From 15b0fa90a18c68c18393c30f4853443ab11fa8a9 Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Fri, 16 Feb 2018 08:23:55 -0500 Subject: [PATCH] New spectral method example on thermally expanding Eshelby inclusion --- .../EshelbyInclusion/config/elastic_Ti.config | 7 + .../config/elastic_fullyAnisotropic.config | 11 + .../config/elastic_isotropic.config | 4 + .../EshelbyInclusion/config/thermal.config | 3 + .../config/thermalExpansion_Ti.config | 8 + .../thermalExpansion_fullyAnisotropic.config | 9 + .../config/thermalExpansion_isotropic.config | 6 + .../EshelbyInclusion/geom/Ti_Ti.geom | 427 ++++++++++++++++++ .../geom/isotropic_anisotropic.geom | 427 ++++++++++++++++++ .../geom/isotropic_isotropic.geom | 427 ++++++++++++++++++ .../geom/isotropic_rotated.geom | 427 ++++++++++++++++++ .../EshelbyInclusion/material.config | 111 +++++ .../EshelbyInclusion/numerics.config | 5 + .../SpectralMethod/EshelbyInclusion/runAll.sh | 56 +++ .../EshelbyInclusion/thermal.load | 1 + 15 files changed, 1929 insertions(+) create mode 100644 examples/SpectralMethod/EshelbyInclusion/config/elastic_Ti.config create mode 100644 examples/SpectralMethod/EshelbyInclusion/config/elastic_fullyAnisotropic.config create mode 100644 examples/SpectralMethod/EshelbyInclusion/config/elastic_isotropic.config create mode 100644 examples/SpectralMethod/EshelbyInclusion/config/thermal.config create mode 100644 examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_Ti.config create mode 100644 examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_fullyAnisotropic.config create mode 100644 examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_isotropic.config create mode 100644 examples/SpectralMethod/EshelbyInclusion/geom/Ti_Ti.geom create mode 100644 examples/SpectralMethod/EshelbyInclusion/geom/isotropic_anisotropic.geom create mode 100644 examples/SpectralMethod/EshelbyInclusion/geom/isotropic_isotropic.geom create mode 100644 examples/SpectralMethod/EshelbyInclusion/geom/isotropic_rotated.geom create mode 100644 examples/SpectralMethod/EshelbyInclusion/material.config create mode 100644 examples/SpectralMethod/EshelbyInclusion/numerics.config create mode 100755 examples/SpectralMethod/EshelbyInclusion/runAll.sh create mode 100644 examples/SpectralMethod/EshelbyInclusion/thermal.load diff --git a/examples/SpectralMethod/EshelbyInclusion/config/elastic_Ti.config b/examples/SpectralMethod/EshelbyInclusion/config/elastic_Ti.config new file mode 100644 index 000000000..b103eb112 --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/config/elastic_Ti.config @@ -0,0 +1,7 @@ +elasticity hooke + +c11 160.0e9 +c12 90.0e9 +c13 66.0e9 +c33 181.7e9 +c44 46.5e9 diff --git a/examples/SpectralMethod/EshelbyInclusion/config/elastic_fullyAnisotropic.config b/examples/SpectralMethod/EshelbyInclusion/config/elastic_fullyAnisotropic.config new file mode 100644 index 000000000..700a37dbd --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/config/elastic_fullyAnisotropic.config @@ -0,0 +1,11 @@ +elasticity hooke + +c11 100.0e9 +c22 100.0e9 +c33 100.0e9 +c12 0.0e9 +c13 0.0e9 +c23 0.0e9 +c44 50.0e9 +c55 50.0e9 +c66 50.0e9 diff --git a/examples/SpectralMethod/EshelbyInclusion/config/elastic_isotropic.config b/examples/SpectralMethod/EshelbyInclusion/config/elastic_isotropic.config new file mode 100644 index 000000000..7574e9301 --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/config/elastic_isotropic.config @@ -0,0 +1,4 @@ +elasticity hooke + +c11 100.0e9 +c12 0.0e9 diff --git a/examples/SpectralMethod/EshelbyInclusion/config/thermal.config b/examples/SpectralMethod/EshelbyInclusion/config/thermal.config new file mode 100644 index 000000000..50e50f3b3 --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/config/thermal.config @@ -0,0 +1,3 @@ +reference_temperature 300.0 +specific_heat 1 +mass_density 1 diff --git a/examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_Ti.config b/examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_Ti.config new file mode 100644 index 000000000..5457be845 --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_Ti.config @@ -0,0 +1,8 @@ +(kinematics) thermal_expansion +thermal_expansion11 9.5e-6 +thermal_expansion22 9.5e-6 +thermal_expansion33 5.6e-6 + +(source) thermal_externalheat +externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt +externalheat_rate 1 1 -1 -1 diff --git a/examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_fullyAnisotropic.config b/examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_fullyAnisotropic.config new file mode 100644 index 000000000..7190656d3 --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_fullyAnisotropic.config @@ -0,0 +1,9 @@ +(kinematics) thermal_expansion +thermal_expansion11 5e-6 +thermal_expansion22 10e-6 +thermal_expansion33 20e-6 +lattice_structure orthorhombic + +(source) thermal_externalheat +externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt +externalheat_rate 1 1 -1 -1 diff --git a/examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_isotropic.config b/examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_isotropic.config new file mode 100644 index 000000000..5d039bec9 --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_isotropic.config @@ -0,0 +1,6 @@ +(kinematics) thermal_expansion +thermal_expansion11 10e-6 + +(source) thermal_externalheat +externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt +externalheat_rate 1 1 -1 -1 diff --git a/examples/SpectralMethod/EshelbyInclusion/geom/Ti_Ti.geom b/examples/SpectralMethod/EshelbyInclusion/geom/Ti_Ti.geom new file mode 100644 index 000000000..28b49f368 --- /dev/null +++ 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of 1 +14 of 5 +19 of 1 +12 of 5 +20 of 1 +12 of 5 +20 of 1 +12 of 5 +21 of 1 +10 of 5 +23 of 1 +8 of 5 +27 of 1 +2 of 5 +637 of 1 +4 of 5 +26 of 1 +8 of 5 +23 of 1 +10 of 5 +22 of 1 +10 of 5 +21 of 1 +12 of 5 +20 of 1 +12 of 5 +20 of 1 +12 of 5 +20 of 1 +12 of 5 +21 of 1 +10 of 5 +22 of 1 +10 of 5 +23 of 1 +8 of 5 +26 of 1 +4 of 5 +701 of 1 +2 of 5 +28 of 1 +6 of 5 +25 of 1 +8 of 5 +24 of 1 +8 of 5 +23 of 1 +10 of 5 +22 of 1 +10 of 5 +23 of 1 +8 of 5 +24 of 1 +8 of 5 +25 of 1 +6 of 5 +28 of 1 +2 of 5 +798 of 1 +2 of 5 +29 of 1 +4 of 5 +27 of 1 +6 of 5 +26 of 1 +6 of 5 +27 of 1 +4 of 5 +29 of 1 +2 of 5 +8623 of 1 diff --git a/examples/SpectralMethod/EshelbyInclusion/material.config b/examples/SpectralMethod/EshelbyInclusion/material.config new file mode 100644 index 000000000..83298680b --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/material.config @@ -0,0 +1,111 @@ +#-------------------# + +#-------------------# + +[direct] +type none # isostrain 1 grain + +thermal adiabatic # thermal strain (stress) induced mass transport +initialT 300.0 +(output) temperature + +#-------------------# + +#-------------------# + +[aLittleSomething] + +(output) texture +(output) f +(output) p +(output) fe +(output) fi +(output) fp + +#-------------------# + +#-------------------# + +#................. +[isotropic matrix] + +lattice_structure isotropic +plasticity none +{config/elastic_isotropic.config} +{config/thermal.config} + +#................. +[Ti matrix] + +lattice_structure hex +covera_ratio 1.587 +plasticity none +{config/elastic_Ti.config} +{config/thermal.config} + +#................. +[isotropic inclusion] + +lattice_structure isotropic +plasticity none +{config/elastic_isotropic.config} +{config/thermal.config} +{config/thermalExpansion_isotropic.config} + +#................. +[anisotropic inclusion] + +lattice_structure orthorhombic +plasticity none +{config/elastic_fullyAnisotropic.config} +{config/thermal.config} +{config/thermalExpansion_fullyAnisotropic.config} + +#................. +[Ti inclusion] + +lattice_structure hex +covera_ratio 1.587 +plasticity none +{config/elastic_Ti.config} +{config/thermal.config} +{config/thermalExpansion_Ti.config} + +#--------------------------# + +#--------------------------# + +[isotropic matrix] +crystallite 1 +(constituent) phase 1 texture 1 fraction 1.0 + +[Ti matrix] +crystallite 1 +(constituent) phase 2 texture 1 fraction 1.0 + +[isotropic inclusion] +crystallite 1 +(constituent) phase 3 texture 1 fraction 1.0 + +[anisotropic inclusion] +crystallite 1 +(constituent) phase 4 texture 1 fraction 1.0 + +[rotated inclusion] +crystallite 1 +(constituent) phase 4 texture 2 fraction 1.0 + +[Ti inclusion] +crystallite 1 +(constituent) phase 5 texture 1 fraction 1.0 + +#--------------------------# + +#--------------------------# + +[cube] +(gauss) phi1 0.0 Phi 0.0 phi2 0.0 scatter 0.0 fraction 1.0 + +[rotated] +(gauss) phi1 0.0 Phi 45.0 phi2 0.0 scatter 0.0 fraction 1.0 + diff --git a/examples/SpectralMethod/EshelbyInclusion/numerics.config b/examples/SpectralMethod/EshelbyInclusion/numerics.config new file mode 100644 index 000000000..191c204c8 --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/numerics.config @@ -0,0 +1,5 @@ +#spectralsolver polarisation +spectralderivative fwbw_difference +err_div_tolrel 1e-3 +itmin 2 +petsc_options -mech_snes_type anderson -mech_snes_anderson_beta 1.0 -mech_snes_anderson_restart 10 -thermal_snes_type anderson -thermal_snes_anderson_beta 1.0 diff --git a/examples/SpectralMethod/EshelbyInclusion/runAll.sh b/examples/SpectralMethod/EshelbyInclusion/runAll.sh new file mode 100755 index 000000000..27630bc39 --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/runAll.sh @@ -0,0 +1,56 @@ +#!/usr/local/bin/bash + +for geom in $(ls geom/*.geom) +do + base=${geom%.geom} + base=${base#geom/} + name=${base}_thermal + vtr=${base}.vtr + + [[ -f ${name}.spectralOut ]] || \ + DAMASK_spectral \ + --workingdir ./ \ + --load thermal.load \ + --geom $geom \ + > ${name}.out + + if [ ! -f postProc/${name}_inc10.txt ] + then + postResults ${name}.spectralOut \ + --ho temperature \ + --cr f,fe,fi,fp,p \ + --split \ + --separation x,y,z \ + + addCauchy postProc/${name}_inc*.txt \ + + addDeviator postProc/${name}_inc*.txt \ + --spherical \ + --tensor p,Cauchy \ + + addDisplacement postProc/${name}_inc*.txt \ + --nodal \ + + fi + + geom_check ${geom} + + for inc in {00..10} + do + echo "generating postProc/${name}_inc${inc}.vtr" + cp geom/${vtr} postProc/${name}_inc${inc}.vtr + vtk_addRectilinearGridData \ + postProc/${name}_inc${inc}.txt \ + --inplace \ + --vtk postProc/${name}_inc${inc}.vtr \ + --data 'sph(p)','sph(Cauchy)',temperature \ + --tensor f,fe,fi,fp,p,Cauchy \ + + vtk_addRectilinearGridData \ + postProc/${name}_inc${inc}_nodal.txt \ + --inplace \ + --vtk postProc/${name}_inc${inc}.vtr \ + --data 'avg(f).pos','fluct(f).pos' \ + + done +done diff --git a/examples/SpectralMethod/EshelbyInclusion/thermal.load b/examples/SpectralMethod/EshelbyInclusion/thermal.load new file mode 100644 index 000000000..a13aaa9e3 --- /dev/null +++ b/examples/SpectralMethod/EshelbyInclusion/thermal.load @@ -0,0 +1 @@ +Fdot 0 0 0 0 0 0 0 0 0 stress * * * * * * * * * time 1000 incs 10