diff --git a/two-scale-notch/README.md b/two-scale-notch/README.md new file mode 100644 index 000000000..dec0dfcaf --- /dev/null +++ b/two-scale-notch/README.md @@ -0,0 +1,73 @@ +--- +title: Two-scale notch +permalink: tutorials-two-scale-notch.html +keywords: Macro-micro, Micro Manager, CalculiX, FANS, FE-FFT +summary: We solve a two-scale notch problem with a micro-structure based material. One macro simulation is coupled to several micro simulations using the Micro Manager. +--- + +{% note %} +Get the [case files of this tutorial](https://github.com/precice/tutorials/tree/master/two-scale-notch). Read how in the [tutorials introduction](https://precice.org/tutorials.html). +{% endnote %} + +## Setup + +This tutorial solves a linear elastic static problem on a 3D notch geometry which has an underlying micro-structure. The notch is fixed at one end and has a force boundary condition at the other end. + +Von Mises stress on macro scale + +The micro-structure is a 3D sphere enclosed in a unit square box. + +Micro structure + +The micro-structure needs to be evaluated to obtain the stresses and the material stiffness matrix, both necessary for solving the problem on the macro scale. This leads to a two-scale problem with one macro-scale simulation and several micro-scale simulations. + +At each Gauss point of the macro domain there exists a micro simulation. The macro problem is one participant, which is coupled to many micro simulations. Each micro simulation is not an individual coupling participant, instead we use the [Micro Manager](https://github.com/precice/micro-manager), which controls all the micro simulations and is itself a coupling participant. + +## Configuration + +preCICE configuration (image generated using the [precice-config-visualizer](https://precice.org/tooling-config-visualization.html)): + +![preCICE configuration visualization](images/tutorials-two-scale-notch-precice-config.png) + +## Available solvers and dependencies + +* The macro notch problem is solved using [CalculiX](https://www.calculix.de/), so it required the [CalculiX adapter](https://github.com/precice/calculix-adapter). +* The micro problem is solved using [FANS](https://github.com/DataAnalyticsEngineering/FANS/tree/develop). FANS needs to be compiled in a Python-wrapped library form, check the [documentation](https://github.com/DataAnalyticsEngineering/FANS/blob/develop/pyfans/README.md) on how to do this. +* The [Micro Manager](https://precice.org/tooling-micro-manager-installation.html) controls all micro-simulations and facilitates coupling via preCICE. Use the [develop](https://github.com/precice/micro-manager/tree/develop) branch of the Micro Manager. + +## Running the simulation + +You can find the corresponding `run.sh` script for running the case in the folders corresponding to the solvers you want to use. + +Run the macro problem: + +```bash +cd macro-calculix +./run.sh +``` + +Check the Micro Manager [configuration](https://precice.org/tooling-micro-manager-configuration.html) and [running](https://precice.org/tooling-micro-manager-running.html) documentation to understand how to set it up and launch it. The Micro Manager can be run via this script in serial or parallel. Run it in serial: + +```bash +cd micro-fans +./run.sh -s +``` + +## Running the simulation in parallel + +```bash +cd micro-fans +./run.sh -p +``` + +The `num_procs` needs to fit the decomposition specified in the `micro-manager-config.json` (default is serial). See the documentation on [how to set domain decomposition](https://precice.org/tooling-micro-manager-configuration.html#domain-decomposition) in the Micro Manager configuration. + +**NOTE**: When running `micro-fans`, even though the case setup and involved physics is simple, each micro simulation is a FANS simulation with a mesh of 32x32x32 nodes, which usually has a moderately high computation time. If the Micro Manager is run in serial, the total runtime is approximately 30 minutes. + +## Post-processing + +The final von Mises stress on the macro scale look like + +Von Mises stress on macro scale + +The result is generated by converting the CalculiX `.frd` output file to a VTU or VTK file using [ccx2paraview](https://github.com/calculix/ccx2paraview), and visualizing it in ParaView. diff --git a/two-scale-notch/clean-tutorial.sh b/two-scale-notch/clean-tutorial.sh new file mode 100755 index 000000000..5dbb6c639 --- /dev/null +++ b/two-scale-notch/clean-tutorial.sh @@ -0,0 +1,11 @@ +#!/usr/bin/env sh +set -e -u + +# shellcheck disable=SC1091 +. ../tools/cleaning-tools.sh + +clean_tutorial . +clean_precice_logs . +rm -fv ./*.log +rm -fv ./*.vtu + diff --git a/two-scale-notch/images/tutorials-two-scale-notch-mesh-with-boundary-conditions.png b/two-scale-notch/images/tutorials-two-scale-notch-mesh-with-boundary-conditions.png new file mode 100644 index 000000000..ccb81723a Binary 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b/two-scale-notch/images/tutorials-two-scale-notch-von-mises-stress.png differ diff --git a/two-scale-notch/macro-calculix/clean.sh b/two-scale-notch/macro-calculix/clean.sh new file mode 100755 index 000000000..32856eac1 --- /dev/null +++ b/two-scale-notch/macro-calculix/clean.sh @@ -0,0 +1,6 @@ +#!/usr/bin/env sh +set -e -u + +. ../../tools/cleaning-tools.sh + +clean_calculix . diff --git a/two-scale-notch/macro-calculix/config.yml b/two-scale-notch/macro-calculix/config.yml new file mode 100755 index 000000000..fb290a518 --- /dev/null +++ b/two-scale-notch/macro-calculix/config.yml @@ -0,0 +1,9 @@ +participants: + Notch: + interfaces: + - elements-mesh: notch-mesh + patch: Eall + read-data: [stresses1to3, stresses4to6, cmat1, cmat2, cmat3, cmat4, cmat5, cmat6, cmat7] + write-data: [strains1to3, strains4to6] + +precice-config-file: ../precice-config.xml diff --git a/two-scale-notch/macro-calculix/notch.inp b/two-scale-notch/macro-calculix/notch.inp new file mode 100644 index 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+8372, 1068, 470, 472, 422 +8373, 351, 352, 422, 1068 +8374, 537, 566, 582, 604 +8375, 272, 234, 951, 950 +8376, 882, 27, 28, 881 +8377, 351, 1068, 422, 470 +8378, 323, 302, 324, 404 +8379, 239, 165, 785, 166 +8380, 846, 847, 654, 849 +8381, 693, 702, 95, 66 +8382, 850, 656, 851, 655 +8383, 1072, 170, 245, 1080 +8384, 10, 912, 914, 660 +8385, 27, 882, 879, 881 +8386, 605, 563, 604, 610 +8387, 1072, 170, 246, 245 +8388, 4, 3, 196, 197 +8389, 39, 228, 22, 793 +8390, 40, 230, 232, 153 +8391, 39, 228, 229, 231 +8392, 40, 228, 157, 22 +8393, 1072, 170, 759, 246 +8394, 1089, 733, 113, 699 +8395, 239, 165, 784, 785 +8396, 191, 271, 272, 270 +8397, 606, 605, 561, 536 +8398, 20, 40, 232, 153 +8399, 1054, 1053, 1048, 581 +8400, 1089, 733, 1088, 113 +8401, 447, 413, 445, 342 +8402, 994, 1045, 560, 999 +8403, 560, 623, 622, 579 +8404, 1089, 733, 698, 1088 +8405, 1089, 733, 699, 698 +8406, 1047, 1053, 581, 1048 +8407, 1054, 627, 581, 1048 +8408, 1046, 622, 623, 579 +8409, 445, 413, 343, 342 +8410, 826, 1073, 182, 825 +8411, 998, 1045, 994, 999 +8412, 343, 413, 313, 342 +8413, 454, 1091, 819, 456 +8414, 60, 1099, 84, 68 +8415, 1045, 1046, 1047, 579 +8416, 560, 559, 992, 601 +8417, 122, 150, 1067, 6 +8418, 469, 864, 861, 862 +8419, 598, 554, 383, 510 +8420, 469, 861, 864, 240 +8421, 86, 680, 705, 708 +8422, 349, 467, 466, 348 +8423, 860, 467, 349, 348 +8424, 560, 992, 559, 994 +8425, 467, 860, 349, 862 +8426, 454, 819, 1091, 822 +8427, 469, 467, 349, 862 +8428, 744, 708, 757, 1067 +8429, 467, 469, 349, 466 +8430, 578, 1049, 589, 632 +8431, 962, 874, 277, 278 +8432, 541, 578, 580, 1049 +8433, 962, 277, 874, 897 +8434, 578, 541, 589, 1049 +8435, 1075, 869, 867, 870 +8436, 1075, 869, 870, 872 +8437, 1075, 869, 872, 477 +8438, 1075, 869, 477, 867 + +** Define element set Eall +*ELSET, ELSET=Eall +Evolumes + + + +*********************************************************** +** Element sets for materials and FEM element type (solid, shell, beam, fluid) +*ELSET,ELSET=MaterialSolidSolid +Evolumes + +*********************************************************** +** constraints fixed node sets +** ConstraintFixed +*NSET,NSET=ConstraintFixed +1033, +1034, +1035, +1036, +1037, +1038, +1039, +1040, +1041, +1042, +1043, +1044, + +** Physical constants for SI(mm) unit system with Kelvins +*PHYSICAL CONSTANTS, ABSOLUTE ZERO=0, STEFAN BOLTZMANN=5.670374419e-11 + +*********************************************************** +** Materials +** see information about units at file end +** FreeCAD material name: CalculiX-Steel +** MaterialSolid +*MATERIAL, NAME=MaterialSolid +*ELASTIC +210000,0.3 + +*********************************************************** +** Sections +*SOLID SECTION, ELSET=MaterialSolidSolid, MATERIAL=MaterialSolid + +*********************************************************** +** At least one step is needed to run an CalculiX analysis of FreeCAD +*STEP, INC=2000 +*STATIC + + +*********************************************************** +** Fixed Constraints +** ConstraintFixed +*BOUNDARY +ConstraintFixed,1 +ConstraintFixed,2 +ConstraintFixed,3 + + +*********************************************************** +** constraints force node loads +*CLOAD +** ConstraintForce +** node loads on shape: Mesh001_solid:Face44 +1016,2,-1.688028706445 +1022,2,-1.688028706445 +1023,2,-1.688028706445 + +** node loads on shape: Mesh001_solid:Face50 +1013,2,-1.688028706445 +1016,2,-1.688028706445 +1022,2,-1.688028706445 + +** node loads on shape: Mesh001_solid:Face51 +1012,2,-1.670449905925 +1013,2,-1.670449905925 +1016,2,-1.670449905925 + +** node loads on shape: Mesh001_solid:Face54 +1010,2,-1.761274271541 +1012,2,-1.761274271541 +1013,2,-1.761274271541 + +** node loads on shape: Mesh001_solid:Face53 +1010,2,-1.701315508948 +1011,2,-1.701315508948 +1012,2,-1.701315508948 + +** node loads on shape: Mesh001_solid:Face56 +1008,2,-1.610491143333 +1010,2,-1.610491143333 +1011,2,-1.610491143333 + +** node loads on shape: Mesh001_solid:Face55 +1008,2,-1.634906331698 +1009,2,-1.634906331698 +1011,2,-1.634906331698 + +** node loads on shape: Mesh001_solid:Face59 +1005,2,-1.634906331698 +1008,2,-1.634906331698 +1009,2,-1.634906331698 + +** node loads on shape: Mesh001_solid:Face58 +1005,2,-1.638632880317 +1007,2,-1.638632880317 +1009,2,-1.638632880317 + +** node loads on shape: Mesh001_solid:Face57 +1005,2,-1.638632880317 +1006,2,-1.638632880317 +1007,2,-1.638632880317 + + + +*********************************************************** +** Outputs --> frd file +*NODE FILE +U +*EL FILE +S, E +** outputs --> dat file +** reaction forces for Constraint fixed +*NODE PRINT, NSET=ConstraintFixed, TOTALS=ONLY +RF + +*OUTPUT, FREQUENCY=1 +*********************************************************** +*END STEP + +*********************************************************** +** CalculiX Input file +** written by --> FreeCAD 1.0.0 +** written on --> Mon Jun 16 17:05:10 2025 +** file name --> notch_model_coarse.FCStd +** analysis name --> Analysis +** +** +*********************************************************** +** About units: +** See ccx manual, ccx does not know about any unit. +** Golden rule: The user must make sure that the numbers they provide have consistent units. +** The user is the FreeCAD calculix writer module ;-) +** +** The unit system which is used at Guido Dhondt's company: mm, N, s, K +** Since Length and Mass are connected by Force, if Length is mm the Mass is in t to get N +** The following units are used to write to inp file: +** +** Length: mm (this includes the mesh geometry) +** Mass: t +** TimeSpan: s +** Temperature: K +** +** This leads to: +** Force: N +** Pressure: N/mm^2 == MPa (Young's Modulus has unit Pressure) +** Density: t/mm^3 +** Gravity: mm/s^2 +** Thermal conductivity: t*mm/K/s^3 == as W/m/K == kW/mm/K +** Specific Heat: mm^2/s^2/K = J/kg/K == kJ/t/K +** diff --git a/two-scale-notch/macro-calculix/run.sh b/two-scale-notch/macro-calculix/run.sh new file mode 100755 index 000000000..e6002e2ba --- /dev/null +++ b/two-scale-notch/macro-calculix/run.sh @@ -0,0 +1,7 @@ +#!/usr/bin/env bash +set -e -u + +. ../../tools/log.sh +exec > >(tee --append "$LOGFILE") 2>&1 + +ccx_preCICE -i notch -precice-participant Notch diff --git a/two-scale-notch/micro-fans/clean.sh b/two-scale-notch/micro-fans/clean.sh new file mode 100755 index 000000000..3e9fd4e51 --- /dev/null +++ b/two-scale-notch/micro-fans/clean.sh @@ -0,0 +1,6 @@ +#!/usr/bin/env sh +set -e -u + +. ../../tools/cleaning-tools.sh + +clean_dumux . diff --git a/two-scale-notch/micro-fans/input.json b/two-scale-notch/micro-fans/input.json new file mode 100644 index 000000000..da1ad94e5 --- /dev/null +++ b/two-scale-notch/micro-fans/input.json @@ -0,0 +1,26 @@ +{ + "microstructure": { + "filepath": "sphere32.h5", + "datasetname": "/sphere/32x32x32/ms", + "L": [1.0, 1.0, 1.0] + }, + "problem_type": "mechanical", + "matmodel": "LinearElasticIsotropic", + "material_properties":{ + "bulk_modulus": [62.5000, 222.222], + "shear_modulus": [28.8462, 166.6667] + }, + + "method": "cg", + "error_parameters":{ + "measure": "Linfinity", + "type": "absolute", + "tolerance": 1e-10 + }, + "n_it": 100, + "macroscale_loading": [ + [[0,0,0,0,0,0]] + ], + + "results": [] +} diff --git a/two-scale-notch/micro-fans/micro-manager-config.json b/two-scale-notch/micro-fans/micro-manager-config.json new file mode 100644 index 000000000..c4211d3a7 --- /dev/null +++ b/two-scale-notch/micro-fans/micro-manager-config.json @@ -0,0 +1,13 @@ +{ + "micro_file_name": "PyFANS", + "coupling_params": { + "precice_config_file_name": "../precice-config.xml", + "macro_mesh_name": "notch-mesh", + "read_data_names": ["strains1to3", "strains4to6"], + "write_data_names": ["stresses1to3", "stresses4to6", "cmat1", "cmat2", "cmat3", "cmat4", "cmat5", "cmat6", "cmat7"] + }, + "simulation_params": { + "micro_dt": 1e-1, + "macro_domain_bounds": [-15, 15, -55, 55, 0, 5] + } +} diff --git a/two-scale-notch/micro-fans/run.sh b/two-scale-notch/micro-fans/run.sh new file mode 100755 index 000000000..1f0db55aa --- /dev/null +++ b/two-scale-notch/micro-fans/run.sh @@ -0,0 +1,29 @@ +#!/usr/bin/env bash +set -e -u + +. ../../tools/log.sh +exec > >(tee --append "$LOGFILE") 2>&1 + +usage() { echo "Usage: cmd [-s] [-p n]" 1>&2; exit 1; } + +# Check if no input argument was provided +if [ -z "$*" ] ; then + echo "No input argument provided. Micro Manager is launched in serial" + micro-manager-precice micro-manager-config.json +fi + +while getopts ":sp" opt; do + case ${opt} in + s) + micro-manager-precice micro-manager-config.json + ;; + p) + mpiexec -n "$2" micro-manager-precice micro-manager-config.json + ;; + *) + usage + ;; + esac +done + +close_log diff --git a/two-scale-notch/micro-fans/sphere32.h5 b/two-scale-notch/micro-fans/sphere32.h5 new file mode 100644 index 000000000..9281cfba3 Binary files /dev/null and b/two-scale-notch/micro-fans/sphere32.h5 differ diff --git a/two-scale-notch/precice-config.xml b/two-scale-notch/precice-config.xml new file mode 100644 index 000000000..35798c3fe --- /dev/null +++ b/two-scale-notch/precice-config.xml @@ -0,0 +1,92 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +