diff --git a/img/favicons/addis_ababa_favicon.ico b/img/favicons/addis_ababa_favicon.ico new file mode 100644 index 00000000..213423e1 Binary files /dev/null and b/img/favicons/addis_ababa_favicon.ico differ diff --git a/img/favicons/nist_favicon.ico b/img/favicons/nist_favicon.ico new file mode 100644 index 00000000..213423e1 Binary files /dev/null and b/img/favicons/nist_favicon.ico differ diff --git a/img/favicons/unl_digitalcommons_favicon.ico b/img/favicons/unl_digitalcommons_favicon.ico new file mode 100644 index 00000000..43ea4e71 Binary files /dev/null and b/img/favicons/unl_digitalcommons_favicon.ico differ diff --git a/scrapi/harvesters/addis_ababa.py b/scrapi/harvesters/addis_ababa.py new file mode 100644 index 00000000..f29480b8 --- /dev/null +++ b/scrapi/harvesters/addis_ababa.py @@ -0,0 +1,18 @@ +''' +Harvester for the Addis Ababa University Institutional Repository for the SHARE project + +Example API call: http://etd.aau.edu.et/oai/request?verb=ListRecords&metadataPrefix=oai_dc +''' +from __future__ import unicode_literals + +from scrapi.base import OAIHarvester + + +class AauHarvester(OAIHarvester): + short_name = 'addis_ababa' + long_name = 'Addis Ababa University Institutional Repository' + url = 'http://etd.aau.edu.et' + + base_url = 'http://etd.aau.edu.et/oai/request' + property_list = ['date', 'type', 'identifier', 'setSpec'] + timezone_granularity = True diff --git a/scrapi/harvesters/csuohio.py b/scrapi/harvesters/csuohio.py index eeca0789..2d991ec3 100644 --- a/scrapi/harvesters/csuohio.py +++ b/scrapi/harvesters/csuohio.py @@ -10,7 +10,7 @@ class CsuohioHarvester(OAIHarvester): short_name = 'csuohio' - long_name = 'Cleveland State University’s EngagedScholarship@CSU' + long_name = 'Cleveland State University\'s EngagedScholarship@CSU' url = 'http://engagedscholarship.csuohio.edu' base_url = 'http://engagedscholarship.csuohio.edu/do/oai/' diff --git a/scrapi/harvesters/nist.py b/scrapi/harvesters/nist.py new file mode 100644 index 00000000..3192d2ec --- /dev/null +++ b/scrapi/harvesters/nist.py @@ -0,0 +1,18 @@ +''' +Harvester for the NIST MaterialsData for the SHARE project + +Example API call: https://materialsdata.nist.gov/dspace/oai/request?verb=ListRecords&metadataPrefix=oai_dc +''' +from __future__ import unicode_literals + +from scrapi.base import OAIHarvester + + +class NistHarvester(OAIHarvester): + short_name = 'nist' + long_name = 'NIST MaterialsData' + url = 'https://materialsdata.nist.gov' + + base_url = 'https://materialsdata.nist.gov/dspace/oai/request' + property_list = ['relation', 'rights', 'identifier', 'type', 'date', 'setSpec'] + timezone_granularity = True diff --git a/scrapi/harvesters/unl_digitalcommons.py b/scrapi/harvesters/unl_digitalcommons.py new file mode 100644 index 00000000..b0e99938 --- /dev/null +++ b/scrapi/harvesters/unl_digitalcommons.py @@ -0,0 +1,18 @@ +''' +Harvester for the DigitalCommons@University of Nebraska - Lincoln for the SHARE project + +Example API call: http://digitalcommons.unl.edu/do/oai/?verb=ListRecords&metadataPrefix=oai_dc +''' +from __future__ import unicode_literals + +from scrapi.base import OAIHarvester + + +class UnlHarvester(OAIHarvester): + short_name = 'unl_digitalcommons' + long_name = 'DigitalCommons@University of Nebraska - Lincoln' + url = 'http://digitalcommons.unl.edu' + + base_url = 'http://digitalcommons.unl.edu/do/oai/' + property_list = ['type', 'identifier', 'format', 'date', 'source', 'setSpec'] + timezone_granularity = True diff --git a/tests/vcr/addis_ababa.yaml b/tests/vcr/addis_ababa.yaml new file mode 100644 index 00000000..814e8515 --- /dev/null +++ b/tests/vcr/addis_ababa.yaml @@ -0,0 +1,346 @@ +interactions: +- request: + body: null + headers: + Accept: ['*/*'] + Accept-Encoding: ['gzip, deflate'] + Connection: [keep-alive] + User-Agent: [python-requests/2.4.1 CPython/3.4.3 Linux/3.19.0-33-generic] + method: GET + uri: http://etd.aau.edu.et/oai/request?verb=ListRecords&metadataPrefix=oai_dc&from=2015-10-22T00:00:00Z&until=2015-10-24T00:00:00Z + response: + body: {string: "2015-12-15T17:09:07Z\n http://etd.aau.edu.et/oai/request\n \n \n\ + \
\n oai:10.6.20.92:123456789/8007\n\ + \ 2015-10-22T08:04:27Z\n \ + \ com_123456789_3370\n col_123456789_6034\n\ + \
\n \nRural women\ + \ land rights in Africa: comparative analysis of Ethiopia with selected African\ + \ countries\nBertukan, Tegegn\nProf.\ + \ Wani Lokitari\nRural women, Land right\n\ + This study conducted with the aim of showing status of rural\ + \ women land right in Africa in general with special focus in Ethiopia. It\ + \ addressed the case of Ethiopian rural women by taking the case of rural\ + \ women in Mojana Wodera Woreda, Amhara Regional National State. Thus it posed\ + \ four basic research questions\u1361 how do current Ethiopian land laws positively\ + \ or negatively affect rural women\u201Fs land rights? What land rights do\ + \ rural women enjoy in Ethiopia compared with those enjoyed by rural women\ + \ in Nigeria, Uganda, Rwanda and Mozambique? What are the challenges faced\ + \ by rural women within the remit of their land rights? What is the role of\ + \ customary land laws and the interplay with modern/statutory land laws? In\ + \ order to answer these questions, data was collected from oral and written\ + \ sources. The analysis of these data show rural women in Ethiopia have enjoyed\ + \ legal equality regarding their land rights but there exist implementation\ + \ gaps. In practice rural women are not benefiting at most pertaining to societal\ + \ and institutional failures. It is also true for other African fellows. African\ + \ women share a marginalized and secondary land rights. There are undeniable\ + \ positive way outs like land registration and titling which have brought\ + \ reforms in rural women status with some unwanted drawbacks. Therefore, the\ + \ study recommended abolition of illiteracy, community awareness raising,\ + \ promotion and enforcement of women land right and strengthening government\ + \ task forces.\n2015-10-22T08:04:27Z\n\ + 2015-10-22T08:04:27Z\n2015-06\nThesis\n\ + http://hdl.handle.net/123456789/8007\nen_US\n\ + AAU\n\n\n \n\ + \ \n
\n oai:10.6.20.92:123456789/8008\n\ + \ 2015-10-22T08:21:34Z\n \ + \ com_123456789_3370\n col_123456789_6034\n\ + \
\n \n\"The Role\ + \ of Internal and External Actors in Reshaping the African Nation States:\ + \ the Case of Somalia \"\nNasir, Mohamed\n\ + Mohammed Hassen (PhD)\nEthnic\ + \ contention, Political dynamics\nAfrica has\ + \ been in a state of crises since independence, primarily linked to external\ + \ influences which have social, cultural, economic, and political dimensions.\ + \ The African states, not all, suffered the extreme consequences from unviable\ + \ forms of political rule which criminalized both the state and the economy\ + \ and produced ethnic contention and deeply divided society. The external\ + \ actors are not the only chief architects of the Africa\u201Fs lingering\ + \ conflicts and state failures, but also their local actors in the post-colonial\ + \ age are partially responsible for the political and economic troubles, and\ + \ the frequent state collapse. Somalia, for example, became a victim of internal\ + \ and external actors; while the post-state collapse actors are the tragic,\ + \ violent outcome of gradually deteriorating political dynamics since 1991.\ + \ From the rubble and ruins of the state, self-appointed warlords who struggled\ + \ to rule the country from the barrels of guns, business groups and, later,\ + \ Islamists aspire to power with the influence of external actors, both from\ + \ the region and beyond exacerbated the political instability and economic\ + \ shortcomings which impacted both on the state and the lives of the ordinary\ + \ Somali citizens. \nIn fact, numerous peacebuilding efforts and attempts\ + \ at building a centralized Somali national government have failed due to\ + \ extensive involvement of diverse external actors. Without exception, Somalia\ + \ neighbors, Arab and Western states have been involved in Somalia\u201Fs\ + \ conflict for political and economic reasons. This study, therefore, dismisses\ + \ that the external actors, both from the region and beyond will bring peace\ + \ and stability to Somalia. Therefore, the issue should be considered as a\ + \ Somali issue that has an economic, social, and political impact on the Somalis\ + \ at large, and according to this suggestion, any resolution to the Somalia\ + \ conflict needs indigenous efforts since it affects the internal peace and\ + \ security of the Somali citizens as well as their destiny. Without a unified\ + \ grassroots involvement, it is difficult to foresee a sustainable peace and\ + \ stability in Somalia.\n2015-10-22T08:21:34Z\n\ + 2015-10-22T08:21:34Z\n2015-06\nThesis\n\ + http://hdl.handle.net/123456789/8008\nen_US\n\ + AAU\n\n\n \n\ + \ \n
\n oai:10.6.20.92:123456789/8009\n\ + \ 2015-10-22T09:15:27Z\n \ + \ com_123456789_3370\n col_123456789_6034\n\ + \
\n \nThe challenges\ + \ and prospects of building a developmental state in Africa: a comparative\ + \ study of Botswana and Ethiopia\nMesgna, Gebretensae\n\ + Tesfaye Tafesse(PhD)\nDevelopmental\ + \ state, Colonial African\nLike most human institutions\ + \ \u2013 the family, the village, the city, the state, customs, laws, the\ + \ \u2013 nation \u2013 developmental state was born long before anybody thought\ + \ of naming it.However, it is the success of South East Asian countries in\ + \ the 1970s and 1980s that became its reference point. There has been a wide\ + \ spread skepticism about the prospect for the emergence of viable develop\ + \ mental states on Africa. While acknowledging the multi-dimensional capacity\ + \ weakness of the post-colonial African states as a major source of the continent\u2019\ + s current under development, proponents argue that there is enough reason\ + \ to adopt a developmental state model. Of those countries outside of Asia\ + \ that have recorded phenomenal levels of economic growth, it has been the\ + \ so-called developmental state of Botswana that have performed well. However\ + \ in the Ethiopian contextthe term is increasingly being used only in recent\ + \ times. The interest in constructing a developmental state has its own challenges\ + \ and lack of committed leadership, absence of autono mous and effective bureaucracy,\ + \ ineffective national development planning and social policy and institutional\ + \ capacity deficiency are the major ones in Africa. In Ethiopia, there are\ + \ notable changes brought about by the developmental state model. However,\ + \ when compared to Botswana; a success story in Africa since the 1970s, the\ + \ Ethiopian developmental state encounters many challenges and can draw lessons\ + \ from Botswana. This study explores the challenges and prospects of building\ + \ a developmental state in Africa by comparing Botswana and Ethiopia. was\ + \ born long before anybody thought of naming it.However, it is the success\ + \ of South East Asian countries in the 1970s and 1980s that became its reference\ + \ point. There has been a wide spread skepticism about the prospect for the\ + \ emergence of viable develop mental states on Africa. While acknowledging\ + \ the multi-dimensional capacity weakness of the post-colonial African states\ + \ as a major source of the continent\u2019s current under development, proponents\ + \ argue that there is enough reason to adopt a developmental state model.\ + \ Of those countries outside of Asia that have recorded phenomenal levels\ + \ of economic growth, it has been the so-called developmental state of Botswana\ + \ that have performed well. However in the Ethiopian contextthe term is increasingly\ + \ being used only in recent times. The interest in constructing a developmental\ + \ state has its own challenges and lack of committed leadership, absence of\ + \ autono mous and effective bureaucracy, ineffective national development\ + \ planning and social policy and institutional capacity deficiency are the\ + \ major ones in Africa. In Ethiopia, there are notable changes brought about\ + \ by the developmental state model. However, when compared to Botswana; a\ + \ success story in Africa since the 1970s, the Ethiopian developmental state\ + \ encounters many challenges and can draw lessons from Botswana. This study\ + \ explores the challenges and prospects of building a developmental state\ + \ in Africa by comparing Botswana and Ethiopia.\n2015-10-22T09:15:27Z\n\ + 2015-10-22T09:15:27Z\n2015-06\nThesis\n\ + http://hdl.handle.net/123456789/8009\nen_US\n\ + AAU\n\n\n \n\ + \ \n
\n oai:10.6.20.92:123456789/8010\n\ + \ 2015-10-22T09:28:43Z\n \ + \ com_123456789_3370\n col_123456789_6034\n\ + \
\n \nThe security\ + \ implication of south sudans secession for the horn of africa\n\ + Ibrahim, Kedir\nYasin Mohammed(PhD)\n\ + Civil war, Horn of Africa\nSouth\ + \ Sudan, after more than two decades of civil war, got its independence in\ + \ July 2011. Even though South Sudan seceded from its mother state, its relation\ + \ with the north is yet to be resolved. Today, relations between Khartoum\ + \ and Juba are heavily influenced by the outstanding issues in the 2005 Comprehensive\ + \ Peace Agreement (CPA) which have created obstacles to progress in both the\ + \ Sudan and South Sudan. Important unresolved CPA issues include fair and\ + \ equitable oil revenue-sharing between Sudan and South Sudan, conflict in\ + \ South Kordofan and Blue Niles, and the status of Abyei. Hence, in order\ + \ to maintain peace and security in the region, normalizations of relations\ + \ between the two Sudan is of fundamental importance. The contention of this\ + \ thesis is that the South Sudan secession has several security implications\ + \ for the countries of the Horn of African region. Source of inspiration for\ + \ other would be states (those in demand of secession), an influx of refugees,\ + \ spillover nature of conflicts and renewed bilateral relations are among\ + \ the implications. Through data analysis of primary and secondary sources\ + \ the paper will provide the rationale of the thesis.\n2015-10-22T09:28:43Z\n\ + 2015-10-22T09:28:43Z\n2015-06\nThesis\n\ + http://hdl.handle.net/123456789/8010\nen_US\n\ + AAU\n\n\n \n\ + \ \n
\n oai:10.6.20.92:123456789/8011\n\ + \ 2015-10-22T09:40:00Z\n \ + \ com_123456789_3370\n col_123456789_6034\n\ + \
\n \nThe AU Human\ + \ Right Monitoring Capacity :In The Case of African Peer review Mechanism\n\ + Meseret, Assefa\nProf. Wani Tombe\ + \ Lako\nHuman rights, Pre-colonial\n\ + This thesis assesses the human rights monitoring capacity\ + \ of the AU and the role APRM can play in it. It argues that, in Africa, historical\ + \ evidence suggests a continuing pattern of human rights violations have continued\ + \ by unchecked dictatorial regime. It also seeks to demonstrate that for various\ + \ reasons, the AU has been weak in monitoring of human rights violations.\ + \ This attributes to two main reasons. One, the relative dignity and human\ + \ value enjoyed by African in pre-colonial era became negatively impacted\ + \ by colonialism as an aspect of foreign intervention in Africa. This impact\ + \ has remains with the African leaders. The leaders become ruling the continent\ + \ after colonialism has been characterized as dictators and military leaders\ + \ which apply similar system of their previous colonial masters in violating\ + \ human rights. None of the Heads of State and Government was freely and fairly\ + \ elected. It was virtually the same club of dictators who adopted the African\ + \ Human rights Charter in 1981. \nSecond, the African commission and the\ + \ court are often ineffective because they lack resources and political commitments\ + \ of member states for the protection of human rights. Even at the level of\ + \ the assembly of heads of state, the reports of the African Commission do\ + \ not receive adequate attention or consideration but are often simply adopted\ + \ without due regard to the issues raised. Hitherto, the African system of\ + \ human rights has evolved against the experience of colonialism, dictatorships,\ + \ the failure of administering justice, and reluctance. Africa is still facing\ + \ the long road to promotion and protection of human rights for all Africans.\ + \ Yet within this setting the APRM had anticipated as an opportunity to hold\ + \ African leaders accountable and conceived as it can add value to human rights\ + \ monitoring capacity of African commission. Hence, this assessment is done\ + \ in relation to the work that is being done by APRM and the challenges that\ + \ it has confronted over the years. In assessing the role of the APRM in human\ + \ rights monitoring, this study discharges the importance of peer review and\ + \ investigates the challenges facing it in the field of human rights.\n\ + 2015-10-22T09:40:00Z\n2015-10-22T09:40:00Z\n\ + 2015-06\nThesis\nhttp://hdl.handle.net/123456789/8011\n\ + en_US\nAAU\n\n\ + \n \n \n
\n \ + \ oai:10.6.20.92:123456789/8012\n \ + \ 2015-10-22T09:53:01Z\n \ + \ com_123456789_3370\n col_123456789_3395\n\ + \
\n \n\" Reconstructing\ + \ Food Systems from the Late Holocene Context of Mochena Borrego Rock shelter,\ + \ Wolayta, Southern Ethiopia \"\nMedhanit, Tamerat\n\ + Alemseged Beldados (PhD)\nCultural\ + \ sequence, Ecological history\nMochena Borago\ + \ rock shelter is a very rich archaeological site with one of the most \n\ + complete late Pleistocene cultural sequence in the Horn of Africa. Despite\ + \ the rich \ncultural sequence, the pre-history and historic period of\ + \ human and plant interaction and \necological history of this site are\ + \ poorly documented and reconstructed. The objective of \nthis study was\ + \ to reconstruct food systems of the ancient inhabitants of Mochena Borago \n\ + rock shelter in the Late Holocene period. Archaeobotanical investigation was\ + \ conducted \non a 27 soil sample bags of 2000 and 2001 French Field seasons\ + \ at the Laboratory of the \nARCCH (Authority for Research and Conservation\ + \ of Cultural Heritage).For the better \ninterpretation of the archaeaobotanical\ + \ materials and data, ethnoarcheological studies \nwere undertaken in\ + \ the five Kebeles of Sodo Zurea Woreda. Based on this, a total of 64 \n\ + plant spices were documented and 112 seeds and fruit stones were identified\ + \ by the \nArchaeobotanical investigation which included Sapindaceae cf.\ + \ Deinbollia type (n=55), \nMyrtaceae cf. Syzigium guineense type (n=33),\ + \ Plectranthus edulis (n=9), \nEuphorbiaceae Croton sp. (n=7), Cordia\ + \ cf. africana (n=2), Ebenaceae cf. Diospyros \n(n=1), Olea europaea sub\ + \ sp. cuspidate (n=1) and the rest four were unidentified. The \nethnobotanical\ + \ documentation reveled that five plant types that were used as food, \n\ + medicine and raw materials to be similar with the plants recovered by Archaeobotanical \n\ + investigation. Among the identified botanical remains, Plectranthus edulis\ + \ which is an \nindigenous crop for the study area, Cordia cf.africana\ + \ and Olea europaea sub sp. \ncusipdata are reported for the first time\ + \ in archaeobotanical context in the whole region \nof Ethiopia.\n\ + 2015-10-22T09:53:01Z\n2015-10-22T09:53:01Z\n\ + 2015-06\nThesis\nhttp://hdl.handle.net/123456789/8012\n\ + en_US\nAAU\n\n\ + \n \n \n
\n \ + \ oai:10.6.20.92:123456789/8013\n \ + \ 2015-10-22T10:05:09Z\n \ + \ com_123456789_3370\n col_123456789_3395\n\ + \
\n \n\" Techno-Typological\ + \ Analysis of \u201CDeveloped Old wan\u201D/Early Acheulean Assemblages from\ + \ Garb IV Levels C and D, Melaka Kunture (Upper Awash), Ethiopia. \"\n\ + Niguss, Gitaw\nAlemseged Beldados\ + \ (Ph.D)\nStone Age, Developed Oldowan\n\ + This thesis conceives of an analysis of Early Stone Age collections\ + \ from Melka Kunture, \nparticularly at Garba IV levels C and D. They\ + \ were excavated between 1972 to 1985 and are \ntoday stored at the Authority\ + \ for Research and Conservation of Cultural Heritage. In spite of \nongoing\ + \ researches conducted at these localities, raw material influence on the\ + \ knapping process \nof the knappers and the technological features of\ + \ the previously nominated artifact traditions \ncalled \u201CDeveloped\ + \ Oldowan\u201D is poorly understood. Methodologies like typological \n\ + classification, measurement of the technological axis, width, depth and so\ + \ forth, identification of \nraw material, understanding of thickness\ + \ evennes along the technological line of artifacts were \nemployed to\ + \ address the problem. The production techniques were influenced by the type\ + \ of raw \nmaterial. Although large flake productions are not large in\ + \ number, their appearance is an \nessential indicator about the emergence\ + \ of the Acheulean. The low number of Large Cutting \nTools is determined\ + \ by the original size of the unworked material. On account of this, not only \n\ + frequency of Large Cutting Tools, but also understanding various technological\ + \ innovations of \nan artifact has been found to be important in characterizing\ + \ Early Acheulean site. Therefore, the \nartifact tradition called \u201C\ + Developed Oldowan\u201D was not understood to be independet \ntechnologicaly.\ + \ It, rather, bears an evidence of technological similarities with the Early \n\ + Acheulean.\n2015-10-22T10:05:09Z\n2015-10-22T10:05:09Z\n\ + 2015-06\nThesis\nhttp://hdl.handle.net/123456789/8013\n\ + en_US\nAAU\n\n\ + \n \n \n
\n \ + \ oai:10.6.20.92:123456789/8014\n \ + \ 2015-10-22T10:19:10Z\n \ + \ com_123456789_3370\n col_123456789_3667\n\ + \
\n \n\" The Role\ + \ of Agricultural Cooperatives in Building Sustainable Livelihood for Rural\ + \ Women: A Case Study of Women Members of Garagodo & Hembecho Cooperatives,\ + \ Bolloso Sore Woreda, Wolaita Zone, SNNPR \"\nMuluken,\ + \ Tamirat\nTaye Nigussie (PhD)\n\ + Rural women, Livelihood\nThe study\ + \ on the Role of Agricultural Marketing Cooperative in Building Sustainable\ + \ Livelihood for rural women in the case of Garagodo and Hembecho primary\ + \ agricultural cooperative attempted to analyse the contribution of primary\ + \ agricultural cooperative in enabling women to build sustainable livelihood\ + \ which is capable of coping with and recover from vulnerability. \nThe\ + \ main objective of the study was to assess the role of primary agricultural\ + \ cooperatives in enabling women to cope with stresses and shocks through\ + \ building sustainable livelihood. By using the sustainable livelihood framework\ + \ adopted from DFID (199), the study tried to illustrate how the cooperatives\ + \ as transforming structure enabled women to build sustainable livelihood\ + \ by accessing livelihood capitals. \nThe study employed approximating\ + \ longitudinal survey as research design. It also employed both quantitative\ + \ and qualitative methods of data collection and analysis. The quantitative\ + \ method of data collection employed survey method and the qualitative method\ + \ of data collection employed in-depth interview, FGD, and observation methods.\ + \ Using the methods, primary data was collected from sample members of the\ + \ cooperatives, centrally placed officials from marketing and cooperative\ + \ development offices and managerial bodies of the cooperative enterprises.\ + \ Simple random sampling technique was employed so as to select sample respondents\ + \ of the study. \nThe finding of the study has revealed that the cooperatives\ + \ provided women with various services including supply of agricultural inputs,\ + \ credit services, marketing of agricultural input and output. Access to these\ + \ services in turn enabled women to improve their productivity, augment their\ + \ income, and build livelihood assets which are capable of withstanding risks\ + \ and shocks. Despite these benefits it yielded to women, the cooperative\ + \ encountered various problems that hampered the potential benefit of women,\ + \ which calls for the due attention of concerned bodies.\n\ + 2015-10-22T10:19:10Z\n2015-10-22T10:19:10Z\n\ + 2015-06\nThesis\nhttp://hdl.handle.net/123456789/8014\n\ + en_US\nAAU\n\n\ + \n \n \n\n"} + headers: + Content-Type: [application/xml] + Date: ['Tue, 15 Dec 2015 22:09:07 GMT'] + Server: [Apache-Coyote/1.1] + status: {code: 200, message: OK} +version: 1 diff --git a/tests/vcr/nist.yaml b/tests/vcr/nist.yaml new file mode 100644 index 00000000..95b0277d --- /dev/null +++ b/tests/vcr/nist.yaml @@ -0,0 +1,1323 @@ +interactions: +- request: + body: null + headers: + Accept: ['*/*'] + Accept-Encoding: ['gzip, deflate'] + Connection: [keep-alive] + User-Agent: [python-requests/2.4.1 CPython/3.4.3 Linux/3.19.0-33-generic] + method: GET + uri: https://materialsdata.nist.gov/dspace/oai/request?verb=ListRecords&metadataPrefix=oai_dc&from=2015-10-22T00:00:00Z&until=2015-10-24T00:00:00Z + response: + body: {string: "2015-12-15T19:35:19Zhttps://materialsdata.nist.gov/dspace/oai/request
oai:materialsdata.nist.gov:11256/4442015-10-22T17:01:25Zcom_11256_103col_11256_104
\nBIOVIA Materials\ + \ Studio\n\nmodeling\n\ + morphology\nsimulation\n\ + material science\nThe Materials Studio\ + \ modeling environment supports predictions and investigations of materials'\ + \ structure-property relationships. The modeling environment includes solution\ + \ methods for quantum, atomistic, mesoscale, and statistical methods for evaluating\ + \ various particle sizes and time scales. Crystal structure and growth evaluations\ + \ are also supported.\n2015-10-21T22:51:19Z\n\ + 2015-10-21T22:51:19Z\nMultiple\nhttp://hdl.handle.net/11256/444\n\ + Eng\n5.5.2\nCopyright\ + \ Dassault Syst\xE8mes\nDassault Syst\xE8mes\n\ + \n
oai:materialsdata.nist.gov:11256/4452015-10-23T01:00:45Zcom_11256_103col_11256_104
\nABINIT\n\ + materials science\nhttp://www.abinit.org/doc\n\ + ABINIT is a package whose main program allows one to find\ + \ the total energy, charge density and electronic structure of systems made\ + \ of electrons and nuclei (molecules and periodic solids) within Density Functional\ + \ Theory (DFT), using pseudopotentials and a planewave or wavelet basis. ABINIT\ + \ also includes options to optimize the geometry according to the DFT forces\ + \ and stresses, or to perform molecular dynamics simulations using these forces,\ + \ or to generate dynamical matrices, Born effective charges, and dielectric\ + \ tensors, based on Density-Functional Perturbation Theory, and many more\ + \ properties. Excited states can be computed within the Many-Body Perturbation\ + \ Theory (the GW approximation and the Bethe-Salpeter equation), and Time-Dependent\ + \ Density Functional Theory (for molecules). In addition to the main ABINIT\ + \ code, different utility programs are provided.\n2015-10-21T22:51:21Z\n\ + 2015-10-21T22:51:21Z\nDFT\nhttp://hdl.handle.net/11256/445\n\ + Eng\n7.1\nABINIT\ + \ : first-principles approach to material and nanosystem properties X. Gonze,\ + \ B. Amadon, P.M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval,\ + \ D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, Ph. Ghosez, M.\ + \ Giantomassi, S. Goedecker, D. Hamann, P. Hermet, F. Jollet, G. Jomard, S.\ + \ Leroux, M. Mancini, S. Mazevet, M.J.T. Oliveira, G. Onida, Y. Pouillon,\ + \ T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M.J. Verstraete,\ + \ G. Z\xE9rah, J.W. Zwanziger. Computer Physics Communications 180, 2582-2615\ + \ (2009). A version of this paper, that is not formatted for Computer Phys.\ + \ Comm. is available at http://www.abinit.org/about/ABINIT_CPC_v10.pdf\n\ + A brief introduction to the ABINIT software package, X. Gonze,\ + \ G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F.\ + \ Jollet, M. Torrent, G. Zerah, M. Mikami, Ph. Ghosez, M. Veithen, J.-Y. Raty,\ + \ V. Olevano, F. Bruneval, L. Reining, R. Godby, G. Onida, D.R. Hamann, and\ + \ D.C. Allan. Zeit. Kristallogr. 220, 558-562 (2005).\nFirst-principles\ + \ computation of material properties : the ABINIT software project. X. Gonze,\ + \ J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic,\ + \ M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez,\ + \ J.-Y. Raty, D.C. Allan. Computational Materials Science 25, 478-492 (2002).\n\ + Copyright The ABINIT Group\nThe ABINIT\ + \ Group\n\n
oai:materialsdata.nist.gov:11256/4462015-10-23T01:04:26Zcom_11256_103col_11256_104
\nADF - molecular\ + \ modeling suite\nmodeling\nactinides\n\ + petrochemistry\nnanomaterials\n\ + organic electronics\nphotovoltaics\n\ + spectroscopic properties\nmaterials science\n\ + http://www.scm.com/Doc/Doc2014/\nModel\ + \ molecules, surfaces and bulk with fast & accurate DFT or semi-empirical\ + \ (MOPAC, DFTB) methods and study the reactivity in large, complex systems\ + \ (ReaxFF) with the ADF modeling suite. A single integrated GUI ensures facile\ + \ set up and analysis of electronic and atomistic simulations across the range\ + \ of methods and sizes.\n2015-10-21T22:51:21Z\n\ + 2015-10-21T22:51:21Z\nDFT\nhttp://hdl.handle.net/11256/446\n\ + Eng\nadf2014.08\nCopyright\ + \ SCM\nSCM - Scientific Computing & Modelling\n\ + \n
oai:materialsdata.nist.gov:11256/4472015-10-23T00:56:01Zcom_11256_103col_11256_104
\nAIMPRO\n\ + modeling\nmaterials science\n\ + AIMPRO is \"a modelling technique for calculating the structural,\ + \ electrical, optical and mechanical properties of molecules. Techniques such\ + \ as AIMPRO are used to study Defect Engineering, which relates to the use\ + \ of quantum-chemical methods to analyse dopants and other defects in crystalline\ + \ materials to predict their optical, electronic and other properties.\" (from\ + \ http://www.ncl.ac.uk/eee/research/groups/etm/etm-comp.htm)\n\ + 2015-10-21T22:51:22Z\n2015-10-21T22:51:22Z\n\ + DFT\nhttp://hdl.handle.net/11256/447\n\ + Eng\n2.1.4\nhttp://aimpro.ncl.ac.uk/publications/aimpro_references.html\n\ + Copyright University of Newcastle upon Tyne, UK\nNew\ + \ Castle University\n\n
oai:materialsdata.nist.gov:11256/4482015-10-23T00:58:50Zcom_11256_103col_11256_104
\nAnyCasting\n\ + simulation\nmaterials science\n\ + http://anycastsoftware.com/eng/customer/faq_list.asp?bbs_code=14\n\ + \"AnyCasting is an analysis program designed exclusively for\ + \ casting processes.\" The program predicts filling times, solidification\ + \ patterns, casting defects, etc. with speed and accuracy. AnyCasting also\ + \ predicts final microstructure and mechanical properties.\n\ + 2015-10-21T22:51:22Z\n2015-10-21T22:51:22Z\n\ + http://hdl.handle.net/11256/448\nEng\n\ + Jpn\nKor\nChi\n\ + 6.1\nCOPYRIGHT (C)ANYCASTING.CO.,LTD.\ + \ ALL RIGHTS RESERVED\nAnyCasting.CO LTD\n\ + \n
oai:materialsdata.nist.gov:11256/4492015-10-23T00:57:43Zcom_11256_103col_11256_104
\nAtomic Pseudopotentials\ + \ Engine\nmaterials science\nAPE\ + \ (Atomic Pseudopotential Engine) is a tool for generating atomic pseudopotentials\ + \ within a Density-Functional Theory framework. It is distributed under the\ + \ GPL and it produces pseudopotential files suitable for use with SIESTA,\ + \ OCTOPUS, ABINIT, and PWscf.\n2015-10-21T22:51:22Z\n\ + 2015-10-21T22:51:22Z\nDFT\nhttp://hdl.handle.net/11256/449\n\ + Eng\n2.2.1\nM.\ + \ Oliveira and F. Nogueira, Comput. Phys. Comm. 178, 524 (2008). doi:10.1016/j.cpc.2007.11.003\n\ + None stated\nCentro de F\xEDsica Computacional\ + \ Universidade de Coimbra\n\n
oai:materialsdata.nist.gov:11256/4502015-10-23T00:54:00Zcom_11256_103col_11256_104
\nATOMPAW\n\ + materials science\n\"The computer\ + \ program atompaw generates projector and basis functions which are needed\ + \ for performing electronic structure calculations based on the Projector\ + \ Augmented Wave (PAW) method. The program is applicable to materials throughout\ + \ the periodic table. For each element, the user inputs the atomic number,\ + \ the electronic configuration, a choice of basis functions, and an augmentation\ + \ radius. The program produces an output file containing the projector and\ + \ basis functions and the corresponding matrix elements in a form which can\ + \ be read be the pwpaw PAW code. Additional data files are also produced which\ + \ can be used to help evaluate the accuracy and efficiency of the generated\ + \ functions.\" from: http://dx.doi.org/10.1016/S0010-4655(00)00244-7\n\ + 2015-10-21T22:51:22Z\n2015-10-21T22:51:22Z\n\ + http://hdl.handle.net/11256/450\nEng\n\ + 4.0.0.12\nA Projector Augmented Wave\ + \ (PAW) code for electronic structure calculations, Part I: atompaw for generating\ + \ atom-centered functions Computer Physics Communications 135 329-347 (2001)\ + \ doi:10.1016/S0010-4655(00)00244-7\nnone stated\n\ + Wake Forrest University\n\n
oai:materialsdata.nist.gov:11256/4512015-10-23T00:50:39Zcom_11256_103col_11256_104
\nAvizo 3D Software\n\ + visualization\nmaterials science\n\ + http://www.fei.com/software/avizo-3d-user-guide.pdf\n\ + Avizo is a 3D analysis software for scientific and industrial\ + \ data. Wherever three-dimensional imaging data sets need to be processed,\ + \ in materials science, geosciences or engineering applications, Avizo offers\ + \ abundant state-of-the-art image data processing, exploration and analysis\ + \ features within an intuitive workflow and easy-to-use graphical user interface.\n\ + 2015-10-21T22:51:23Z\n2015-10-21T22:51:23Z\n\ + http://hdl.handle.net/11256/451\nEng\n\ + 9\nCopyright FEI\nFEI\n\ + \n
oai:materialsdata.nist.gov:11256/4522015-10-23T00:39:15Zcom_11256_103col_11256_104
\nBigDFT\n\ + materials science\nhttp://bigdft.org/Wiki/index.php?title=BigDFT_manual\n\ + BigDFT is an ab initio code based on Daubechies wavelets.\n\ + 2015-10-21T22:51:23Z\n2015-10-21T22:51:23Z\n\ + DFT\nhttp://hdl.handle.net/11256/452\n\ + Eng\n1.7.7\nJournal\ + \ of Chemical Physics, 129 014109 (2008), L. Genovese, A. Neelov, S. Goedecker,\ + \ T. Deutsch, S. A. Ghasemi, A. Willand, D. Caliste, O. Zilberberg, M. Rayson,\ + \ A. Bergman and R. Schneider, \"Daubechies wavelets as a basis set for density\ + \ functional pseudopotential calculations\". Journal of Chemical Physics,\ + \ 140 204110 (2014), S. Mohr, L. E. Ratcliff, P. Boulanger, L. Genovese, D.\ + \ Caliste, T. Deutsch, and S. Goedecker, \"Daubechies wavelets for linear\ + \ scaling density functional theory\".\nCC Attribution\n\ + None listed\n\n
oai:materialsdata.nist.gov:11256/4532015-10-23T00:52:26Zcom_11256_103col_11256_104
\nCambridge Analytic\ + \ Derivatives Package (CADPAC)\nCategory\n\ + http://www-theor.ch.cam.ac.uk/software/caddoc.html\n\ + CADPAC, the Cambridge Analytic Derivatives Package, is a suite\ + \ of programs for ab initio computational chemistry calculations. *This software\ + \ is no longer supported.*\n2015-10-21T22:51:23Z\n\ + 2015-10-21T22:51:23Z\nDFT\nHartree\ + \ Fock Method\nhttp://hdl.handle.net/11256/453\n\ + Eng\n6\nNone\ + \ stated\nCambridge University\n\ + \n
oai:materialsdata.nist.gov:11256/4542015-10-23T00:49:36Zcom_11256_103col_11256_104
\nEKKcapcast\n\ + casting\nsimulation\nmaterials\ + \ science\nEKK\uFFFDs Finite Element Method (FEM)\ + \ based EKKcapcast software includes Solidification, Thermal , Fluid flow,\ + \ Stress and Porosity analysis tools which can accurately identify your casting\ + \ defects and help you optimize your casting process. A complete casting simulation\ + \ software package that includes autiomated finite element mesh generation,\ + \ fluid flow, solidification, stress and porosity processing capabilities\ + \ to optimize the casting process.\n2015-10-21T22:51:23Z\n\ + 2015-10-21T22:51:23Z\nFEM\nhttp://hdl.handle.net/11256/454\n\ + Eng\nJpn\n\nCopyright EKK, Inc.\nEKK Inc\n\ + \n
oai:materialsdata.nist.gov:11256/4552015-10-23T00:48:17Zcom_11256_103col_11256_104
\nCASTEP\n\ + materials science\nhttp://www.castep.org/CASTEP/ForUsers\n\ + CASTEP is a full-featured materials modelling code based on\ + \ a first-principles quantum mechanical description of electrons and nuclei.\ + \ It uses the robust methods of a plane-wave basis set and pseudopotentials.\n\ + 2015-10-21T22:51:23Z\n2015-10-21T22:51:23Z\n\ + DFT\nhttp://hdl.handle.net/11256/455\n\ + Eng\n8\n\"\ + First principles methods using CASTEP\", Zeitschrift fuer Kristallographie\ + \ 220(5-6) pp. 567-570 (2005) S. J. Clark, M. D. Segall, C. J. Pickard, P.\ + \ J. Hasnip, M. J. Probert, K. Refson, M. C. Payne\nNone\ + \ stated\nMatthew Segall\n\n\ +
oai:materialsdata.nist.gov:11256/4562015-10-23T00:34:14Zcom_11256_103col_11256_104
\nCATIA\n\ + materials science\nhttp://www.3ds.com/products-services/catia#communities\n\ + CATIA offers, through a multidisciplinary approach, a full\ + \ spectrum of design capabilities that enables efficient collaboration to\ + \ encourage innovation across the extended enterprise. The CATIA product suite\ + \ includes: CATIA Systems Architecture, CATIA Design, CATIA Engineering, CATIA\ + \ Systems Engineering, and CATIA Product Experience.\n2015-10-21T22:51:24Z\n\ + 2015-10-21T22:51:24Z\nhttp://hdl.handle.net/11256/456\n\ + Eng\nNone stated\nCopyright\ + \ Dassault Syst\xE8mes\nDassault Syst\xE8mes\n\ + \n
oai:materialsdata.nist.gov:11256/4572015-10-23T00:37:59Zcom_11256_103col_11256_104
\nCOMPRO Simulation\ + \ Software\nsimulation\nmaterials\ + \ science\nCOMPRO facilitates the analysis of\ + \ complex composite structures and allow: prediction of deformations and recommendations\ + \ for tool compensation, calculation of residual stresses in composite structures,\ + \ simulation of hybrid composite behavior, and simulation of composite reactions\ + \ to processing.\n2015-10-21T22:51:24Z\n\ + 2015-10-21T22:51:24Z\nFEM\nhttp://hdl.handle.net/11256/457\n\ + Eng\n\nCopyright Convergent\ + \ Manufacturing Technologies Inc\nConvergent Manufacturing\ + \ Technologies Inc\n\n
oai:materialsdata.nist.gov:11256/4582015-10-23T00:35:50Zcom_11256_103col_11256_104
\nCP2K\n\ + molecular dynamics\nmetadynamics\n\ + Quantum Monte Carlo\nEhrenfest dynamics\n\ + vibrational analysis\ncore level spectroscopy\n\ + energy minimization\nmaterials science\n\ + http://www.cp2k.org/\nCP2K\ + \ is a quantum chemistry and solid state physics software package that can\ + \ perform atomistic simulations of solid state, liquid, molecular, periodic,\ + \ material, crystal, and biological systems. CP2K provides a general framework\ + \ for different modeling methods such as DFT using the mixed Gaussian and\ + \ plane waves approaches GPW and GAPW. Supported theory levels include DFTB,\ + \ LDA, GGA, MP2, RPA, semi-empirical methods (AM1, PM3, PM6, RM1, MNDO, \u2026\ + ), and classical force fields (AMBER, CHARMM, \u2026). CP2K can do simulations\ + \ of molecular dynamics, metadynamics, Quantum Monte Carlo, Ehrenfest dynamics,\ + \ vibrational analysis, core level spectroscopy, energy minimization, and\ + \ transition state optimization using NEB or dimer method. CP2K is written\ + \ in Fortran 2003 and can be run efficiently in parallel using a combination\ + \ of multi-threading, MPI, and CUDA. It is freely available under the GPL\ + \ license. It is therefore easy to give the code a try, and to make modifications\ + \ as needed.\n2015-10-21T22:51:24Z\n2015-10-21T22:51:24Z\n\ + DFT\nhttp://hdl.handle.net/11256/458\n\ + Eng\n2.6\nhttp://manual.cp2k.org/trunk/references.html\n\ + None stated\nCP2K\n\n\ +
oai:materialsdata.nist.gov:11256/4592015-10-23T00:24:14Zcom_11256_103col_11256_104
\nCPMD\n\ + materials science\nhttp://cpmd.org/documentation\n\ + The CPMD code is a parallelized plane wave / pseudopotential\ + \ implementation of Density Functional Theory, particularly designed for ab-initio\ + \ molecular dynamics.\n2015-10-21T22:51:25Z\n\ + 2015-10-21T22:51:25Z\nDFT\nhttp://hdl.handle.net/11256/459\n\ + Eng\n4.1\nCopyright\ + \ IBM Corporation and Max-Planck Institut, Stuttgart.\nCPMD\ + \ Consortium\n\n
oai:materialsdata.nist.gov:11256/4602015-10-22T18:15:41Zcom_11256_103col_11256_104
\nDL Visualize\n\ + Category\nhttp://www.cse.clrc.ac.uk/cmg/DLV/v3/doc/index.html\n\ + The current release features an interface to the ab-initio\ + \ periodic Hartree-Fock/DFT software package, CRYSTAL, the EXAFS analysis\ + \ program DL_EXCURV, GULP v3 and the SXRD package ROD. DLV provides the ability\ + \ to construct and visualize crystals, surfaces and molecules. The graphical\ + \ user interface to CRYSTAL provides a simply and intuitive method of setting\ + \ up input decks, and provides a powerful method of analysing the wavefunctions\ + \ generated by CRYSTAL and hence of calculating associated properties. The\ + \ code also provides a simple method of generating LEED patterns from complex\ + \ surfaces and can provide both single domain and multiple domain patterns.\n\ + 2015-10-21T22:51:25Z\n2015-10-21T22:51:25Z\n\ + DFT\nHartree Fock Method\nhttp://hdl.handle.net/11256/460\n\ + Eng\n3.3\nB.G.\ + \ Searle, Computer Physics Communications, 137, p. 25 (2001)\n\ + Copyright Daresbury Laboratory\nNone\ + \ listed\n\n
oai:materialsdata.nist.gov:11256/4612015-10-22T18:16:31Zcom_11256_103col_11256_104
\nDACAPO\n\ + \nhttps://wiki.fysik.dtu.dk/dacapo/Manual\n\ + This tool performs calculations for Local Density Approximation\ + \ (LDA) and Generalized Gradient Approximation (GGA) exchange-correlations\ + \ potentials as well as various molecular dynamics calculations. Dacapo is\ + \ a total energy program based on density functional theory. It uses a plane\ + \ wave basis for the valence electronic states and describes the core-electron\ + \ interactions with Vanderbilt ultrasoft pseudo-potentials. Calculations using\ + \ dacapo are done using the Atomic Simulation Environment (ASE). <<https://wiki.fysik.dtu.dk/ase/>>\n\ + 2015-10-21T22:51:25Z\n2015-10-21T22:51:25Z\n\ + DFT\nhttp://hdl.handle.net/11256/461\n\ + Eng\nNone stated\nNone\ + \ stated\nDTU Technical University of Denmark\n\ + \n
oai:materialsdata.nist.gov:11256/4622015-10-23T00:32:53Zcom_11256_103col_11256_104
\nDante\n\ + materials science\nDANTE enables\ + \ predition of the effects of chemistry and process variables on hardness,\ + \ residual stress state, metallurgical phase distribution, and dimensions.\n\ + 2015-10-21T22:51:25Z\n2015-10-21T22:51:25Z\n\ + http://hdl.handle.net/11256/462\nEng\n\ + None stated\nCopyright DANTE Solutions\n\ + DANTE Solutions\n\n
oai:materialsdata.nist.gov:11256/4632015-10-22T18:17:03Zcom_11256_103col_11256_104
\nUltraSoft PseudoPotential\n\ + \nhttp://www.physics.rutgers.edu/~dhv/uspp/\n\ + A DFT atomic pseudopotential code developed by David Vanderbilt\ + \ at Rutgers University.\n2015-10-21T22:51:25Z\n\ + 2015-10-21T22:51:25Z\nDFT\nhttp://hdl.handle.net/11256/463\n\ + Eng\n7.3.6\nDavid\ + \ Vanderbilt, ``Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue\ + \ Formalism,'' Phys. Rev. B 41 (Rapid Communications), 7892 (1990).\n\ + Kari Laasonen, Roberto Car, Changyol Lee, and David Vanderbilt,\ + \ ``Implementation of Ultra-Soft Pseudopotentials in Ab-initio Molecular Dynamics,''\ + \ Phys. Rev. B 43 (Rapid Communications), 6796 (1991).\nKari\ + \ Laasonen, Alfredo Pasquarello, Changyol Lee, Roberto Car, and David Vanderbilt,\ + \ ``Car-Parrinello Molecular Dynamics with Vanderbilt's Ultrasoft Pseudopotentials,''\ + \ Phys. Rev. B 47, 10142 (1993).\nNone stated\n\ + Rutgers University\n\n
oai:materialsdata.nist.gov:11256/4642015-10-23T00:31:34Zcom_11256_103col_11256_104
\nDEFORM\n\ + materials science\nDEFORM is a suite\ + \ of programs designed to analyze metal forming, heat treatment, machining\ + \ and mechanical joining processes.\n2015-10-21T22:51:25Z\n\ + 2015-10-21T22:51:25Z\nhttp://hdl.handle.net/11256/464\n\ + Eng\nNone stated\nCopyright\ + \ Scientific Forming Technologies Corporation\nScientific\ + \ Forming Technologies Corporation\n\n
oai:materialsdata.nist.gov:11256/4652015-10-22T18:11:30Zcom_11256_103col_11256_104
\ndeMon\n\ + \nhttp://www.demon-software.com/public_html/support.html#manual\n\ + deMon (density of Montr\xE9al) is a software package for density\ + \ functional theory (DFT) calculations. It uses the linear combination of\ + \ Gaussian-type orbital (LCGTO) approach for the self-consistent solution\ + \ of the Kohn-Sham (KS) DFT equations. The calculation of the four-center\ + \ electron repulsion integrals is avoided by introducing an auxiliary function\ + \ basis for the variational fitting of the Coulomb potential.\n\ + 2015-10-21T22:51:26Z\n2015-10-21T22:51:26Z\n\ + DFT\nhttp://hdl.handle.net/11256/465\n\ + Eng\n3.0.6\nA.M.\ + \ Koster, G. Geudtner, P. Calaminici, M.E. Casida, V.D. Dominguez, R. Flores-Moreno,\ + \ G.U. Gamboa, A. Goursot, T. Heine, A. Ipatov, F. Janetzko, J.M. del Campo,\ + \ J. U. Reveles, A. Vela, B. Zuniga-Gutierrez and D.R. Salahub, deMon2k, Version\ + \ 3, The deMon developers, Cinvestav, Mexico City (2011).\n\ + None stated\nNone listed\n\ + \n
oai:materialsdata.nist.gov:11256/4662015-10-22T18:12:53Zcom_11256_103col_11256_104
\nDICTRA\n\ + CALPHAD\n\nhttp://www.thermocalc.com/support/documentation/\n\ + DICTRA is an add-on module to Thermo-Calc for the accurate\ + \ simulation of diffusion controlled reactions in multicomponent alloy systems.\ + \ DICTRA is based on the numerical solution of the multicomponent diffusion\ + \ equations and the CALPHAD approach.\n2015-10-21T22:51:26Z\n\ + 2015-10-21T22:51:26Z\nhttp://hdl.handle.net/11256/466\n\ + Eng\n2015a\nhttp://www.thermocalc.com/media/30975/dictra_references_20150609.pdf\n\ + Copyright Thermo-Calc Software\nThermo-Calc\ + \ Software AB\n\n
oai:materialsdata.nist.gov:11256/4672015-10-22T18:10:56Zcom_11256_103col_11256_104
\nDREAM.3D\n\ + Electron back-scatter diffraction\nSynthetic\ + \ microstructure; HDF5\n3D Microstructure reconstruction\n\ + Programming library\nOpen-source\n\ + \nDREAM3D allows users to reconstruct and analyze\ + \ 3D microstructures from a variety of sources including EBSD data (TSL &\ + \ Oxford Instruments) and synthetically generated sources. In addition, the\ + \ program allows the user to create statistically equivalent microstructures\ + \ using data from real world materials or through user generated statistics.\n\ + 2015-10-21T22:51:26Z\n2015-10-21T22:51:26Z\n\ + http://hdl.handle.net/11256/467\nEng\n\ + 6.1.77\nCopryight DREAM.3D\n\ + DREAM.3D\n\n
oai:materialsdata.nist.gov:11256/4682015-10-22T18:12:14Zcom_11256_103col_11256_104
\nELK\n\ + Category\nhttp://elk.sourceforge.net/#documentation\n\ + ELK is an all-electron full-potential linearised augmented-plane\ + \ wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universit\xE4\ + t Graz as a milestone of the EXCITING EU Research and Training Network, the\ + \ code is designed to be as simple as possible so that new developments in\ + \ the field of density functional theory (DFT) can be added quickly and reliably.\n\ + 2015-10-21T22:51:26Z\n2015-10-21T22:51:26Z\n\ + DFT\nhttp://hdl.handle.net/11256/468\n\ + Eng\n3.1.12\nNone\ + \ stated\nMax Plank Institute\n\n\ +
oai:materialsdata.nist.gov:11256/4692015-10-22T18:09:56Zcom_11256_103col_11256_104
\nEngineering\ + \ Virtual Organization for CyberDesign\n\ncyberinfrastructure\n\ + data portals\n\n\"\ + The Engineering Virtual Organization for CyberDesign (EVOCD, https://icme.hpc.msstate.edu)\ + \ is dedicated to the accumulation of the \u201Cintellectual capital\u201D\ + \ pertaining to ICME. In fact, it is the organization\u2019s capital that\ + \ attracts community participation. There are three critical aspects to the\ + \ process of accumulating capital in order to create a relevant organization:\ + \ (1) protection of intellectual property, (2) quality assurance of information,\ + \ and (3) the management of complexity. In a competitive environment in which\ + \ materials research and development is performed, protection of the intellectual\ + \ property is imperative. While the information meant for public consumption\ + \ must be clearly attributed to its creators, the innovative research may\ + \ require a restriction of information (e.g., pre-publication or proprietary\ + \ data) exchange to only a narrow group of collaborators. The VO must support\ + \ the former and enforce the latter. Quality assurance of the information\ + \ must include its pedigree and then its validation, followed with approval\ + \ by either a curator or a peer-review process. The management of complexity\ + \ implies that the information must be easily navigable through intuitive\ + \ interfaces, yet all complexity of the underlying infrastructure must be\ + \ hidden from the end user. Furthermore, the information must be understandable\ + \ to students and directly and efficiently accessible to practitioners.\"\ + \ https://icme.hpc.msstate.edu/mediawiki/index.php/About_EVOCD This is a catalog\ + \ of data and software related to materials research at every scale.\n\ + 2015-10-21T22:51:26Z\n2015-10-21T22:51:26Z\n\ + http://hdl.handle.net/11256/469\nEng\n\ + N/A\nCopyright Mississippi State University\n\ + Center for Advanced Vehicular Systems (CAVS) at Mississippi\ + \ State University\n\n
oai:materialsdata.nist.gov:11256/4702015-10-22T18:03:46Zcom_11256_103col_11256_104
\nexciting\n\ + https://aimsclub.fhi-berlin.mpg.de/index.php\nhttp://exciting-code.org/\n\ + exciting is a full-potential all-electron density-functional-theory\ + \ package implementing the families of linearized augmented planewave methods.\ + \ It can be applied to all kinds of materials, irrespective of the atomic\ + \ species involved, and also allows for exploring the physics of core electrons.\ + \ A particular focus are excited states within many-body perturbation theory.\n\ + 2015-10-21T22:51:27Z\n2015-10-21T22:51:27Z\n\ + DFT\nhttp://hdl.handle.net/11256/470\n\ + Eng\nBoron\nA.\ + \ Gulans, S. Kontur, C. Meisenbichler, D. Nabok, P. Pavone, S. Rigamonti,\ + \ S. Sagmeister, U. Werner, and C. Draxl, \"exciting \u2014 a full-potential\ + \ all-electron package implementing density-functional theory and many-body\ + \ perturbation theory'', J. Phys.: Condens. Matter 26, 363202 (2014)\n\ + None stated\nDepartment of Physics, Humboldt-Universit\xE4\ + t zu Berlin\n\n
oai:materialsdata.nist.gov:11256/4712015-10-22T18:04:40Zcom_11256_103col_11256_104
\nFactSage\n\ + \nhttp://www.crct.polymtl.ca/fact/documentation/\n\ + FactSage\xA9, one of the largest fully integrated database\ + \ computing systems in chemical thermodynamics in the world, was introduced\ + \ in 2001 and is the fusion of the FACT-Win/F*A*C*T and ChemSage/SOLGASMIX\ + \ thermochemical packages.\n2015-10-21T22:51:27Z\n\ + 2015-10-21T22:51:27Z\nhttp://hdl.handle.net/11256/471\n\ + Eng\n7.02\nCopyright\ + \ Thermfact/CRCT & GTT-Technologies\nThermfact/CRCT\ + \ & GTT-Technologies\n\n
oai:materialsdata.nist.gov:11256/4722015-10-22T18:00:35Zcom_11256_103col_11256_104
\nfhi98PP\n\ + pseudopotentials\nmaterials science\n\ + http://th.fhi-berlin.mpg.de/th/fhi98md/fhi98PP/tutorial.ps\n\ + \"The package fhi98PP [1] in the present update of 27-06-03\ + \ allows one to: Generate norm-conserving pseudopotentials of the Hammann\ + \ [2] and Troullier-Martins [3] types, employing common parameterizations\ + \ of the local-density approximation and generalized gradient approximations\ + \ for exchange and correlation.; Check the transferability of one's pseudopotentials,\ + \ in particular to search for unphysical ghost states of their fully separable\ + \ (Kleinman-Bylander) representation [4]; Spin-polarized atoms can be calculated,\ + \ and pseudopotentials for exact Kohn-Sham exchange calculations can be produced.\ + \ These features are at a developmental stage and require care; A database\ + \ of generic input data files for most elements is part of this package. General\ + \ background about pseudopotentials and practical considerations for generating\ + \ them may be found in [1]. A hands-on tutorial and worked-out examples are\ + \ available as well. Unix c-shell scripts serve as command-line interfaces\ + \ to facilitate the above tasks. Their pseudopotential output is compatible\ + \ with the input format of the fhimd program [5] and can be readily adjusted\ + \ to fit other codes. For visual inspection of results, these scripts provide\ + \ graphics files to be viewed with the public domain plotting tool XMGRACE.\"\ + \ - http://th.fhi-berlin.mpg.de/th/fhi98md/fhi98PP/\n2015-10-21T22:51:27Z\n\ + 2015-10-21T22:51:27Z\nhttp://hdl.handle.net/11256/472\n\ + Eng\nNot listed\nNone\ + \ stated\nFritz Haber Institute of the Max Planck\ + \ Society\n\n
oai:materialsdata.nist.gov:11256/4732015-10-22T18:02:40Zcom_11256_103col_11256_104
\nFHI-aims\n\ + \nmaterials science\n\"\ + FHI-aims is an accurate all-electron, full-potential electronic structure\ + \ code package for computational materials science, offering: Density functional\ + \ theory (LDA, GGAs) for isolated molecules and periodic systems (solids,\ + \ surfaces, ...); Preconstructed hierarchical basis sets across the periodic\ + \ table (elements 1-102) -from fast qualitative up to meV-converged accuracy\ + \ Hartree-Fock and hybrid functionals (B3LYP, PBE0/PBEh, HSE); Approaches\ + \ to van der Waals (Tkatchenko-Scheffler, vdW-DF); Many-body perturbation\ + \ methods (currently non-periodic, for single-point geometries): MP2, RPA,\ + \ renormalized second-order perturbation theory, G0W0, self-consistent GW,\ + \ doubly-hybrid functionals, and more under development. Structure optimization,\ + \ ab initio molecular dynamics, infrastructure for vibrations and phonons,\ + \ ...Molecular transport (including \"aitranss\" maintained by Evers group\ + \ at KIT) Seamlessly parallel from one up to (currently) (ten)thousands of\ + \ CPUs\" https://aimsclub.fhi-berlin.mpg.de/index.php\n2015-10-21T22:51:27Z\n\ + 2015-10-21T22:51:27Z\nDFT\nhttp://hdl.handle.net/11256/473\n\ + Eng\nNot listed\nNone\ + \ stated\nFritz-Haber-Institut der Max-Planck-Gesellschaft\n\ + \n
oai:materialsdata.nist.gov:11256/4742015-10-22T18:09:25Zcom_11256_103col_11256_104
\nFlow-3D\n\ + \ncomputational fluid dynamics\n\ + \nFLOW-3D is a powerful and highly-accurate\ + \ CFD software that facilitates the simulation and analysis of many physical\ + \ flow processes.\n2015-10-21T22:51:27Z\n\ + 2015-10-21T22:51:27Z\nhttp://hdl.handle.net/11256/474\n\ + Eng\n11\nCopyright\ + \ Flow Science Inc.\nFlow Science Inc.\n\ + \n
oai:materialsdata.nist.gov:11256/4752015-10-22T18:08:09Zcom_11256_103col_11256_104
\nFLEUR\n\ + \n\n\"This is the homepage\ + \ of FLEUR, a feature-full, freely available FLAPW (full potential linearized\ + \ augmented planewave) code, based on density-functional theory. The FLAPW-Method\ + \ (Full Potential Linearized Augmented Plane Wave Method) is an all-electron\ + \ method which within density functional theory is universally applicable\ + \ to all atoms of the periodic table and to systems with compact as well as\ + \ open structures. It is widely considered to be the most precise electronic\ + \ structure method in solid state physics.\" - http://www.flapw.de/pm/index.php\n\ + 2015-10-21T22:51:27Z\n2015-10-21T22:51:27Z\n\ + DFT\nhttp://hdl.handle.net/11256/475\n\ + Eng\n0.26\nNone\ + \ stated\nJulich Forschungszentrum\n\ + \n
oai:materialsdata.nist.gov:11256/4762015-10-22T18:08:46Zcom_11256_103col_11256_104
\nFORGE NxT\n\ + \n\nThis software can simulate\ + \ hot, warm, and cold forging of both 3D parts and 2D geometry parts, using\ + \ different process settings and/or different die designs. Accurate predictions\ + \ are then made for the dies (wear, damage, stress) and the workpiece (dimensions,\ + \ shrinkage, grain flow/distribution, etc.)\n2015-10-21T22:51:27Z\n\ + 2015-10-21T22:51:27Z\nhttp://hdl.handle.net/11256/476\n\ + Eng\n1\nCopyright\ + \ Transvalor\nTransvalor\n\n\ +
oai:materialsdata.nist.gov:11256/4772015-10-22T18:05:28Zcom_11256_103col_11256_104
\nFPLO\n\ + \n\"The FPLO package is a full-potential local-orbital\ + \ minimum-basis code [1] [2] to solve the Kohn-Sham equations on a regular\ + \ lattice [6]. The situation of a chemically disordered structure is covered\ + \ by a CPA solver [3], relativistic effects can be treated in a related 4-component\ + \ code [4], and the LSDA+U formalism is implemented [5].Much effort has been\ + \ spent to achieve a level of numerical accuracy which is comparable to advanced\ + \ full-potential LAPW implementations, though the basis set is considerably\ + \ smaller. This makes highly accurate full-potential calculations for elementary\ + \ cells of up to 100 atoms feasible on single-CPU machines and is a good starting\ + \ point for approaches beyond standard DFT.\" - http://www.fplo.de/\n\ + 2015-10-21T22:51:27Z\n2015-10-21T22:51:27Z\n\ + DFT\nhttp://hdl.handle.net/11256/477\n\ + Eng\n14\nNone\ + \ stated\nIFW Dresden\n\n\ +
oai:materialsdata.nist.gov:11256/4782015-10-22T17:54:50Zcom_11256_103col_11256_104
\nGAMESS\n\ + quantum chemistry\nmaterials science\n\ + http://www.msg.ameslab.gov/gamess/documentation.html\n\ + \"GAMESS is a program for ab initio molecular quantum chemistry.\ + \ Briefly, GAMESS can compute SCF wavefunctions ranging from RHF, ROHF, UHF,\ + \ GVB, and MCSCF. Correlation corrections to these SCF wavefunctions include\ + \ Configuration Interaction, second order perturbation Theory, and Coupled-Cluster\ + \ approaches, as well as the Density Functional Theory approximation. Excited\ + \ states can be computed by CI, EOM, or TD-DFT procedures. Nuclear gradients\ + \ are available, for automatic geometry optimization, transition state searches,\ + \ or reaction path following. Computation of the energy hessian permits prediction\ + \ of vibrational frequencies, with IR or Raman intensities. Solvent effects\ + \ may be modeled by the discrete Effective Fragment potentials, or continuum\ + \ models such as the Polarizable Continuum Model. Numerous relativistic computations\ + \ are available, including infinite order two component scalar relativity\ + \ corrections, with various spin-orbit coupling options. The Fragment Molecular\ + \ Orbital method permits use of many of these sophisticated treatments to\ + \ be used on very large systems, by dividing the computation into small fragments.\ + \ Nuclear wavefunctions can also be computed, in VSCF, or with explicit treatment\ + \ of nuclear orbitals by the NEO code.\" - http://www.msg.ameslab.gov/gamess/capabilities.html\n\ + 2015-10-21T22:51:28Z\n2015-10-21T22:51:28Z\n\ + DFT\nhttp://hdl.handle.net/11256/478\n\ + Eng\n20141205\n\"\ + General Atomic and Molecular Electronic Structure System\" M.W.Schmidt, K.K.Baldridge,\ + \ J.A.Boatz, S.T.Elbert, M.S.Gordon, J.H.Jensen, S.Koseki, N.Matsunaga, K.A.Nguyen,\ + \ S.Su, T.L.Windus, M.Dupuis, J.A.Montgomery J. Comput. Chem., 14, 1347-1363(1993).\n\ + \"Advances in electronic structure theory: GAMESS a decade later\"\ + \ M.S.Gordon, M.W.Schmidt pp. 1167-1189, in \"Theory and Applications of Computational\ + \ Chemistry: the first forty years\" C.E.Dykstra, G.Frenking, K.S.Kim, G.E.Scuseria\ + \ (editors), Elsevier, Amsterdam, 2005.\nNone stated\n\ + Gordon Research Group Ames Laboratory/Iowa State University\n\ + \n
oai:materialsdata.nist.gov:11256/4792015-10-22T17:58:19Zcom_11256_103col_11256_104
\nGAMESS-UK\n\ + materials science\nhttp://www.cfs.dl.ac.uk/docs/index.shtml\n\ + \"GAMESS-UK is the general purpose ab initio molecular electronic\ + \ structure program for performing SCF-, DFT- and MCSCF-gradient calculations,\ + \ together with a variety of techniques for post Hartree Fock calculations.\ + \ More information on the features and capabilities of the code can be found\ + \ on the features page or by clicking on the relevant links on the navigation\ + \ bar to the left.\" - http://www.cfs.dl.ac.uk/\n2015-10-21T22:51:28Z\n\ + 2015-10-21T22:51:28Z\nDFT\nHartree\ + \ Fock Method\nhttp://hdl.handle.net/11256/479\n\ + Eng\n7\nCopyright\ + \ CFS\nCFS Ltd.\n\n
oai:materialsdata.nist.gov:11256/4802015-10-22T17:57:09Zcom_11256_103col_11256_104
\nGaussian\n\ + quantum mechanics\nmaterials science\n\ + http://www.gaussian.com/g_tech/g09ur.htm\n\ + \"Gaussian 09 is the latest version of the Gaussian\xAE series\ + \ of electronic structure programs, used by chemists, chemical engineers,\ + \ biochemists, physicists and other scientists worldwide. Starting from the\ + \ fundamental laws of quantum mechanics, Gaussian 09 predicts the energies,\ + \ molecular structures, vibrational frequencies and molecular properties of\ + \ molecules and reactions in a wide variety of chemical environments. Gaussian\ + \ 09\u2019s models can be applied to both stable species and compounds which\ + \ are difficult or impossible to observe experimentally (e.g., short-lived\ + \ intermediates and transition structures).\" - http://www.gaussian.com/g_prod/g09b.htm\n\ + 2015-10-21T22:51:28Z\n2015-10-21T22:51:28Z\n\ + http://hdl.handle.net/11256/480\nEng\n\ + 9\nCopyright Gaussian Inc.\n\ + Gaussian Inc.\n\n
oai:materialsdata.nist.gov:11256/4812015-10-22T17:56:31Zcom_11256_103col_11256_104
\nOOF: Finite\ + \ Element Analysis of Microstructures\nFinite element\ + \ modeling\nmaterials science\nhttp://www.ctcms.nist.gov/~langer/oof2man/\n\ + OOF is designed to help materials scientists calculate macroscopic\ + \ properties from images of real or simulated microstructures. It reads an\ + \ image, assigns material properties to features in the image, and conducts\ + \ virtual experiments to determine the macroscopic properties of the microstructure.\n\ + 2015-10-21T22:51:28Z\n2015-10-21T22:51:28Z\n\ + http://hdl.handle.net/11256/481\nEnglish\n\ + 2.1.9\nIn public domain\n\ + NIST\n\n
oai:materialsdata.nist.gov:11256/4822015-10-22T17:55:42Zcom_11256_103col_11256_104
\nFiPy: A Finite\ + \ Volume PDE Solver Using Python\nPDE\n\ + Finite Volume\nPython\n\ + materials science\nhttp://www.ctcms.nist.gov/fipy/index.html\n\ + The FiPy framework includes terms for transient diffusion,\ + \ convection and standard sources, enabling the solution of arbitrary combinations\ + \ of coupled elliptic, hyperbolic and parabolic PDEs. Currently implemented\ + \ models include phase field treatments of polycrystalline, dendritic, and\ + \ electrochemical phase transformations, as well as drug eluting stents, reactive\ + \ wetting, photovoltaics and a level set treatment of the electrodeposition\ + \ process.\n2015-10-21T22:51:28Z\n2015-10-21T22:51:28Z\n\ + http://hdl.handle.net/11256/482\nEnglish\n\ + 3.1\nPublic Domain\nNIST\n\ + \n
oai:materialsdata.nist.gov:11256/4832015-10-22T17:59:18Zcom_11256_103col_11256_104
\nABAQUS\n\ + \nmaterials science\nhttp://www.3ds.com/support/documentation/users-guide/\n\ + ABAQUS sold as part of the SIMULIA package. SIMULIA delivers\ + \ a scalable suite of unified analysis products that allow all users, regardless\ + \ of their simulation expertise or domain focus, to collaborate and seamlessly\ + \ share simulation data and approved methods without loss of information fidelity.The\ + \ Abaqus Unified FEA product suite offers powerful and complete solutions\ + \ for both routine and sophisticated engineering problems covering a vast\ + \ spectrum of industrial applications. In the automotive industry engineering\ + \ work groups are able to consider full vehicle loads, dynamic vibration,\ + \ multibody systems, impact/crash, nonlinear static, thermal coupling, and\ + \ acoustic-structural coupling using a common model data structure and integrated\ + \ solver technology. Best-in-class companies are taking advantage of Abaqus\ + \ Unified FEA to consolidate their processes and tools, reduce costs and inefficiencies,\ + \ and gain a competitive advantage.\n2015-10-21T22:51:28Z\n\ + http://hdl.handle.net/11256/483\nEnglish\n\ + Multiple\nAbaqus 6.13-AP\n\ + Dassault Systems; http://www.3ds.com/legal-information/\n\ + Dassault Systemes\n\n
oai:materialsdata.nist.gov:11256/4842015-10-22T18:00:05Zcom_11256_103col_11256_104
\nANSYS\n\ + materials science\nhttp://ansys.com/Resource+Library\n\ + Finite element analysis software for structural physics that\ + \ can simulate static, dynamic and heat transfer \_problems. ANSYS now markets\ + \ a variety of software programs that serve simulation and modeling needs.\_\ + \n2015-10-21T22:51:28Z\n2015-10-21T22:51:28Z\n\ + http://hdl.handle.net/11256/484\nEnglish\n\ + ANSYS, Inc.\nANSYS, Inc.\n\ + \n
oai:materialsdata.nist.gov:11256/4852015-10-22T17:49:28Zcom_11256_103col_11256_104
\nLAMMPS Molecular\ + \ Dynamics Simulator\nmaterials science\n\ + http://lammps.sandia.gov/manual.html\nLAMMPS\ + \ is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular\ + \ Massively Parallel Simulator. LAMMPS has potentials for solid-state materials\ + \ (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained\ + \ or mesoscopic systems. It can be used to model atoms or, more generically,\ + \ as a parallel particle simulator at the atomic, meso, or continuum scale.\ + \ LAMMPS runs on single processors or in parallel using message-passing techniques\ + \ and a spatial-decomposition of the simulation domain. The code is designed\ + \ to be easy to modify or extend with new functionality.\n\ + 2015-10-21T22:51:29Z\n2015-10-21T22:51:29Z\n\ + molecular dynamics\nhttp://hdl.handle.net/11256/485\n\ + English\nPublic Domain\n\ + Sandia National Labs: Department of Energy\n\ + \n
oai:materialsdata.nist.gov:11256/4862015-10-22T17:52:19Zcom_11256_103col_11256_104
\nVisco Plastic\ + \ Self-Consistent (VPSC)\nmaterials science\n\ + No documentation\nThe Visco-Plastic\ + \ Self-Consistent code computes stress-strain data for various loading conditions\ + \ for polycrystalline samples with specified slip behavior and orientations.\ + \ Individual grains are treated as being immersed in a medium with the average\ + \ properties of the sample as a whole.\n2015-10-21T22:51:29Z\n\ + 2015-10-21T22:51:29Z\nhttp://hdl.handle.net/11256/486\n\ + English\nPublic\_Domain\n\ + R.A. Lebensohn, LANL\n\n
oai:materialsdata.nist.gov:11256/4872015-10-22T17:52:51Zcom_11256_103col_11256_104
\niPython\n\ + \nIPython is a notebook-based interface to interactive\ + \ computing, including powerful shells, a browser-based notebook interface\ + \ with support for code, rich text, mathematical expressions, inline plots,\ + \ and other rich media, support for interactive data visualization, flexible,\ + \ embeddable interpreters, and easy-to-use, high-performance tools for parallel\ + \ computing. Focused on Python, the architecture is designed to be language-agnostic,\ + \ to facilitate interactive computing in any language.\n\ + 2015-10-21T22:51:29Z\n2015-10-21T22:51:29Z\n\ + http://hdl.handle.net/11256/487\n\n\ +
oai:materialsdata.nist.gov:11256/4882015-10-22T17:53:43Zcom_11256_103col_11256_104
\nSciPy\n\ + \nSciPy is a Python-based ecosystem of open-source\ + \ software for mathematics, science, and engineering. Core packages include\ + \ NumPy for arrays, the SciPy core scientific libraries, the MatPlotLib 2D\ + \ visualization tool, the iPython interactive console, SymPy for symbolic\ + \ mathematics, and the Pandas library for data structures and analysis.\n\ + 2015-10-21T22:51:29Z\n2015-10-21T22:51:29Z\n\ + http://hdl.handle.net/11256/488\n\n\ +
oai:materialsdata.nist.gov:11256/4892015-10-22T17:50:29Zcom_11256_103col_11256_104
\nDMol\n\ + materials science\nDMol3 is a modeling\ + \ program, and comes as part of Simulia's Materials Studio, that uses density\ + \ functional theory (DFT) to simulate chemical processes and predict properties\ + \ of materials both rapidly and accurately. Because DMol3 can predict processes\ + \ in gas phase, solution, and solid environments, it is broadly applicable\ + \ to research problems in chemistry, pharmaceuticals, materials science, and\ + \ chemical engineering, as well as solid state physics. Researchers can use\ + \ the program to investigate the nature and origin of the chemical, electronic,\ + \ and structural properties of a system without the need for any experimental\ + \ input. Use DMol3 to perform virtual experiments, leading to tremendous savings\ + \ in costly experiments and shorter developmental cycles. [Better description\ + \ available:\_http://www.ifm.liu.se/compchem/msi/doc/life/insight2K/dmol/1_Intro.html]\_\ + \n2015-10-21T22:51:29Z\n2015-10-21T22:51:29Z\n\ + http://hdl.handle.net/11256/489\nEnglish\n\ + 7\nCopyright Accelrys Software Inc.\n\ + Accelrys Software Inc.\n\n
oai:materialsdata.nist.gov:11256/4902015-10-22T17:51:07Zcom_11256_103col_11256_104
\nATK\n\ + materials science\nhttp://quantumwise.com/manuals\n\ + Atomistix ToolKit (ATK) is a software package that offers\ + \ unique capabilities for simulating nanostructures on the atomic scale. Users\ + \ can work with either the Virtual NanoLab GUI or using Python scripts.\_\ + \n2015-10-21T22:51:29Z\n2015-10-21T22:51:29Z\n\ + http://hdl.handle.net/11256/490\nEnglish\n\ + Multiple\n13.8.1\nQuantumWise\ + \ A/S\nQuantum Wise\n\n\ +
oai:materialsdata.nist.gov:11256/4912015-10-22T17:46:25Zcom_11256_103col_11256_104
\nVienna Ab-Initio\ + \ Simulation Package (VASP)\nmaterials science\n\ + http://www.vasp.at/index.php/documentation;\_http://cms.mpi.univie.ac.at/vasp-workshop/slides/documentation.htm\n\ + The Vienna Ab initio Simulation Package (VASP) is a computer\ + \ program for atomic scale materials modelling, e.g. electronic structure\ + \ calculations and quantum-mechanical molecular dynamics, from first principles.\ + \ VASP computes an approximate solution to the many-body Schr\xF6dinger equation,\ + \ either within density functional theory (DFT), solving the Kohn-Sham equations,\ + \ or within the Hartree-Fock (HF) approximation, solving the Roothaan equations.\ + \ Hybrid functionals that mix the Hartree-Fock approach with density functional\ + \ theory are implemented as well. Furthermore, Green's functions methods (GW\ + \ quasiparticles, and ACFDT-RPA) and many-body perturbation theory (2nd-order\ + \ M\xF8ller-Plesset) are available in VASP.\_ In VASP, central quantities,\ + \ like the one-electron orbitals, the electronic charge density, and the local\ + \ potential are expressed in plane wave basis sets. The interactions between\ + \ the electrons and ions are described using norm-conserving or ultrasoft\ + \ pseudopotentials, or the projector-augmented-wave method.\_To determine\ + \ the electronic groundstate, VASP makes use of efficient iterative matrix\ + \ diagonalisation techniques, like the residual minimisation method with direct\ + \ inversion of the iterative subspace (RMM-DIIS) or blocked Davidson algorithms.\ + \ These are coupled to highly efficient Broyden and Pulay density mixing schemes\ + \ to speed up the self-consistency cycle.\n2015-10-21T22:51:29Z\n\ + 2015-10-21T22:51:29Z\nhttp://hdl.handle.net/11256/491\n\ + English\n5.X\nUniversity\ + \ of Vienna, Austria\nUniversity of Vienna\n\ + \n
oai:materialsdata.nist.gov:11256/4922015-10-22T17:53:18Zcom_11256_103col_11256_104
\nThermo-Calc\n\ + materials science\nhttp://www.thermocalc.com/support/documentation/\n\ + Thermo-Calc Software performs thermodynamic calculations including:\ + \ stable and meta-stable heterogeneous phase equilibria, amounts of phases\ + \ and their compositions, thermochemical data such as enthalpies, heat capacity\ + \ and activities, transformation temperatures, driving force for phase transformations,\ + \ phase diagrams (binary, ternary and multi-component), solidification applying\ + \ the Scheil-Gulliver model and thermodynamic properties of chemical reactions.\n\ + 2015-10-21T22:51:29Z\n2015-10-21T22:51:29Z\n\ + http://hdl.handle.net/11256/492\nEnglish\n\ + 3.1\nThermo-Calc Software Inc.\n\ + Thermo-Calc Software, Inc.\n\n
oai:materialsdata.nist.gov:11256/4932015-10-22T17:38:16Zcom_11256_103col_11256_104
\nMTEX: A MATLAB\ + \ Toolbox for Quantitative Texture Analysis\ntexture\n\ + MATLAB\npolefigure\nodf\n\ + diffraction\nebsd\nsoftware\n\ + orientation\ncrystal\nmaterials\ + \ science\nhttps://code.google.com/p/mtex/\n\ + MTEX is a MATLAB toolbox that allows to solve a wide range\ + \ of problems in quantitative texture analysis. This includes: crystal geometry,\ + \ ODF modeling, textrue calculations, pole figure diffraction data, pole fiture\ + \ to ODF inversion, EBSD data, grain detection, orientation density estimation\ + \ from EBSD data, material tensors, and elasticity tensors. In addition it\ + \ features tools to create publication ready plots, process multiple data\ + \ sets and an exhaustive documentation list.\n2015-10-21T22:51:30Z\n\ + 2015-10-21T22:51:30Z\nhttp://hdl.handle.net/11256/493\n\ + English\n4.0.alpha1\n\ + Technische Universitat Chemnitz\n\n\ +
oai:materialsdata.nist.gov:11256/4942015-10-22T17:32:49Zcom_11256_103col_11256_104
\nSIESTA\n\ + materials science\nhttp://departments.icmab.es/leem/siesta/Documentation/index.html\n\ + \_One DFT code that can handle (at least) principally thousands\ + \ of atoms. Basis functions are atomic orbitals. /\_SIESTA is both a method\ + \ and its computer program implementation, to perform efficient electronic\ + \ structure calculations and ab initio molecular dynamics simulations of molecules\ + \ and solids. SIESTA's efficiency stems from the use of strictly localized\ + \ basis sets and from the implementation of linear-scaling algorithms which\ + \ can be applied to suitable systems. A very important feature of the code\ + \ is that its accuracy and cost can be tuned in a wide range, from quick exploratory\ + \ calculations to highly accurate simulations matching the quality of other\ + \ approaches, such as plane-wave and all-electron methods. The possibility\ + \ of treating large systems with some first-principles electronic-structure\ + \ methods has opened up new opportunities in many disciplines. The SIESTA\ + \ program is distributed freely to academics and has become quite popular,\ + \ being increasingly used by researchers in geosciences, biology, and engineering\ + \ (apart from those in its natural habitat of materials physics and chemistry).\ + \ Currently there are several thousand users all over the world, and the paper\ + \ describing the method (J. Phys. Cond. Matt. 14, 2745 (2002)) has had more\ + \ than 4000 citations.\n2015-10-21T22:51:30Z\n\ + 2015-10-21T22:51:30Z\nhttp://hdl.handle.net/11256/494\n\ + English\n3.2\nICMAB\ + \ (Insitut de ciencia de Materiales)\n\n
oai:materialsdata.nist.gov:11256/4952015-10-22T17:45:15Zcom_11256_103col_11256_104
\nPoseidon\n\ + materials science\nA concurrent multi-scale\ + \ simulation program using molecular dynamic simulation and density functional\ + \ theory calculation. Research version is available to CAVS (Mississippi State\ + \ University) researchers only.\n2015-10-21T22:51:30Z\n\ + 2015-10-21T22:51:30Z\nhttp://hdl.handle.net/11256/495\n\ + \n
oai:materialsdata.nist.gov:11256/4962015-10-22T17:40:35Zcom_11256_103col_11256_104
\nAtomistic Stress\ + \ Simulator (WARP)\nmaterials science\n\ + https://icme.hpc.msstate.edu/mediawiki/images/d/d6/WARP-Overwiev.pdf\n\ + https://icme.hpc.msstate.edu/mediawiki/index.php/Code:_WARP\n\ + WARP is a parallel molecular dynamics simulation code for\ + \ modeling stress and strain in materials using embedded atom method (EAM)\ + \ and Lennard-Jones (LJ) potentials. It is written in F90 and performs message-passing\ + \ via MPI calls. This code is copyrighted property of Sandia National Laboratories.\ + \ Please contact the author(s) for a copy of the source code or further information.\n\ + 2015-10-21T22:51:30Z\n2015-10-21T22:51:30Z\n\ + http://hdl.handle.net/11256/496\nEnglish\n\ + Copyright Sandia National Labs\nSandia\ + \ National Laboratory\n\n
oai:materialsdata.nist.gov:11256/4972015-10-22T17:35:54Zcom_11256_103col_11256_104
\nCALCULIX\n\ + materials science\nhttp://www.dhondt.de/\n\ + CalculiX is a free finite element analysis software. \"With\ + \ CalculiX Finite Element Models can be build, calculated and post-processed.\ + \ The pre- and post-processor is an interactive 3D-tool using the openGL API.\ + \ The solver is able to do linear and non-linear calculations. Static, dynamic\ + \ and thermal solutions are available. Both programs can be used independently.\ + \ Because the solver makes use of the abaqus input format it is possible to\ + \ use commercial pre-processors as well. In turn the pre-processor is able\ + \ to write mesh related data for nastran, abaqus, ansys, code-aster and for\ + \ the free-cfd codes dolfyn, duns, ISAAC and OpenFOAM. A simple step reader\ + \ is included. In addition external CAD interfaces like vda_to_fbd are available.\ + \ The program is designed to run on Unix platforms like Linux and Irix computers\ + \ but also on MS-Windows.\"\n2015-10-21T22:51:30Z\n\ + 2015-10-21T22:51:30Z\nFEM (Finite Element Model)\n\ + http://hdl.handle.net/11256/497\nEnglish\n\ + 2.7\nCopyright (C) 1998 Guido Dhondt\ + \ and Klaus Wittig\nGuido Dhondt, Klaus Wittig\n\ + \n
oai:materialsdata.nist.gov:11256/4982015-10-22T17:43:08Zcom_11256_103col_11256_104
\nCOMSOL\n\ + materials science\nhttp://www.comsol.com/support\n\ + The COMSOL Multiphysics simulation software environment facilitates\ + \ all steps in the modeling process \u2212 defining your geometry, meshing,\ + \ specifying your physics, solving, and then visualizing your results.\n\ + 2015-10-21T22:51:30Z\n2015-10-21T22:51:30Z\n\ + http://hdl.handle.net/11256/498\nEnglish\n\ + 4.4\n\xA9 2014 by COMSOL Inc\n\ + COMSOL Inc\n\n
oai:materialsdata.nist.gov:11256/4992015-10-22T17:30:04Zcom_11256_103col_11256_104
\nMSU ISV Plasticity-Damage\ + \ Model\nmaterials science\nhttps://icme.hpc.msstate.edu/viewvc/CMD%20Codes%20Repository/DMG/trunk/doc/MSU.CAVS.CMD.2009-R0010.pdf\n\ + \"The Mississippi State University Internal State Variable\ + \ (ISV) plasticity-damage model (DMG) production version 1.0 is being released\ + \ along with its model calibration tool (DMGfit). The model equations and\ + \ material model fits are explained in CAVS Technical Report (https://icme.hpc.msstate.edu/viewvc/CMD%20Codes%20Repository/DMG/trunk/doc/MSU.CAVS.CMD.2009-R0010.pdf).\ + \ This model is based upon Bammann, DJ, Chiesa, ML, Horstemeyer, MF, Weingarten,\ + \ LI, \"Failure in Ductile Materials Using Finite Element Methods,\" Structural\ + \ Crashworthiness and Failure, eds. Wierzbicki and Jones, Elsevier Applied\ + \ Science, The Universities Press (Belfast) Ltd, 1993 and Horstemeyer, MF,\ + \ Lathrop, J, Gokhale, AM, and Dighe, M, \"Modeling Stress State Dependent\ + \ Damage Evolution in a Cast Al-Si-Mg Aluminum Alloy,\" Theoretical and Applied\ + \ Mech., Vol. 33, pp. 31-47, 2000. This model will predict the plasticity\ + \ and failure in a metal alloy. It can be initialized to have different heterogeneous\ + \ microstructures within the finite element mesh. The DMG model is implemented\ + \ as an ABAQUS user material (UMAT and VUMAT) subroutines for production run\ + \ finite element simulations. For consistency, the same UMAT is utilized for\ + \ model calibration (determining the material constants) by the DMGfit tool.\ + \ The calibrated model constants can be directly merged by DMGfit into the\ + \ \"USER MATERIAL, CONSTANTS\" section an existing ABAQUS input deck. The\ + \ DMG model in the UMAT and VUMAT codes as well as a stand-alone DMGfit tool\ + \ are available from the CAVS Code Repository: https://icme.hpc.msstate.edu/mediawiki/index.php/Code:_DMG\ + \ . A user guide for the DMGfit tool based on the updated DMG model (55p-v1p1)\ + \ may be found here: https://icme.hpc.msstate.edu/mediawiki/index.php/DMGfit_55p_v1p1\ + \ .\"\n2015-10-21T22:51:30Z\n2015-10-21T22:51:30Z\n\ + http://hdl.handle.net/11256/499\nEnglish\n\ + 1\nThe Mississippi State University\n\ + \n
oai:materialsdata.nist.gov:11256/5002015-10-22T17:44:19Zcom_11256_103col_11256_104
\nDYNAMO\n\ + materials science\nDYNAMO is commonly\ + \ used for MEAM (modified embedded atom method) interatomic potential generation.\ + \ Alternative to LAMMPS.\n2015-10-21T22:51:30Z\n\ + 2015-10-21T22:51:30Z\nmolecular dynamics\n\ + http://hdl.handle.net/11256/500\nEnglish\n\ + \n
oai:materialsdata.nist.gov:11256/5012015-10-22T17:27:20Zcom_11256_103col_11256_104
\nDislostructures\n\ + materials science\nDislocation.f90\ + \ is a short program that generates edge/screw dislocations in different different\ + \ crystal structures, FCC, HCP and BCC. The dislocations can be introduced\ + \ in the form of a periodic array or a single infinite dislocation in a cylinder.\ + \ Available to CAVS reasearchers only.\n2015-10-21T22:51:31Z\n\ + 2015-10-21T22:51:31Z\nhttp://hdl.handle.net/11256/501\n\ + English\n1\nThe\ + \ Mississippi State University\n\n
oai:materialsdata.nist.gov:11256/5022015-10-22T17:26:49Zcom_11256_103col_11256_104
\nElmer\n\ + materials science\nhttp://www.csc.fi/english/pages/elmer/documentation\n\ + Elmer is an open source multi-physics FEA code capable of\ + \ complex coupled simulations. There are several examples including fluid-structure\ + \ interactions, magnetic induction, Soret thermal-induced diffusion, thermal\ + \ buoyancy flows, etc. Elmer's FORTRAN 90 solvers scale to thousands of cores.\ + \ Its code is compact and not hard to edit and extend. Its new GUI has been\ + \ in development for a couple of years, it is written in C++ using the Qt\ + \ widget set and XML interface definitions for each physics module.\n\ + 2015-10-21T22:51:31Z\n2015-10-21T22:51:31Z\n\ + FEM\nNone\nhttp://hdl.handle.net/11256/502\n\ + English\nFinish\n7\n\ + CSC - IT Center for Science\n\n
oai:materialsdata.nist.gov:11256/5032015-10-22T17:28:05Zcom_11256_103col_11256_104
\nGeneral Stacking\ + \ Fault (GSF)\nmaterials science\nScripts\ + \ to calculate General Stacking Fault curves for different crystal structures.\ + \ Research version is only available to CAVS researchers.\n\ + 2015-10-21T22:51:31Z\n2015-10-21T22:51:31Z\n\ + None\nhttp://hdl.handle.net/11256/503\n\ + English\n1\nThe\ + \ Mississippi State University\n\n
oai:materialsdata.nist.gov:11256/5042015-10-22T17:26:06Zcom_11256_103col_11256_104
\nHYPERMESH\n\ + materials science\nAltair HyperMesh\ + \ is a high-performance finite element pre-processor to prepare even the largest\ + \ models, starting from import of CAD geometry to exporting an analysis run\ + \ for various disciplines. HyperMesh enables engineers to receive high quality\ + \ meshes with maximum accuracy in the shortest time possible. A complete set\ + \ of geometry editing tools helps to efficiently prepare CAD models for the\ + \ meshing process. Meshing algorithms for shell and solid elements provide\ + \ full level of control, or can be used in automatic mode. Altair\u2019s BatchMeshing\ + \ technology meshes hundreds of files precisely in the background to match\ + \ user-defined standards. HyperMesh offers the biggest variety of solid meshing\ + \ capabilities in the market, including domain specific methods such as SPH,\ + \ NVH or CFD meshing. A long list of CAD formats ensures a high level of CAD\ + \ interoperability. Altair\u2019s connector technology automatically assembles\ + \ individual parts with their Finite Element representation. HyperMesh is\ + \ entirely customizable. A extensive API library can be used to automate repeating\ + \ tasks or do complicated math operations for model generation.\n\ + 2015-10-21T22:51:31Z\n2015-10-21T22:51:31Z\n\ + None\nhttp://hdl.handle.net/11256/504\n\ + English\n12\n2014\ + \ Altair Engineering, Inc.\nAltair Engineering,\ + \ Inc.\n\n
oai:materialsdata.nist.gov:11256/5052015-10-22T17:18:45Zcom_11256_103col_11256_104
\nLS-DYNA\n\ + \nmaterials science\nhttp://www.lstc.com/support/resources\n\ + LS-DYNA is a general-purpose finite element program capable\ + \ of simulating complex real world problems. It is used by the automobile,\ + \ aerospace, construction, military, manufacturing, and bioengineering industries.\ + \ LS-DYNA is optimized for shared and distributed memory Unix, Linux, and\ + \ Windows based, platforms, and it is fully QA'd by LSTC. The code's origins\ + \ lie in highly nonlinear, transient dynamic finite element analysis using\ + \ explicit time integration. LS-DYNA consists of a single executable file\ + \ and is entirely command line driven. Therefore all that is required to run\ + \ LS-DYNA is a command shell, the executable, an input file, and enough free\ + \ disk space to run the calculation. All input files are in simple ASCII format\ + \ and thus can be prepared using any text editor. Input files can also be\ + \ prepared with the aid of a graphical preprocessor. There are many third\ + \ party software products available for preprocessing LS-DYNA input files.\ + \ LSTC also develops its own preprocessor, LS-PrePost, which is freely distributed\ + \ and runs without a license. Licensees of LS-DYNA automatically have access\ + \ to all of the program's capabilities, from simple linear static mechanical\ + \ analysis up to advanced thermal and flow solving methods. Furthermore, they\ + \ have full use of LS-OPT, a standalone design optimization and probabilistic\ + \ analysis package with an interface to LS-DYNA.\n2015-10-21T22:51:31Z\n\ + 2015-10-21T22:51:31Z\nFEM\nNone\n\ + http://hdl.handle.net/11256/505\nEnglish\n\ + 2011 LSTC\nLSTC\n\n\ +
oai:materialsdata.nist.gov:11256/5062015-10-22T17:19:25Zcom_11256_103col_11256_104
\nMultiphysics\ + \ Object-Oriented Simulation Environment (MOOSE)\n\nmaterials science\nhttp://mooseframework.org/documentation/\n\ + The Multiphysics Object-Oriented Simulation Environment (MOOSE)\ + \ is a finite-element, multiphysics framework primarily developed by Idaho\ + \ National Laboratory. It provides a high-level interface to some of the most\ + \ sophisticated nonlinear solver technology on the planet. MOOSE presents\ + \ a straightforward API that aligns well with the real-world problems scientists\ + \ and engineers need to tackle. Every detail about how an engineer interacts\ + \ with MOOSE has been thought through, from the installation process through\ + \ running your simulation on state of the art supercomputers, the MOOSE system\ + \ will accelerate your research.\n2015-10-21T22:51:31Z\n\ + 2015-10-21T22:51:31Z\nNone\n\ + http://hdl.handle.net/11256/506\nEnglish\n\ + Idaho National Laboratory, \xA9 2010 Battelle Energy Alliance,\ + \ LLC\nIdaho National Laboratory\n\ + \n
oai:materialsdata.nist.gov:11256/5072015-10-22T16:59:02Zcom_11256_103col_11256_104
\nMSC Nastran\n\ + \nmaterial science\nMSC\ + \ Nastran is a multidisciplinary structural analysis application used by engineers\ + \ to perform static, dynamic, and thermal analysis across the linear and nonlinear\ + \ domains, complemented with automated structural optimization and award winning\ + \ embedded fatigue analysis technologies, all enabled by high performance\ + \ computing. Engineers use MSC Nastran to ensure structural systems have the\ + \ necessary strength, stiffness, and life to preclude failure (excess stresses,\ + \ resonance, buckling, or detrimental deformations) that may compromise structural\ + \ function and safety. MSC Nastran is also used to improve the economy and\ + \ passenger comfort of structural designs. Manufacturers leverage MSC Nastran\u2019\ + s unique multidisciplinary approach to structural analysis at various points\ + \ in the product development process. MSC Nastran may be used to: Virtually\ + \ prototype early in the design process, saving costs traditionally associated\ + \ with physical prototyping. Remedy structural issues that may occur during\ + \ a product\u2019s service, reducing downtime and costs. Optimize the performance\ + \ of existing designs or develop unique product differentiators, leading to\ + \ industry advantages over competitors. MSC Nastran is based on sophisticated\ + \ numerical methods, the most prominent being the Finite Element Method. Nonlinear\ + \ FE problems may be solved either with built-in implicit or explicit numerical\ + \ techniques. A number of optimization algorithms are available, including\ + \ MSCADS and IPOPT. The fatigue capability in MSC Nastran has been developed\ + \ jointly by nCode International Ltd. and MSC Software.\n\ + 2015-10-21T22:51:31Z\n2015-10-21T22:51:31Z\n\ + Analytical Software\nNone\n\ + http://hdl.handle.net/11256/507\nEnglish\n\ + 2014 MSC Software Corporation\nMSC Software\ + \ Corporation\n\n
oai:materialsdata.nist.gov:11256/5082015-10-22T17:21:07Zcom_11256_103col_11256_104
\nPAM-CRASH\n\ + \nmaterials science\nPam-Crash\ + \ is a software package from ESI Group used for crash simulation and the design\ + \ of occupant safety systems, primarily in the automotive industry. The software\ + \ enables automotive engineers to simulate the performance of a proposed vehicle\ + \ design and evaluate the potential for injury to occupants in multiple crash\ + \ scenarios. Seems to be superceeded by VSP (Virtual Performance Solution)\n\ + 2015-10-21T22:51:31Z\n2015-10-21T22:51:31Z\n\ + FEM\nNone\nhttp://hdl.handle.net/11256/508\n\ + English\nCopyright ESI Group\n\ + ESI Group\n\n
oai:materialsdata.nist.gov:11256/5092015-10-22T17:22:15Zcom_11256_103col_11256_104
\nVirtual Performance\ + \ Solution\n\nmaterials science\n\ + Virtual Performance Solution (VPS) is a global solution for\ + \ Virtual Product Engineering, which has its origins in PAM-CRASH, and takes\ + \ into account multiple domains. One of the top commercial products for crash\ + \ simulations and other automotive engineering challenges.\n\ + 2015-10-21T22:51:31Z\n2015-10-21T22:51:31Z\n\ + FEM\nNone\nhttp://hdl.handle.net/11256/509\n\ + English\nCopyright ESI Group\n\ + ESI Group\n\n
oai:materialsdata.nist.gov:11256/5102015-10-22T17:24:51Zcom_11256_103col_11256_104
\nSYSWELD\n\ + materials science\nCategory\n\ + Explicit Finite Element Code used for Dynamic and Shock Problems.\n\ + 2015-10-21T22:51:31Z\n2015-10-21T22:51:31Z\n\ + FEM\nNone\nhttp://hdl.handle.net/11256/510\n\ + English\nESI Group\nESI\ + \ Group\n\n
oai:materialsdata.nist.gov:11256/5112015-10-22T16:45:31Zcom_11256_103col_11256_104
\nVirtual Welding\ + \ and Assembly Suite\n\nmaterials\ + \ science\nCategory\nhttps://www.esi-group.com/support/resource-center?field_related_trade_tid=41\n\ + With simulation-based weld quality and residual stress engineering,\ + \ you can: Check if the weld will perform as well as the parent material and\ + \ will not affect the ability of the parent material to perform as stated\ + \ in its material specification; Choose the best possible material; Determine\ + \ the best possible micro-structure after welding; Evaluate material exposure;\ + \ Control residual stresses; Minimize tensile stresses to avoid buckling.\n\ + 2015-10-21T22:51:32Z\n2015-10-21T22:51:32Z\n\ + FEM\nNone\nhttp://hdl.handle.net/11256/511\n\ + English\nESI Group\nESI\ + \ Group\n\n
oai:materialsdata.nist.gov:11256/5122015-10-22T16:46:03Zcom_11256_103col_11256_104
\nTahoe\n\ + \nmaterials science\nCategory\n\ + http://tahoe.cvs.sourceforge.net/viewvc/tahoe/guide.user/\n\ + http://tahoe.sourceforge.net/bb/\nhttp://tahoe.sourceforge.net/wiki/index.php/Main_Page\n\ + Tahoe is a research-oriented platform for the development\ + \ of numerical methods and material models. The goal of the work surrounding\ + \ Tahoe is the simulation of stresses and deformations for situations that\ + \ cannot be treated by standard continuum simulation techniques. These situations\ + \ include material fracture or failure, interfacial adhesion and debonding,\ + \ shear banding, length-scale dependent elasticity and plasticity, and deformation\ + \ in small-scale structures. Aside from a collection of standard finite elements,\ + \ Tahoe includes meshfree simulation capability and particle methods. Tahoe\ + \ includes a number of \"cohesive\" approaches for modeling fracture. These\ + \ include both surface and bulk constitutive models that incorporate cohesive\ + \ behavior. Tahoe is capable of performing static and transient dynamic coupled-physics\ + \ analysis in two and three dimensions. Many capabilities support parallel\ + \ execution.\n2015-10-21T22:51:32Z\n2015-10-21T22:51:32Z\n\ + \nhttp://hdl.handle.net/11256/512\n\ + English\n2.1\n\n\ +
oai:materialsdata.nist.gov:11256/5132015-10-22T16:49:46Zcom_11256_103col_11256_104
\nTernary\n\ + \nmaterials science\nTernary\ + \ is a free energy visualization tool. Inspired by Craig Carter's Mathematica\ + \ scripts for binary mixtures, it uses qhull to calculate the convex hull\ + \ of the free energy curve, and visualizes the result including two-phase\ + \ tie lines and three-phase triangles. For multiple phases, such as the situation\ + \ to the right, visualizing their intersection is tricky, but the principle\ + \ is the same: the convex hull gives the minimum energy surface. This consists\ + \ of two libraries: libfreenergy and libgibbs, two example C-codes: ternary\ + \ (output shown) and square, and a graphical user interface (GUI) called Ternary.\ + \ The libfreenergy library computes free energies and their derivatives, and\ + \ can be shared with phase field software, which uses free energies as a starting\ + \ point. The RheoPlast project's ternary Cahn-Hilliard module uses libfreenergy\ + \ to share free energy functions with Ternary. The libgibbs library includes\ + \ the rest of the phase diagram isotherm calculation infrastructure.\n\ + 2015-10-21T22:51:32Z\n2015-10-21T22:51:32Z\n\ + None\nhttp://hdl.handle.net/11256/513\n\ + English\n0.5\nMATDL\ + \ - Materials Digital Library Pathway\n\n
oai:materialsdata.nist.gov:11256/5142015-10-22T16:52:11Zcom_11256_103col_11256_104
\nmicroMegas\ + \ (mM)\n\nmaterials science\n\ + http://zig.onera.fr/mm_home_page/doc/Article_mM_2011.pdf\n\ + https://icme.hpc.msstate.edu/mediawiki/index.php/Code:_microMegas\n\ + MicroMegas is a 3-D DDD (Discrete Dislocation Dynamics) simulation.\ + \ MicroMegas (also known as 'mM') is an open source program for DD (Dislocation\ + \ Dynamics) simulations originally developed at the 'Laboratoire d'Etude des\ + \ Microstructures', CNRS-ONERA, France. mM is a free software under the terms\ + \ of the GNU General Public License as published by the Free Software Foundation.\ + \ Discrete dislocation dynamics (DDD) is a numerical tool used to model the\ + \ plastic behavior of crystalline materials using the elastic theory of dislocations.\ + \ DDD is the computational counterpart to in site TEM tests. MicroMegas is\ + \ a legacy simulation code used to study the plasticity of mono-crystalline\ + \ metals, based on the elasticity theory that models the dislocation interactions\ + \ into an elastic continuum. In crystalline materials, plastic deformation\ + \ may be explained by (i) twinning, (ii) martensic transformation or/and (iii)\ + \ dislocation interactions.\n2015-10-21T22:51:32Z\n\ + 2015-10-21T22:51:32Z\nNone\n\ + http://hdl.handle.net/11256/514\nEnglish\n\ + 4.2\nCopyright (C) 1993, 1996, 2000,\ + \ 2002, 2004, 2011 : B. Devincre, L. Kubin, M. Condat, C. Lemarchand, R. Madec,\ + \ S. Groh, G. Monnet, J. Durinck, P. Carrez, C. de Sansal, M-G. Tagorti, S.\ + \ Queyreau., S. Naamane, A. Roos, A. Vattre, R. Gatti, J. Amodeo, F. Feyel,\ + \ G. Daveau\n\n
oai:materialsdata.nist.gov:11256/5152015-10-22T16:52:58Zcom_11256_103col_11256_104
\nCRYMPS: Crystal\ + \ Material Point Simulator\n\nmaterials\ + \ science\n2015-10-21T22:51:32Z\n2015-10-21T22:51:32Z\n\ + None\nhttp://hdl.handle.net/11256/515\n\ + English\nMississippi State University\n\ + \n"} + headers: + Connection: [Keep-Alive] + Content-Type: [application/xml;charset=UTF-8] + Date: ['Tue, 15 Dec 2015 19:35:19 GMT'] + Keep-Alive: ['timeout=15, max=100'] + Server: [Apache] + X-Frame-Options: [SAMEORIGIN] + status: {code: 200, message: OK} +version: 1 diff --git a/tests/vcr/unl_digitalcommons.yaml b/tests/vcr/unl_digitalcommons.yaml new file mode 100644 index 00000000..d1cb989f --- /dev/null +++ b/tests/vcr/unl_digitalcommons.yaml @@ -0,0 +1,154 @@ +interactions: +- request: + body: null + headers: + Accept: ['*/*'] + Accept-Encoding: ['gzip, deflate'] + Connection: [keep-alive] + User-Agent: [python-requests/2.4.1 CPython/3.4.3 Linux/3.19.0-33-generic] + method: GET + uri: 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