For QCM, add parameters to control quadrature rule and number of quadrature points #1432

voferreira · 2025-02-26T23:52:16Z

Description

The QCM void fraction scheme in unresolved CFD-DEM used the Gauss rule to distribute the quadrature points over the cell. The number of quadrature points was fixed at 2 per dimension. In mesh independence studies, in which we want to preserve the sphere size across meshes, this could leave gaps between the QCM virtual spheres. The void fraction calculation would not account for particles in this uncovered region.

For this reason, we decided to improve the method's flexibility by adding two user-defined parameters, namely quadrature rule and n quadrature points. The first controls the quadrature rule to be applied upon distributing the quadrature points, while the second allows for choosing the number of quadrature points per dimension. In this implementation, the available rules are Gauss and Gauss-Lobatto. We chose these two because the first respects the default of the solver and the latter places quadrature points at the boundaries of the cells.

Testing

All previous tests pass. One new test was added to track the feature.

Documentation

The parameters were documented accordingly.

Miscellaneous (will be removed when merged)

Checklist (will be removed when merged)

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All in-code documentation related to this PR is up to date (Doxygen format)
Copyright headers are present and up to date
Lethe documentation is up to date
New feature has unit test(s) (preferred) or application test(s), and restart files are in the generator folder
The branch is rebased onto master
Changelog (CHANGELOG.md) is up to date
Code is indented with indent-all and .prm files (examples and tests) with prm-indent

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Labels are applied
There are at least 2 reviewers (or 1 if small feature) excluding the responsible for the merge
If this PR closes an issue or is related to a project, it is linked in the "Projects" or "Development" section
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The PR description is cleaned and ready for merge

…ints to be applied on qcm

blaisb · 2025-02-27T01:23:04Z

@voferreira can you please revert the changes on the files that are not related?

blaisb

Few comments there and there.

blaisb · 2025-02-27T16:41:39Z

applications_tests/lethe-fluid-particles/qcm_gauss_lobatto_particle_sedimentation.prm

+# SPDX-FileCopyrightText: Copyright (c) 2021-2024 The Lethe Authors
+# SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception OR LGPL-2.1-or-later
+
+# Listing of Parameters


Can you indicate as a comment which generator is used to generate the restart file for this problem
Could you also add a comment regarding what this test actually tests?

Is this description fine?

blaisb · 2025-02-27T16:41:52Z

applications_tests/lethe-fluid-particles/qcm_gauss_particle_sedimentation.prm

+# SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception OR LGPL-2.1-or-later
+
+# Listing of Parameters
+#----------------------


Same as for the other prm file.

blaisb · 2025-02-27T16:42:49Z

include/fem-dem/void_fraction.h

+        else
+          quadrature = std::make_shared<QGauss<dim>>(fe->degree + 1);


This else should never happen no, so why not just throw instead? we shuold not reach that point.

blaisb · 2025-02-27T16:43:29Z

include/fem-dem/parameters_cfd_dem.h

@@ -72,6 +78,8 @@ namespace Parameters
    unsigned int                   particle_refinement_factor;
    double                         qcm_sphere_diameter;
    bool                           qcm_sphere_equal_cell_volume;
+    VoidFractionQCMRule            qcm_quadrature_rule;


I think we should not make it specific to QCM even though it is in a way. Let's just apply it everywhere and call that VoidFractionQuadratureRule
We could eventually have a general parameter called quadraturerule if we change quadrature for the other physics. Maybe now is the time to start it cleanly.

blaisb · 2025-02-27T16:44:16Z

include/fem-dem/void_fraction.h

+          quadrature = std::make_shared<QGaussLobatto<dim>>(
+            this->void_fraction_parameters->qcm_n_quadrature_points);


You need to assert that the number of quadrature point is positive
Or what you could do is if it's -1 you put degree+1 and if it's a positive number you use that number.
Here nothing prevents you from putting a negative value.

blaisb · 2025-02-27T16:44:44Z

source/fem-dem/parameters_cfd_dem.cc

+      {
+        // Ensure coherence with default
+        if (qcm_n_quadrature_points == -1)
+          qcm_n_quadrature_points = 2;


Should not be 2, but should be void_fraction_degree + 1.

blaisb · 2025-02-27T16:45:03Z

source/fem-dem/parameters_cfd_dem.cc

+      {
+        // Ensure coherence with default
+        if (qcm_n_quadrature_points == -1)
+          qcm_n_quadrature_points = 3;


fe_degree +2

OGaboriault

Tony comments. Good work

applications_tests/lethe-fluid-particles/qcm_gauss_lobatto_particle_sedimentation.prm

applications_tests/lethe-fluid-particles/qcm_gauss_particle_sedimentation.prm

include/fem-dem/parameters_cfd_dem.h

OGaboriault · 2025-02-27T22:36:20Z

include/fem-dem/void_fraction.h

+        if (this->void_fraction_parameters->quadrature_rule ==
+            Parameters::VoidFractionQuadratureRule::gauss)
+          {
+            if (this->void_fraction_parameters->n_quadrature_points == -1)


here it could be 0

OGaboriault · 2025-02-27T22:37:11Z

include/fem-dem/void_fraction.h

+        if (this->void_fraction_parameters->quadrature_rule ==
+            Parameters::VoidFractionQuadratureRule::gauss_lobatto)
+          {
+            if (this->void_fraction_parameters->n_quadrature_points == -1)


here could be 0

OGaboriault · 2025-02-27T22:37:31Z

source/fem-dem/parameters_cfd_dem.cc

+      "Choose which quadrature rule to follow when distributing quadrature points for the QCM void fraction scheme");
+    prm.declare_entry(
+      "n quadrature points",
+      "-1",


should be zero here

Co-authored-by: OGaboriault <102625061+OGaboriault@users.noreply.github.com>

brunaccampos

Just very minor suggestions

doc/source/parameters/unresolved-cfd-dem/void-fraction.rst

Co-authored-by: Bruna Campos <76260238+brunaccampos@users.noreply.github.com>

blaisb

Very good.

blaisb · 2025-03-01T17:38:11Z

applications_tests/lethe-fluid-particles/qcm_gauss_lobatto_particle_sedimentation.prm

+# SPDX-FileCopyrightText: Copyright (c) 2021-2024 The Lethe Authors
+# SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception OR LGPL-2.1-or-later
+
+# Listing of Parameters


doc/source/parameters/unresolved-cfd-dem/void-fraction.rst

Add parameters to control quadrature rule and number of quadrature po…

153e4a5

…ints to be applied on qcm

voferreira added the WIP When a PR is open but not ready for review label Feb 26, 2025

voferreira force-pushed the qcm_gauss_lobatto branch from 2df3c3c to 153e4a5 Compare February 27, 2025 14:44

voferreira added 2 commits February 27, 2025 09:46

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voferreira added Ready for review and removed WIP When a PR is open but not ready for review labels Feb 27, 2025

voferreira requested a review from OGaboriault February 27, 2025 15:54

brunaccampos self-requested a review February 27, 2025 16:23

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Apply suggestion by Olivier to use default value of 0

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Remove unnecessary runtime error

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Update doc/source/parameters/unresolved-cfd-dem/void-fraction.rst

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blaisb merged commit 9d066a2 into master Mar 1, 2025
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For QCM, add parameters to control quadrature rule and number of quadrature points #1432

For QCM, add parameters to control quadrature rule and number of quadrature points #1432

voferreira commented Feb 26, 2025 •

edited by OGaboriault

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		else
		quadrature = std::make_shared<QGauss<dim>>(fe->degree + 1);

		quadrature = std::make_shared<QGaussLobatto<dim>>(
		this->void_fraction_parameters->qcm_n_quadrature_points);

For QCM, add parameters to control quadrature rule and number of quadrature points #1432

For QCM, add parameters to control quadrature rule and number of quadrature points #1432

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voferreira commented Feb 26, 2025 • edited by OGaboriault Loading

Description

Testing

Documentation

Miscellaneous (will be removed when merged)

Checklist (will be removed when merged)

blaisb commented Feb 27, 2025

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voferreira commented Feb 26, 2025 •

edited by OGaboriault

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