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screw-dislocations

Here are 2 public repositories matching this topic...

High-Entropy-Alloys

Asif-Iqbal-Bhatti / High-Entropy-Alloys

Generate random alloys and compute various properties

python machine-learning sqs vasp monte-carlo-simulation materials-science gsfe bcc-crystal mcsqs materials-discovery screw-dislocations random-alloys p4vasp

Updated Jun 12, 2024
Python

Nudge-Elastic-band-VASP

Asif-Iqbal-Bhatti / Nudge-Elastic-band-VASP

NEB technique for HEAs

vasp relaxation barrier alloys screw nudged-elastic-band screw-dislocations

Updated Jul 30, 2023
Python

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