Staggered thermo-mechanical phase-field #2102

xingyuanmiao · 2018-03-15T20:52:27Z

The thermo-mechanical phase-field process is implemented. The implementation includes the following tests: a 3D beam undergoing thermal shrinkage, a 3D cube for homogeneous damage; two large tests, one for iglu project, one for thermal shock testing.

wenqing · 2018-03-16T16:18:13Z

@xingyuanmiao You can merge my PR to your branch for this PR.

endJunction · 2018-03-17T11:11:08Z

ProcessLib/ThermoMechanicalPhaseField/CreateThermoMechanicalPhaseFieldProcess.cpp

+    int mechanics_related_process_id = 0;
+    int phase_field_process_id = 0;
+    int heat_conduction_process_id = 0;
+    if (use_monolithic_scheme)  // monolithic scheme.


Since you did not implement the monolithic scheme, I'd replace these code parts with OGS_FATAL calls with explanatory messages.
Update: Since you actually have implemented the monolithic scheme, it might be worth keep it, but you have to add ctests for that case.

This is still not addressed.

An OGS_FATAL is already in line 43 for the monolithic scheme. If the monolithic scheme is not interesting for solving of coupled TMPh problems , all monolithic scheme related stuff in this PR can be removed.

I agree with Wenqing, judging by my experience on testing specific cases for model verification and applications, the monolithic scheme is not an efficient method for solving complex cases.

endJunction · 2018-03-17T11:20:59Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM.h

+                MathLib::KelvinVector::KelvinVectorDimensions<
+                    DisplacementDim>::value;
+            ip_data.eps.setZero(kelvin_vector_size);
+            ip_data.eps_prev.setZero(kelvin_vector_size);


Initialization of the _prev quantities is not necessary. Better to use resize like it is done in PhaseFieldProcess. Initialization of these quantities conseils improper "push_back_state" implementation or other initial conditions implementation. ✔️

endJunction · 2018-03-17T11:23:02Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM.h

+    typename BMatricesType::KelvinVectorType eps_m, eps_m_prev;
+
+    typename BMatricesType::KelvinVectorType sigma_tensile, sigma_compressive,
+        sigma_real_prev, sigma_real;


I didn't see where the sigma_real_prev is used; could you show me its usage, please?

Another question, just for understanding: What does the _real postfix mean? Probably it is not about complex numbers, but then there might be a better (more descriptive) name.

if the _real need to be changed, then it should also be renamed in the PhaseField process for consistency.

See #2103 ✔️

endJunction · 2018-03-17T11:28:46Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM.h

+    typename BMatricesType::KelvinVectorType sigma_tensile, sigma_compressive,
+        sigma_real_prev, sigma_real;
+    double strain_energy_tensile, elastic_energy;
+    typename ShapeMatrixType::GlobalDimVectorType heatflux, heatflux_prev;


I also could not find the usage of heatflux_prev. Am I missing something obvious?

check the pushBackState.

I have seen, that there is an assignment to that variable, but where is it read?
Same question goes on for the history_variable_prev.

The history_variable_prev question is not addressed. ✔️

endJunction · 2018-03-17T11:37:49Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM.h

+    {
+        if (history_variable_prev < history_variable)
+        {
+            history_variable_prev = history_variable;


minor: could also be

history_variable_prev = std::max(history_variable_prev, history_variable);

For the curious minds, this indeed produces no branches and one less assembly instruction, compared to the if-clause implementation. ✔️

endJunction · 2018-03-17T12:39:43Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+        using Invariants = MathLib::KelvinVector::Invariants<
+                MathLib::KelvinVector::KelvinVectorDimensions<
+                    DisplacementDim>::value>;
+        double const epsm_trace = Invariants::trace(eps_m);


eps_m_trace

the name has been changed.

endJunction · 2018-03-17T12:41:37Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM.h

+    typename ShapeMatrixType::GlobalDimNodalMatrixType dNdx;
+
+    typename BMatricesType::KelvinVectorType eps, eps_prev;
+    typename BMatricesType::KelvinVectorType eps_m, eps_m_prev;


Also I don't see usage of eps_m_prev aside of copying and initialization.

the unused parameters are removed. BTW: it was used for updating the mechanical strain.

endJunction · 2018-03-19T17:03:03Z

ProcessLib/ThermoMechanicalPhaseField/CreateThermoMechanicalPhaseFieldProcess.cpp

+
+#include "CreateThermoMechanicalPhaseFieldProcess.h"
+
+#include <cassert>


Please check, which includes are needed (in all files), and remove the unnecessary ones.

I see you have found some other includes, but missed this cassert include..... ✔️

endJunction · 2018-03-19T17:06:50Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+
+        auto const& sigma_real = _ip_data[ip].sigma_real;
+
+        // auto const [&](member){ return _process_data.member(t,


Please remove all commented code parts or add a debugging description if something is needed for such a case. ✔️

wenqing · 2018-03-21T08:41:10Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+
+        if (history_variable_prev < strain_energy_tensile)
+        {
+            // INFO("History variable %g:", history_variable);


If these two INFOs are not needed, please remove it.

removed unnecessary INFOs.

wenqing · 2018-03-21T08:46:47Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+
+        //
+        // temperature equation, temperature part;
+        // temperature equation, phasefield part;


Are these comments needed?

These comments are used to distinguish the components of matrix.

removed unnecessary comments.

wenqing · 2018-03-21T09:42:14Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+        double const T_ip = N.dot(T);
+        double const delta_T = T_ip - T0;
+        // calculate real density
+        double const rho_s = rho_sr * (1 - 3 * alpha * delta_T);


Where does this density formula come from?

rho_s * (V_0 + dV) = rho_sr * V_0; dV = 3 * alpha * dT * V_0; rho_s = rho_sr / (1 + 3 * alpha * dT )

You can either use this corrected formula by adding the above description as comment, or use rho_sr as rho_s directly.

wenqing · 2018-03-21T14:17:10Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldProcess-impl.h

+
+#include "ThermoMechanicalPhaseFieldFEM.h"
+#include "ThermoMechanicalPhaseFieldProcessData.h"
+#include "ThermoMechanicalPhaseFieldProcess.h"


Move it to the line before #include <cassert>. In other words, it should be the first include.

wenqing · 2018-03-21T14:19:47Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldProcess.cpp

+ */
+
+#include "ThermoMechanicalPhaseFieldProcess-impl.h"
+#include "ThermoMechanicalPhaseFieldProcess.h"


Move #include "ThermoMechanicalPhaseFieldProcess.h" to the line before #include "ThermoMechanicalPhaseFieldProcess-impl.h"

wenqing · 2018-03-21T14:38:25Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+                         std::vector<double>& local_Jac_data)
+{
+    using RhsVector =
+        typename ShapeMatricesType::template VectorType<phasefield_size +


If this function is for the monolithic scheme of phase-field thermomechanics, the size of RhsVector or JacobianMatrix should be temperature_size + phasefield_size + displacement_size.

If only the staggered scheme is needed, you can remove this function.

this function is removed as well as the monolithic scheme.

endJunction · 2018-03-21T20:44:24Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+
+        double const d_dot_ip = N.dot(d_dot);
+
+        local_rhs.template block<phasefield_size, 1>(phasefield_index, 0)


blocks with 1 columns are usually created using segment

endJunction · 2018-03-21T20:46:38Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+                   i, i * displacement_size / DisplacementDim)
+                .noalias() = N;
+
+        using Invariants = MathLib::KelvinVector::Invariants<


Unused typedef.

removed all unused functions and definitions.

endJunction · 2018-03-21T22:44:42Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+          int DisplacementDim>
+void ThermoMechanicalPhaseFieldLocalAssembler<ShapeFunction, IntegrationMethod,
+                                DisplacementDim>::
+    assembleWithJacobian(double const t, std::vector<double> const& local_x,


This function is not tested with the ctest, but should be.

the monolithic scheme is removed in current process.

endJunction · 2018-03-22T00:08:10Z

There also are some doxygen warnings. see Parameter QA page https://jenkins.opengeosys.org/job/ufz/job/ogs/job/PR-2102/12/Doxygen/
✔️

endJunction · 2018-03-22T00:10:46Z

ProcessLib/ThermoMechanicalPhaseField/Tests.cmake

@@ -0,0 +1,27 @@
+AddTest(


In the PR description you mention four tests, but there are only two ctests: 3D_non-isothermal and 3D_beam_LARGE. Something is missing....

other two tests including the IGLU TES and thermal shock slab are added in ctests.

endJunction · 2018-03-22T11:04:24Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldProcess.h

+ * the latest published benchmark book
+ * "Thermo-Hydro-Mechanical-Chemical Processes in Fractured Porous Media:
+ * Modelling and Benchmarking"
+ * (Chapter 9.7 -- A Phase-Field Model for Brittle Fracturing of Thermo-Elastic Solids)


Please add a proper bibtex reference into Documentation/bibliography.bib and \cite it here. ✔️

endJunction · 2018-03-22T22:01:26Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

@@ -439,7 +439,7 @@ void ThermoMechanicalPhaseFieldLocalAssembler<ShapeFunction, IntegrationMethod,
        double const T_ip = N.dot(T);
        double const delta_T = T_ip - T0;
        // calculate real density
-        double const rho_s = rho_sr * (1 - 3 * alpha * delta_T);
+        double const rho_s = rho_sr / (1 + 3 * alpha * delta_T);


Why is this change not reflected in the ctests? There must be a significant difference, isn't it?

body force is not considered in current testing cases.

under the present values of parameters, the density does not have large changes.

endJunction · 2018-03-22T22:03:43Z

...ntation/ProjectFile/prj/processes/process/THERMO_MECHANICAL_PHASE_FIELD/t_coupling_scheme.md

@@ -0,0 +1 @@
+An optional input to select the coupling scheme. The monolithic scheme is currently not verified for THERMO_MECHANICAL_PHASE_FIELD.


The monolithic scheme must be validated and verified in this PR. Then the second comment can be removed.

removed the monolithic scheme.

If the monolithic scheme is removed, this is then also obsolete...
Update: Maybe not clear; by "this" I mean the tag <coupling_scheme>

the coupling_scheme option is removed.

endJunction · 2018-03-22T22:05:13Z

.../process/THERMO_MECHANICAL_PHASE_FIELD/thermal_parameters/t_residual_thermal_conductivity.md

@@ -0,0 +1 @@
+Residual thermal conductivity represents the property of left medium in cracked region.


Probably "left" is not right, but "remaining".

not addressed

it was rephrased.

wenqing

I am fine with this PR as long as my last four comments are addressed.

wenqing · 2018-03-23T09:59:24Z

ProcessLib/ThermoMechanicalPhaseField/Tests.cmake

+    DIFF_DATA
+    expected_beam3d_pcs_2_ts_1_t_10.000000.vtu beam3d_pcs_2_ts_1_t_10.000000.vtu displacement displacement 1e-5 0
+    expected_beam3d_pcs_2_ts_1_t_10.000000.vtu beam3d_pcs_2_ts_1_t_10.000000.vtu phasefield phasefield 1e-6 0
+    expected_beam3d_pcs_2_ts_1_t_10.000000.vtu beam3d_pcs_2_ts_1_t_10.000000.vtu temperature temperature 1e-6 0


Heat flux is output but its components are all zero.

It could be nice to take one benchmark from PhaseField and test it with homogeneous temperature field by this implementation.

the benchmark for comparison of pure mechanical phasefield is added.

Could you tell the name of the benchmark, please.

ThermoMechanicalPhaseField_3D_non-isothermal

ThermoMechanicalPhaseField_3D_non-isothermal --> ThermoMechanicalPhaseField_3D_isothermal

wenqing · 2018-03-23T10:10:02Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+        double const T_ip = N.dot(T);
+        double const delta_T = T_ip - T0;
+        // calculate real density
+        double const rho_s = rho_sr / (1 + 3 * alpha * delta_T);


See my comment for another rho_s

wenqing · 2018-03-23T10:25:35Z

ProcessLib/ThermoMechanicalPhaseField/ThermoMechanicalPhaseFieldFEM-impl.h

+        double const T_dot_ip = N.dot(T_dot);
+        double const delta_T = T_ip - T0;
+        // calculate real density
+        double const rho_s = rho_sr * (1 - 3 * alpha * delta_T);


Correct it or use rho_sr as rho_s directly. For solid of geomaterials or metal, the factor 1 / (1 +3 * alpha * dT) to their density are tiny.

…erature test.

… documentations

endJunction · 2018-05-22T06:36:16Z

Technically the PR is OK. All code parts are exercised by the tests and the complex tests look reasonable.
There is also some documentation, although the notation is not consistent there.
The basic tests need careful checking.

ogsbot · 2020-06-19T12:52:07Z

OpenGeoSys development has been moved to GitLab.

See this pull request on GitLab.

xingyuanmiao force-pushed the staggeredThmermoMechanicalPhaseField branch 3 times, most recently from d48f361 to 1c44568 Compare March 16, 2018 10:43

wenqing mentioned this pull request Mar 16, 2018

[TMPh] Fixed a bug and ran clang-format to the changed file xingyuanmiao/ogs#2

Merged

endJunction reviewed Mar 17, 2018

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xingyuanmiao force-pushed the staggeredThmermoMechanicalPhaseField branch 2 times, most recently from adb9d1e to b916c7b Compare March 21, 2018 13:00

wenqing reviewed Mar 21, 2018

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xingyuanmiao force-pushed the staggeredThmermoMechanicalPhaseField branch 2 times, most recently from f71feac to c332b0a Compare March 30, 2018 13:20

xingyuanmiao and others added 26 commits May 21, 2018 23:43

removed unused typedef of invariants.

6062f63

rearranged the order of includes.

75476cf

fixed calculation of density.

c70c73c

fixed doxygen warnings.

b57e47f

minor correction on the definition of residual thermal conductivity.

b868d91

removed monolithic scheme.

1772a07

supplemented correction of density calculation.

a167eb4

added a mechanical phasefield test to compare with a homogeneous temp…

39b2e7f

…erature test.

updated iglu testing to check the heat_flux.

882730f

added thermal shock testing to ctest.

282ff2f

corrected reference citation.

94ca459

minor corrections of the process description.

bfa9b19

updated the process after latest rebasing.

ff0fc8b

removed unused parameter history_field.

c6b049d

added missing .vtu term in thermal shock testing case.

9bbc46b

removed coupling_scheme option --WIP.

285153b

[TMPh] Changed the parsing of variables in order to keep the variable…

7b8e8e2

… documentations

adjusted total running time and refined the tolerance of convergence.

dabcf97

changed format of image display.

11453ed

format line 221-248.

3e6d311

fixed equation display issue.

603d9f9

changed ctest name.

c61fab2

changed format.

2ba4ea1

[T] TMP: Remove executable flag from test files.

880e0c8

[T] TMP: Format project files.

23c7ef5

clang-format all source code changes.

e56c47e

endJunction force-pushed the staggeredThmermoMechanicalPhaseField branch from fbdfc94 to e56c47e Compare May 21, 2018 22:26

endJunction merged commit 63c2ef2 into ufz:master May 22, 2018


		#include "CreateThermoMechanicalPhaseFieldProcess.h"

		#include <cassert>


		auto const& sigma_real = _ip_data[ip].sigma_real;

		// auto const [&](member){ return _process_data.member(t,


		double const d_dot_ip = N.dot(d_dot);

		local_rhs.template block<phasefield_size, 1>(phasefield_index, 0)

		@@ -0,0 +1 @@
		An optional input to select the coupling scheme. The monolithic scheme is currently not verified for THERMO_MECHANICAL_PHASE_FIELD.

		@@ -0,0 +1 @@
		Residual thermal conductivity represents the property of left medium in cracked region.

Staggered thermo-mechanical phase-field #2102

Staggered thermo-mechanical phase-field #2102

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xingyuanmiao commented Mar 15, 2018

wenqing commented Mar 16, 2018

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