From 9a550a5e88b00b3bf682ac36b1d8f85476471c4a Mon Sep 17 00:00:00 2001 From: Ruxin Zhang Date: Fri, 19 Feb 2021 23:31:28 -0500 Subject: [PATCH 01/19] lattice and mechanics should be parallel --- examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.yaml | 2 +- examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.yaml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.yaml index ce3bbadb7..7cb84eb4f 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.yaml @@ -2,8 +2,8 @@ # Tasan et.al. 2015 International Journal of Plasticity # Diehl et.al. 2015 Meccanica Ferrite: + lattice: cI mechanics: - lattice: cI elasticity: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke} plasticity: N_sl: [12, 12] diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.yaml index ab79ceeb1..3a5becc57 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.yaml @@ -2,8 +2,8 @@ # Tasan et.al. 2015 International Journal of Plasticity # Diehl et.al. 2015 Meccanica Martensite: + lattice: cI mechanics: - lattice: cI elasticity: {C_11: 417.4e9, C_12: 242.4e9, C_44: 211.1e9, type: hooke} plasticity: N_sl: [12, 12] From e658d2d480e707d63dbfe28c35ffaf2dbd96fd12 Mon Sep 17 00:00:00 2001 From: Ruxin Zhang Date: Sat, 20 Feb 2021 01:19:28 -0500 Subject: [PATCH 02/19] generated yaml files according to config files --- .../Phase_Phenopowerlaw_Aluminum.yaml | 15 ++++++++++ .../ConfigFiles/Phase_Phenopowerlaw_Gold.yaml | 20 +++++++++++++ .../Phase_Phenopowerlaw_Magnesium.yaml | 30 +++++++++++++++++++ .../Phase_Phenopowerlaw_cpTi-alpha.yaml | 18 +++++++++++ 4 files changed, 83 insertions(+) create mode 100644 examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml create mode 100644 examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml create mode 100644 examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml create mode 100644 examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml new file mode 100644 index 000000000..01b354b89 --- /dev/null +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml @@ -0,0 +1,15 @@ +Aluminum: + lattice: cF + mechanics: + elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} + plasticity: + N_sl: [12] + a_sl: 2.25 + dot_gamma_0_sl: 0.001 + h_0_sl_sl: 75e6 + h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4] + n_sl: 20 + output: [xi_sl, gamma_sl] + type: phenopowerlaw + xi_0_sl: [31e6] + xi_inf_sl: [63e6] diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml new file mode 100644 index 000000000..39db9d65c --- /dev/null +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml @@ -0,0 +1,20 @@ +# parameters fitted by D. Ma to: +# I. Kovács, G. Vörös +# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals +# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35–43 +# DOI: 10.1016/S0749-6419(95)00043-7 +Gold: + lattice: cF + mechanics: + elasticity: {C_11: 191.0e9, C_12: 162.0e9, C_44: 42.20e9, type: hooke} + plasticity: + N_sl: [12] + a_sl: 1.0 + dot_gamma_0_sl: 0.001 + h_0_sl_sl: 75e6 + h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4] + n_sl: 83.3 + output: [xi_sl] + type: phenopowerlaw + xi_0_sl: [26.25e6] + xi_inf_sl: [53.00e6] diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml new file mode 100644 index 000000000..dd5f6064e --- /dev/null +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml @@ -0,0 +1,30 @@ +# Tromans 2011, Elastic Anisotropy of HCP Metal Crystals and Polycrystals +Magnesium: + lattice: hP + c/a: 1.62350 + mechanics: + elasticity: {C_11: 59.3e9, C_12: 25.7e9, C_13: 21.4e9, C_33: 61.5e9, C_44: 16.4e9, type: hooke} + plasticity: + N_sl: [3, 3, 0, 6, 0, 6] + N_tw: [6, 0, 0, 6] + h_0_tw_tw: 50.0e6 + h_0_sl_sl: 500.0e6 + h_0_tw_sl: 150.0e6 + h_sl_sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] + h_tw_tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] + h_sl_tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] + h_tw_sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] + output: [xi_sl, xi_tw] + type: phenopowerlaw + xi_0_sl: [10.0e6, 55.0e6, 0, 60.0e6, 0.0, 60.0e6] + xi_inf_sl: [40.0e6, 135.0e6, 0, 150.0e6, 0.0, 150.0e6] + xi_0_tw: [40e6, 0.0, 0.0, 60.0e6] +#################################################### +# open for discussion +#################################################### + a_sl: 2.25 + dot_gamma_0_sl: 0.001 + dot_gamma_0_tw: 0.001 + n_sl: 20 + n_tw: 20 + f_sl_sat_tw: 10.0 diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml new file mode 100644 index 000000000..4fa40924e --- /dev/null +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml @@ -0,0 +1,18 @@ +# M. Levy, Handbook of Elastic Properties of Solids, Liquids, and Gases (2001) +# C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012 +Ti-alpha: + lattice: hP + c/a: 1.587 + mechanics: + elasticity: {C_11: 160.0e9, C_12: 90.0e9, C_13: 211.1e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke} + plasticity: + N_sl: [3, 3, 0, 6] + a_sl: 2.0 + dot_gamma_0_sl: 0.001 + h_0_sl_sl: 15e6 + h_sl_sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] + n_sl: 20 + output: [gamma_sl] + type: phenopowerlaw + xi_0_sl: [349.3e6, 150e6, 0, 1107.9e6] + xi_inf_sl: [568.6e6, 1502.2e6, 0, 3420.1e6] From 5d0e9b186386bbceb12f8d795321dbf6a38d2d5d Mon Sep 17 00:00:00 2001 From: Ruxin Zhang Date: Sat, 20 Feb 2021 01:39:29 -0500 Subject: [PATCH 03/19] some letters in annotation raised error, got rid of them --- examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml index 39db9d65c..850becf6c 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml @@ -1,5 +1,5 @@ # parameters fitted by D. Ma to: -# I. Kovács, G. Vörös +# I. Kovacs, G. Voros # On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals # International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35–43 # DOI: 10.1016/S0749-6419(95)00043-7 From b04a05c2ea5e56280f060159e7d991eb2d2094bc Mon Sep 17 00:00:00 2001 From: Ruxin Zhang Date: Sat, 20 Feb 2021 01:41:29 -0500 Subject: [PATCH 04/19] some letters in annotation raised error, got rid of them --- examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml | 5 ----- 1 file changed, 5 deletions(-) diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml index 850becf6c..370009dde 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml @@ -1,8 +1,3 @@ -# parameters fitted by D. Ma to: -# I. Kovacs, G. Voros -# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals -# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35–43 -# DOI: 10.1016/S0749-6419(95)00043-7 Gold: lattice: cF mechanics: From 14b16fd6465f09c4ee9bb2ec6bd13f146d8e8a9c Mon Sep 17 00:00:00 2001 From: Ruxin Zhang Date: Sat, 20 Feb 2021 04:36:52 -0500 Subject: [PATCH 05/19] added output under mechanics --- examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml | 1 + examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml | 1 + examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml | 1 + examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml | 1 + 4 files changed, 4 insertions(+) diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml index 01b354b89..1c15206b7 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml @@ -1,6 +1,7 @@ Aluminum: lattice: cF mechanics: + output: [F, P, F_e, F_p, L_p, O] elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} plasticity: N_sl: [12] diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml index 370009dde..6f55af739 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml @@ -1,6 +1,7 @@ Gold: lattice: cF mechanics: + output: [F, P, F_e, F_p, L_p, O] elasticity: {C_11: 191.0e9, C_12: 162.0e9, C_44: 42.20e9, type: hooke} plasticity: N_sl: [12] diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml index dd5f6064e..7ae4699e0 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml @@ -3,6 +3,7 @@ Magnesium: lattice: hP c/a: 1.62350 mechanics: + output: [F, P, F_e, F_p, L_p, O] elasticity: {C_11: 59.3e9, C_12: 25.7e9, C_13: 21.4e9, C_33: 61.5e9, C_44: 16.4e9, type: hooke} plasticity: N_sl: [3, 3, 0, 6, 0, 6] diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml index 4fa40924e..789986138 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml @@ -4,6 +4,7 @@ Ti-alpha: lattice: hP c/a: 1.587 mechanics: + output: [F, P, F_e, F_p, L_p, O] elasticity: {C_11: 160.0e9, C_12: 90.0e9, C_13: 211.1e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke} plasticity: N_sl: [3, 3, 0, 6] From c299585b67364f43d0587e46868d99d6ff436452 Mon Sep 17 00:00:00 2001 From: Ruxin Zhang Date: Sun, 21 Feb 2021 17:36:45 -0500 Subject: [PATCH 06/19] For Ti-alpha, corrected the inconsistencies according to reference by C. Zambaldi et al --- .../ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.config | 8 ++++---- .../ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml | 10 +++++----- 2 files changed, 9 insertions(+), 9 deletions(-) diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.config b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.config index 93d45def7..b6c35c1cb 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.config +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.config @@ -14,10 +14,10 @@ c44 46.5e9 # C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012 gdot0_slip 0.001 n_slip 20 -nslip 3 3 0 6 -tau0_slip 349.3e6 150e6 0 1107.9e6 -tausat_slip 568.6e6 1502.2e6 0 3420.1e6 +nslip 3 3 0 0 12 +tau0_slip 349e6 150e6 0 0 1107e6 +tausat_slip 568e6 1502e6 0 0 3420e6 a_slip 2 -h0_slipslip 15e6 +h0_slipslip 200e6 interaction_slipslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml index 789986138..7931ec267 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml @@ -5,15 +5,15 @@ Ti-alpha: c/a: 1.587 mechanics: output: [F, P, F_e, F_p, L_p, O] - elasticity: {C_11: 160.0e9, C_12: 90.0e9, C_13: 211.1e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke} + elasticity: {C_11: 160.0e9, C_12: 90.0e9, C_13: 66.0e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke} plasticity: - N_sl: [3, 3, 0, 6] + N_sl: [3, 3, 0, 0, 12] a_sl: 2.0 dot_gamma_0_sl: 0.001 - h_0_sl_sl: 15e6 + h_0_sl_sl: 200e6 h_sl_sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] n_sl: 20 output: [gamma_sl] type: phenopowerlaw - xi_0_sl: [349.3e6, 150e6, 0, 1107.9e6] - xi_inf_sl: [568.6e6, 1502.2e6, 0, 3420.1e6] + xi_0_sl: [349e6, 150e6, 0, 0, 1107e6] + xi_inf_sl: [568e6, 1502e6, 0, 0, 3420e6] From 5348305ac87810401ad78b04fbc1ae088582df5d Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Mon, 22 Feb 2021 14:42:54 +0100 Subject: [PATCH 07/19] restart key part of loadstep and not time discretization --- PRIVATE | 2 +- src/grid/DAMASK_grid.f90 | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/PRIVATE b/PRIVATE index 751a45927..3efdf7dd9 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 751a45927708e9157b6e02b645249afb27cccf70 +Subproject commit 3efdf7dd9de96fe6c55240ecf6d0d78d9d0e36ec diff --git a/src/grid/DAMASK_grid.f90 b/src/grid/DAMASK_grid.f90 index ed1ada171..d250e2f53 100644 --- a/src/grid/DAMASK_grid.f90 +++ b/src/grid/DAMASK_grid.f90 @@ -225,8 +225,8 @@ program DAMASK_grid loadCases(l)%t = step_discretization%get_asFloat('t') loadCases(l)%N = step_discretization%get_asInt ('N') loadCases(l)%r = step_discretization%get_asFloat('r', defaultVal= 1.0_pReal) - loadCases(l)%f_restart = step_discretization%get_asInt ('f_restart', defaultVal=huge(0)) + loadCases(l)%f_restart = load_step%get_asInt('f_restart', defaultVal=huge(0)) loadCases(l)%f_out = load_step%get_asInt('f_out', defaultVal=1) loadCases(l)%estimate_rate = (load_step%get_asBool('estimate_rate',defaultVal=.true.) .and. & merge(.true.,.false.,l > 1)) From 5c2b3846a21f6b50e1b4e2c08620dc259948566b Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Mon, 22 Feb 2021 10:20:04 -0500 Subject: [PATCH 08/19] fixed more yaml example configs --- .../Phase_Isotropic_AluminumIsotropic.yaml | 4 ++-- .../Phase_Isotropic_FreeSurface.yaml | 4 ++-- .../ConfigFiles/Phase_Phenopowerlaw_Gold.yaml | 20 ++++++++++++------- 3 files changed, 17 insertions(+), 11 deletions(-) diff --git a/examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml b/examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml index 7b05140cb..cd6c2eb24 100644 --- a/examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml +++ b/examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml @@ -1,9 +1,9 @@ # Kuo, J. C., Mikrostrukturmechanik von Bikristallen mit Kippkorngrenzen. Shaker-Verlag 2004. http://edoc.mpg.de/204079 Aluminum: + lattice: aP mechanics: - lattice: aP - elasticity: {C_11: 110.9e9, C_12: 58.34e9, type: hooke} output: [F, P, Fe, Fp, Lp] + elasticity: {type: hooke, C_11: 110.9e9, C_12: 58.34e9} plasticity: type: isotropic output: [xi] diff --git a/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml b/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml index 4d9690f44..db1636f28 100644 --- a/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml +++ b/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml @@ -1,9 +1,9 @@ # Maiti and Eisenlohr 2018 Scripta Materialia Air: + lattice: aP mechanics: - lattice: aP - elasticity: {C_11: 10e9, C_12: 0.0, type: hooke} output: [F, P, Fe, Fp, Lp] + elasticity: {type: hooke, C_11: 10e9, C_12: 0.0} plasticity: type: isotropic output: [xi] diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml index 6f55af739..475abfac3 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml @@ -1,16 +1,22 @@ +# parameters fitted by D. Ma to: +# I. Kovács, G. Vörös +# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals +# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35–43 +# DOI: 10.1016/S0749-6419(95)00043-7 + Gold: lattice: cF mechanics: output: [F, P, F_e, F_p, L_p, O] - elasticity: {C_11: 191.0e9, C_12: 162.0e9, C_44: 42.20e9, type: hooke} + elasticity: {type: hooke, C_11: 191e9, C_12: 162e9, C_44: 42.2e9} plasticity: + type: phenopowerlaw + output: [xi_sl] N_sl: [12] - a_sl: 1.0 + n_sl: 83 dot_gamma_0_sl: 0.001 h_0_sl_sl: 75e6 h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4] - n_sl: 83.3 - output: [xi_sl] - type: phenopowerlaw - xi_0_sl: [26.25e6] - xi_inf_sl: [53.00e6] + a_sl: 1.0 + xi_0_sl: [26e6] + xi_inf_sl: [53e6] From e7e5f9a57c2da12a791bd3ac75e67a504aa8b93e Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Mon, 22 Feb 2021 10:30:34 -0500 Subject: [PATCH 09/19] more robust air stiffness values --- examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml b/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml index db1636f28..3e245cc6e 100644 --- a/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml +++ b/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml @@ -1,9 +1,8 @@ -# Maiti and Eisenlohr 2018 Scripta Materialia Air: lattice: aP mechanics: output: [F, P, Fe, Fp, Lp] - elasticity: {type: hooke, C_11: 10e9, C_12: 0.0} + elasticity: {type: hooke, C_11: 1e8, C_12: 1e6} plasticity: type: isotropic output: [xi] @@ -14,4 +13,4 @@ Air: M: 3 h_0: 1e6 a: 2 - dilatation: true + dilatation: True From 164d216df450ff4b0e8ea16fe9bd370b3b345122 Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Mon, 22 Feb 2021 10:41:05 -0500 Subject: [PATCH 10/19] added updated PRIVATE that includes tests for examples/ConfigFiles --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index 2ed5cd4ba..f22de7476 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 2ed5cd4ba97b44ad9c8b61ced94060aee57a2dd8 +Subproject commit f22de7476efb703b91fe66310c75dce98772b21f From e86a7a931510f40be9e3804fd60fafb8459e06d0 Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Mon, 22 Feb 2021 10:48:04 -0500 Subject: [PATCH 11/19] dropping "alpha" for cpTi as it is by definition hexagonal --- ...powerlaw_cpTi-alpha.config => Phase_Phenopowerlaw_cpTi.config} | 0 ...henopowerlaw_cpTi-alpha.yaml => Phase_Phenopowerlaw_cpTi.yaml} | 0 2 files changed, 0 insertions(+), 0 deletions(-) rename examples/ConfigFiles/{Phase_Phenopowerlaw_cpTi-alpha.config => Phase_Phenopowerlaw_cpTi.config} (100%) rename examples/ConfigFiles/{Phase_Phenopowerlaw_cpTi-alpha.yaml => Phase_Phenopowerlaw_cpTi.yaml} (100%) diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.config b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.config similarity index 100% rename from examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.config rename to examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.config diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.yaml similarity index 100% rename from examples/ConfigFiles/Phase_Phenopowerlaw_cpTi-alpha.yaml rename to examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.yaml From e9422efe652721c2b477023af0569a1aae03f8b5 Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Mon, 22 Feb 2021 10:49:32 -0500 Subject: [PATCH 12/19] removed unencodable characters --- examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml index 475abfac3..f84b2eb05 100644 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml +++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml @@ -1,7 +1,6 @@ # parameters fitted by D. Ma to: -# I. Kovács, G. Vörös # On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals -# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35–43 +# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35-43 # DOI: 10.1016/S0749-6419(95)00043-7 Gold: From a62f7a90a8c8eb77f2d43ee2d2c7ac5ed2c6b13a Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Mon, 22 Feb 2021 11:24:44 -0500 Subject: [PATCH 13/19] fixed Fe --> F_e and such --- examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml | 2 +- examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml b/examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml index cd6c2eb24..02e2d9a28 100644 --- a/examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml +++ b/examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml @@ -2,7 +2,7 @@ Aluminum: lattice: aP mechanics: - output: [F, P, Fe, Fp, Lp] + output: [F, P, F_e, F_p, L_p] elasticity: {type: hooke, C_11: 110.9e9, C_12: 58.34e9} plasticity: type: isotropic diff --git a/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml b/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml index 3e245cc6e..90f88d679 100644 --- a/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml +++ b/examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml @@ -1,7 +1,7 @@ Air: lattice: aP mechanics: - output: [F, P, Fe, Fp, Lp] + output: [F, P, F_e, F_p, L_p] elasticity: {type: hooke, C_11: 1e8, C_12: 1e6} plasticity: type: isotropic From 2d49ebc460a76c32f6f20d7fdd9145333d3027fc Mon Sep 17 00:00:00 2001 From: Test User Date: Mon, 22 Feb 2021 19:08:00 +0100 Subject: [PATCH 14/19] [skip ci] updated version information after successful test of v3.0.0-alpha2-490-g4d5e5cfb7 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 26e9be190..aae4cbbae 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v3.0.0-alpha2-478-gc9e4dc21f +v3.0.0-alpha2-490-g4d5e5cfb7 From fe674ba7b67c1ccbe7e685ab4d53a23a9ed7d2d9 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 22 Feb 2021 19:08:33 +0100 Subject: [PATCH 15/19] not needed --- .../Homogenization_multiField.config | 8 --- .../Phase_Phenopowerlaw_Aluminum.config | 21 ------- .../Phase_Phenopowerlaw_Gold.config | 27 --------- .../Phase_Phenopowerlaw_Magnesium.config | 56 ------------------- .../Phase_Phenopowerlaw_cpTi.config | 23 -------- examples/ConfigFiles/Texture_Gauss_001.config | 2 - examples/ConfigFiles/Texture_Gauss_101.config | 2 - examples/ConfigFiles/Texture_Gauss_111.config | 2 - examples/ConfigFiles/Texture_Gauss_123.config | 2 - examples/ConfigFiles/material.config | 20 ------- 10 files changed, 163 deletions(-) delete mode 100644 examples/ConfigFiles/Homogenization_multiField.config delete mode 100644 examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.config delete mode 100644 examples/ConfigFiles/Phase_Phenopowerlaw_Gold.config delete mode 100644 examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.config delete mode 100644 examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.config delete mode 100644 examples/ConfigFiles/Texture_Gauss_001.config delete mode 100644 examples/ConfigFiles/Texture_Gauss_101.config delete mode 100644 examples/ConfigFiles/Texture_Gauss_111.config delete mode 100644 examples/ConfigFiles/Texture_Gauss_123.config delete mode 100644 examples/ConfigFiles/material.config diff --git a/examples/ConfigFiles/Homogenization_multiField.config b/examples/ConfigFiles/Homogenization_multiField.config deleted file mode 100644 index 7dd63cc73..000000000 --- a/examples/ConfigFiles/Homogenization_multiField.config +++ /dev/null @@ -1,8 +0,0 @@ -[SX] -type isostrain -Ngrains 1 -{./Homogenization_Damage_NonLocal.config} -{./Homogenization_Thermal_Conduction.config} -{./Homogenization_VacancyFlux_CahnHilliard.config} -{./Homogenization_Porosity_PhaseField.config} -{./Homogenization_HydrogenFlux_CahnHilliard.config} diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.config b/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.config deleted file mode 100644 index 72421a640..000000000 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.config +++ /dev/null @@ -1,21 +0,0 @@ -[Aluminum] -elasticity hooke -plasticity phenopowerlaw - -(output) resistance_slip -(output) accumulatedshear_slip - -lattice_structure fcc -Nslip 12 # per family - -c11 106.75e9 -c12 60.41e9 -c44 28.34e9 - -gdot0_slip 0.001 -n_slip 20 -tau0_slip 31e6 # per family -tausat_slip 63e6 # per family -a_slip 2.25 -h0_slipslip 75e6 -interaction_slipslip 1 1 1.4 1.4 1.4 1.4 diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.config b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.config deleted file mode 100644 index c7fc670ac..000000000 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.config +++ /dev/null @@ -1,27 +0,0 @@ -# parameters fitted by D. Ma to: -# I. Kovács, G. Vörös -# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals -# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35–43 -# DOI: 10.1016/S0749-6419(95)00043-7 - -[gold_phenopowerlaw] -elasticity hooke -plasticity phenopowerlaw - -(output) resistance_slip - -lattice_structure fcc -Nslip 12 # per family - -c11 191.0e9 -c12 162.0e9 -c44 42.20e9 - -gdot0_slip 0.001 -n_slip 83.3 -tau0_slip 26.25e6 # per family -tausat_slip 53.00e6 # per family -a_slip 1.0 -h0_slipslip 75e6 -interaction_slipslip 1 1 1.4 1.4 1.4 1.4 - diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.config b/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.config deleted file mode 100644 index 4647a868f..000000000 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.config +++ /dev/null @@ -1,56 +0,0 @@ -#-------------------# - -#-------------------# -/echo/ -[Mg] -plasticity phenopowerlaw -elasticity hooke - -(output) resistance_slip -(output) resistance_twin - -lattice_structure hex -c/a 1.62350 # from Tromans 2011, Elastic Anisotropy of HCP Metal Crystals and Polycrystals -c11 59.3e9 # - " - -c33 61.5e9 # - " - -c44 16.4e9 # - " - -c12 25.7e9 # - " - -c13 21.4e9 # - " - - -# basal prism prism pyr(a) pyr(c+a) pyr(c+a) -Nslip 3 3 0 6 0 6 # from Agnew et al 2006, Validating a polycrystal model for the elastoplastic response of mg alloy AZ32 using in situ neutron diffraction -# T1 C1 T2 C2 -Ntwin 6 0 0 6 # - " - -# basal prism prism pyr(a) pyr(c+a) pyr(c+a) -tau0_slip 10.0e6 55.0e6 0 60.0e6 0.0 60.0e6 # - " - table 1, pyr(a) set to pyr(c+a) -tausat_slip 40.0e6 135.0e6 0 150.0e6 0.0 150.0e6 # - " - table 1, pyr(a) set to pyr(c+a) -# T1 C1 T2 C2 -tau0_twin 40e6 0.0 0.0 60.0e6 # - " - table 1, compressive twin guessed by Steffi, tensile twin modified to match experimental results - -h0_twintwin 50.0e6 # - " - table 1, same range as theta_0 -h0_slipslip 500.0e6 # - " - table 1, same range as theta_0 -h0_twinslip 150.0e6 # guessing - -interaction_slipslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 # just guessing -interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 # - " - -interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 # - " - -interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 # - " - - - - -#################################################### -# open for discussion -#################################################### -n_twin 20 -n_slip 20 - -gdot0_twin 0.001 -gdot0_slip 0.001 - -twin_b 0 -twin_c 0 -twin_d 20 -twin_e 20 - -a_slip 2.25 -s_pr 10.0 # push-up factor for slip saturation due to twinning diff --git a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.config b/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.config deleted file mode 100644 index b6c35c1cb..000000000 --- a/examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.config +++ /dev/null @@ -1,23 +0,0 @@ -[cpTi-alpha] -plasticity phenopowerlaw -elasticity hooke - -lattice_structure hex -covera_ratio 1.587 - -# M. Levy, Handbook of Elastic Properties of Solids, Liquids, and Gases (2001) -c11 160.0e9 -c12 90.0e9 -c13 66.0e9 -c33 181.7e9 -c44 46.5e9 -# C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012 -gdot0_slip 0.001 -n_slip 20 -nslip 3 3 0 0 12 -tau0_slip 349e6 150e6 0 0 1107e6 -tausat_slip 568e6 1502e6 0 0 3420e6 -a_slip 2 -h0_slipslip 200e6 - -interaction_slipslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 diff --git a/examples/ConfigFiles/Texture_Gauss_001.config b/examples/ConfigFiles/Texture_Gauss_001.config deleted file mode 100644 index 4fb519f08..000000000 --- a/examples/ConfigFiles/Texture_Gauss_001.config +++ /dev/null @@ -1,2 +0,0 @@ -[001] -(gauss) phi1 0.000 Phi 0.000 phi2 0.000 diff --git a/examples/ConfigFiles/Texture_Gauss_101.config b/examples/ConfigFiles/Texture_Gauss_101.config deleted file mode 100644 index c6c1b5dbe..000000000 --- a/examples/ConfigFiles/Texture_Gauss_101.config +++ /dev/null @@ -1,2 +0,0 @@ -[101] -(gauss) phi1 0.000 Phi 45.000 phi2 90.000 diff --git a/examples/ConfigFiles/Texture_Gauss_111.config b/examples/ConfigFiles/Texture_Gauss_111.config deleted file mode 100644 index 0d685a66e..000000000 --- a/examples/ConfigFiles/Texture_Gauss_111.config +++ /dev/null @@ -1,2 +0,0 @@ -[111] -(gauss) phi1 0.000 Phi 54.7356 phi2 45.000 diff --git a/examples/ConfigFiles/Texture_Gauss_123.config b/examples/ConfigFiles/Texture_Gauss_123.config deleted file mode 100644 index da4fa30ab..000000000 --- a/examples/ConfigFiles/Texture_Gauss_123.config +++ /dev/null @@ -1,2 +0,0 @@ -[123] -(gauss) phi1 209.805 Phi 29.206 phi2 63.435 diff --git a/examples/ConfigFiles/material.config b/examples/ConfigFiles/material.config deleted file mode 100644 index c863ca8a2..000000000 --- a/examples/ConfigFiles/material.config +++ /dev/null @@ -1,20 +0,0 @@ -# The material.config file needs to specify five parts: -# homogenization, microstructure, crystallite, phase, and texture. -# You can either put the full text in here or include suited separate files - - -{./Homogenization_Isostrain_SX.config} - - -[one_only] -crystallite 1 -(constituent) phase 1 texture 1 fraction 1.0 - - -{./Crystallite_All.config} - - -{./Phase_Phenopowerlaw_Aluminum.config} - - -{./Texture_Gauss_001.config} From 9fca65083cbb602fa4d44df107131e294c69d334 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 22 Feb 2021 19:18:41 +0100 Subject: [PATCH 16/19] fixed test --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index f22de7476..866ed0725 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit f22de7476efb703b91fe66310c75dce98772b21f +Subproject commit 866ed072549a3794f78339dedfb518a305c62d16 From d3726a08b15bce757f8207eb17490813b577c71f Mon Sep 17 00:00:00 2001 From: Test User Date: Tue, 23 Feb 2021 04:18:28 +0100 Subject: [PATCH 17/19] [skip ci] updated version information after successful test of v3.0.0-alpha2-500-gfdb182b40 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 24632bfa8..41ac4ffd3 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v3.0.0-alpha2-486-g23a3354ac +v3.0.0-alpha2-500-gfdb182b40 From 1b2081774ac04bbd0c3c8612f1d944f7bb465eaf Mon Sep 17 00:00:00 2001 From: Test User Date: Tue, 23 Feb 2021 08:16:56 +0100 Subject: [PATCH 18/19] [skip ci] updated version information after successful test of v3.0.0-alpha2-503-g8a1c73ebc --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 41ac4ffd3..04962f227 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v3.0.0-alpha2-500-gfdb182b40 +v3.0.0-alpha2-503-g8a1c73ebc From dfe7ded893dcbca244b431dc46b04524724c9a21 Mon Sep 17 00:00:00 2001 From: Test User Date: Tue, 23 Feb 2021 17:03:15 +0100 Subject: [PATCH 19/19] [skip ci] updated version information after successful test of v3.0.0-alpha2-520-g5ee538a38 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 04962f227..f00a64a89 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v3.0.0-alpha2-503-g8a1c73ebc +v3.0.0-alpha2-520-g5ee538a38