diff --git a/PRIVATE b/PRIVATE index 37b196668..14e754308 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 37b19666872a67acdc3c70c270335fd21f11986e +Subproject commit 14e754308e81545a231220f9d993fb4571729ced diff --git a/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml b/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml index 610421886..f5353b3b6 100644 --- a/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml +++ b/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml @@ -1,7 +1,7 @@ TWIP_Steel_FeMnC: lattice: cF mechanical: - elastic: {type: hooke, C_11: 175.0e9, C_12: 115.0e9, C_44: 135.0e9} + elastic: {type: Hooke, C_11: 175.0e9, C_12: 115.0e9, C_44: 135.0e9} plastic: type: dislotwin output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, tau_hat_tw, f_tr] diff --git a/examples/config/Phase_Dislotwin_Tungsten.yaml b/examples/config/Phase_Dislotwin_Tungsten.yaml index d49149017..397cfb662 100644 --- a/examples/config/Phase_Dislotwin_Tungsten.yaml +++ b/examples/config/Phase_Dislotwin_Tungsten.yaml @@ -1,7 +1,7 @@ Tungsten: lattice: cI mechanical: - elastic: {type: hooke, C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9} # Marinica et al. Journal of Physics: Condensed Matter(2013) + elastic: {type: Hooke, C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9} # Marinica et al. Journal of Physics: Condensed Matter(2013) plastic: type: dislotwin D: 2.0e-5 # Average grain size / m diff --git a/examples/config/Phase_Isotropic_AluminumIsotropic.yaml b/examples/config/Phase_Isotropic_AluminumIsotropic.yaml deleted file mode 100644 index 684b6dbb2..000000000 --- a/examples/config/Phase_Isotropic_AluminumIsotropic.yaml +++ /dev/null @@ -1,16 +0,0 @@ -# Kuo, J. C., Mikrostrukturmechanik von Bikristallen mit Kippkorngrenzen. Shaker-Verlag 2004. http://edoc.mpg.de/204079 -Aluminum: - lattice: aP - mechanical: - output: [F, P, F_e, F_p, L_p] - elastic: {type: hooke, C_11: 110.9e9, C_12: 58.34e9} - plastic: - type: isotropic - output: [xi] - xi_0: 31e6 - xi_inf: 63e6 - dot_gamma_0: 0.001 - n: 20 - M: 3 - h_0: 75e6 - a: 2.25 diff --git a/examples/config/Phase_Isotropic_FreeSurface.yaml b/examples/config/Phase_Isotropic_FreeSurface.yaml index 8d8d1354d..649baf992 100644 --- a/examples/config/Phase_Isotropic_FreeSurface.yaml +++ b/examples/config/Phase_Isotropic_FreeSurface.yaml @@ -1,8 +1,8 @@ FreeSurface: - lattice: aP + lattice: cI mechanical: output: [F, P, F_e, F_p, L_p] - elastic: {type: hooke, C_11: 1e8, C_12: 1e6} + elastic: {type: Hooke, C_11: 1e8, C_12: 1e6, C_44: 4.95e7} plastic: type: isotropic output: [xi] diff --git a/examples/config/Phase_Phenopowerlaw_Aluminum.yaml b/examples/config/Phase_Phenopowerlaw_Aluminum.yaml index 24da127fc..f05c18272 100644 --- a/examples/config/Phase_Phenopowerlaw_Aluminum.yaml +++ b/examples/config/Phase_Phenopowerlaw_Aluminum.yaml @@ -2,7 +2,7 @@ Aluminum: lattice: cF mechanical: output: [F, P, F_e, F_p, L_p, O] - elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} + elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke} plastic: N_sl: [12] a_sl: 2.25 diff --git a/examples/config/Phase_Phenopowerlaw_BCC-Ferrite.yaml b/examples/config/Phase_Phenopowerlaw_BCC-Ferrite.yaml index 03b7e2013..609414dad 100644 --- a/examples/config/Phase_Phenopowerlaw_BCC-Ferrite.yaml +++ b/examples/config/Phase_Phenopowerlaw_BCC-Ferrite.yaml @@ -4,7 +4,7 @@ Ferrite: lattice: cI mechanical: - elastic: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke} + elastic: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: Hooke} plastic: N_sl: [12, 12] a_sl: 2.0 diff --git a/examples/config/Phase_Phenopowerlaw_BCC-Martensite.yaml b/examples/config/Phase_Phenopowerlaw_BCC-Martensite.yaml index d2667f111..a14a9a182 100644 --- a/examples/config/Phase_Phenopowerlaw_BCC-Martensite.yaml +++ b/examples/config/Phase_Phenopowerlaw_BCC-Martensite.yaml @@ -4,7 +4,7 @@ Martensite: lattice: cI mechanical: - elastic: {C_11: 417.4e9, C_12: 242.4e9, C_44: 211.1e9, type: hooke} + elastic: {C_11: 417.4e9, C_12: 242.4e9, C_44: 211.1e9, type: Hooke} plastic: N_sl: [12, 12] a_sl: 2.0 diff --git a/examples/config/Phase_Phenopowerlaw_Magnesium.yaml b/examples/config/Phase_Phenopowerlaw_Magnesium.yaml index d42cca09f..050ad0790 100644 --- a/examples/config/Phase_Phenopowerlaw_Magnesium.yaml +++ b/examples/config/Phase_Phenopowerlaw_Magnesium.yaml @@ -4,7 +4,7 @@ Magnesium: c/a: 1.62350 mechanical: output: [F, P, F_e, F_p, L_p, O] - elastic: {C_11: 59.3e9, C_12: 25.7e9, C_13: 21.4e9, C_33: 61.5e9, C_44: 16.4e9, type: hooke} + elastic: {C_11: 59.3e9, C_12: 25.7e9, C_13: 21.4e9, C_33: 61.5e9, C_44: 16.4e9, type: Hooke} plastic: N_sl: [3, 3, 0, 6, 0, 6] N_tw: [6, 0, 0, 6] diff --git a/examples/config/Phase_Phenopowerlaw_cpTi.yaml b/examples/config/Phase_Phenopowerlaw_cpTi.yaml index 2a444d570..6300a74e1 100644 --- a/examples/config/Phase_Phenopowerlaw_cpTi.yaml +++ b/examples/config/Phase_Phenopowerlaw_cpTi.yaml @@ -6,7 +6,7 @@ cpTi: c/a: 1.587 mechanical: output: [F, P, F_e, F_p, L_p, O] - elastic: {C_11: 160.0e9, C_12: 90.0e9, C_13: 66.0e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke} + elastic: {C_11: 160.0e9, C_12: 90.0e9, C_13: 66.0e9, C_33: 181.7e9, C_44: 46.5e9, type: Hooke} plastic: N_sl: [3, 3, 0, 6, 12] a_sl: 2.0 diff --git a/examples/config/phase/thermal/Al.yaml b/examples/config/phase/thermal/Al.yaml index 87fadc143..1f714c743 100644 --- a/examples/config/phase/thermal/Al.yaml +++ b/examples/config/phase/thermal/Al.yaml @@ -1,5 +1,5 @@ references: - www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html - www.engineeringtoolbox.com/specific-heat-metals-d_152.html -c_p: 910.0 +C_p: 910.0 K_11: 236.0 diff --git a/examples/config/phase/thermal/Au.yaml b/examples/config/phase/thermal/Au.yaml index 68b6c2255..f8f4dda4d 100644 --- a/examples/config/phase/thermal/Au.yaml +++ b/examples/config/phase/thermal/Au.yaml @@ -1,4 +1,4 @@ references: - de.wikipedia.org/wiki/Gold -c_p: 128.0 +C_p: 128.0 K_11: 320.0 diff --git a/examples/config/phase/thermal/Cu.yaml b/examples/config/phase/thermal/Cu.yaml index a5bfdfae0..7f5b89fcc 100644 --- a/examples/config/phase/thermal/Cu.yaml +++ b/examples/config/phase/thermal/Cu.yaml @@ -1,4 +1,4 @@ references: - www.mit.edu/~6.777/matprops/copper.htm -c_p: 385.0 +C_p: 385.0 K_11: 401.0 diff --git a/examples/config/phase/thermal/Steel-0.5C.yaml b/examples/config/phase/thermal/Steel-0.5C.yaml index 89d9c8616..736969e1e 100644 --- a/examples/config/phase/thermal/Steel-0.5C.yaml +++ b/examples/config/phase/thermal/Steel-0.5C.yaml @@ -1,5 +1,5 @@ references: - www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html - www.engineeringtoolbox.com/specific-heat-metals-d_152.html -c_p: 490.0 +C_p: 490.0 K_11: 54.0 diff --git a/examples/config/phase/thermal/W.yaml b/examples/config/phase/thermal/W.yaml index 39e838075..eba6ab7bc 100644 --- a/examples/config/phase/thermal/W.yaml +++ b/examples/config/phase/thermal/W.yaml @@ -1,4 +1,4 @@ references: - www.mit.edu/~6.777/matprops/tungsten.htm -c_p: 132.51 +C_p: 132.51 K_11: 178.0 diff --git a/examples/config/phase/thermal/adiabatic.yaml b/examples/config/phase/thermal/adiabatic.yaml index c0956cb0d..e4e2b1626 100644 --- a/examples/config/phase/thermal/adiabatic.yaml +++ b/examples/config/phase/thermal/adiabatic.yaml @@ -1,4 +1,4 @@ -c_p: 1 +C_p: 1 K_11: 0 K_22: 0 K_33: 0 diff --git a/examples/config/phase/thermal/fast-convection.yaml b/examples/config/phase/thermal/fast-convection.yaml index c266acf1e..5d6cfae52 100644 --- a/examples/config/phase/thermal/fast-convection.yaml +++ b/examples/config/phase/thermal/fast-convection.yaml @@ -1,4 +1,4 @@ -c_p: 1 +C_p: 1 K_11: 1e30 K_22: 1e30 K_33: 1e30 diff --git a/python/tests/reference/ConfigMaterial/material.yaml b/python/tests/reference/ConfigMaterial/material.yaml index 48ebd98e3..6fdbbb52a 100644 --- a/python/tests/reference/ConfigMaterial/material.yaml +++ b/python/tests/reference/ConfigMaterial/material.yaml @@ -36,9 +36,9 @@ phase: lattice: cF mechanics: output: [F, P, F_e, F_p, L_p] - elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} + elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke} Steel: lattice: cI mechanics: output: [F, P, F_e, F_p, L_p] - elasticity: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke} + elasticity: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: Hooke} diff --git a/python/tests/reference/Result/12grains6x7x8.material.yaml b/python/tests/reference/Result/12grains6x7x8.material.yaml index 8d3f53cfb..741f6457e 100644 --- a/python/tests/reference/Result/12grains6x7x8.material.yaml +++ b/python/tests/reference/Result/12grains6x7x8.material.yaml @@ -9,7 +9,7 @@ phase: lattice: cF mechanical: output: [F, P, F_e, F_p, L_p, O] - elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} + elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke} plastic: N_sl: [12] a_sl: 2.25 @@ -26,7 +26,7 @@ phase: lattice: cI mechanical: output: [F, P, F_e, F_p, L_p, O] - elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} + elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke} plastic: N_sl: [12] a_sl: 2.25 diff --git a/python/tests/reference/Result/4grains2x4x3.material.yaml b/python/tests/reference/Result/4grains2x4x3.material.yaml index ff2c90164..6b7c83809 100644 --- a/python/tests/reference/Result/4grains2x4x3.material.yaml +++ b/python/tests/reference/Result/4grains2x4x3.material.yaml @@ -641,7 +641,7 @@ phase: lattice: cF mechanical: output: [F, F_e, F_p, L_p] - elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} + elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke} plastic: N_sl: [12] a_sl: 2.25 @@ -658,7 +658,7 @@ phase: lattice: cI mechanical: output: [F, P, F_e, F_p, L_p, O] - elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} + elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke} plastic: N_sl: [12] a_sl: 2.25 @@ -675,4 +675,4 @@ phase: lattice: cI mechanical: output: [F] - elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} + elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke} diff --git a/python/tests/reference/Result/6grains6x7x8_single_phase.material.yaml b/python/tests/reference/Result/6grains6x7x8_single_phase.material.yaml index a06d679db..1894d4b2b 100644 --- a/python/tests/reference/Result/6grains6x7x8_single_phase.material.yaml +++ b/python/tests/reference/Result/6grains6x7x8_single_phase.material.yaml @@ -9,7 +9,7 @@ phase: lattice: cF mechanical: output: [F, P, F_e, F_p, L_p, O] - elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} + elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke} plastic: N_sl: [12] a_sl: 2.25 diff --git a/src/lattice.f90 b/src/lattice.f90 index 055f2d2f1..974baff85 100644 --- a/src/lattice.f90 +++ b/src/lattice.f90 @@ -296,7 +296,6 @@ module lattice integer, parameter :: & BCT_NSLIP = sum(BCT_NSLIPSYSTEM) !< total # of slip systems for bct - real(pReal), dimension(3+3,BCT_NSLIP), parameter :: & BCT_SYSTEMSLIP = reshape(real([& ! {100)<001] systems @@ -366,30 +365,13 @@ module lattice 1, 1, 1, 1,-2, 1 & ],pReal),shape(BCT_SYSTEMSLIP)) !< bct slip systems for c/a = 0.5456 (Sn), sorted by Bieler 2009 (https://doi.org/10.1007/s11664-009-0909-x) -!-------------------------------------------------------------------------------------------------- -! orthorhombic primitive (oP) - integer, dimension(*), parameter :: & - ORT_NCLEAVAGESYSTEM = [1, 1, 1] !< # of cleavage systems per family for orthorhombic primitive - - integer, parameter :: & - ORT_NCLEAVAGE = sum(ORT_NCLEAVAGESYSTEM) !< total # of cleavage systems for orthorhombic primitive - - real(pReal), dimension(3+3,ORT_NCLEAVAGE), parameter :: & - ORT_SYSTEMCLEAVAGE = reshape(real([& - 0, 1, 0, 1, 0, 0, & - 0, 0, 1, 0, 1, 0, & - 1, 0, 0, 0, 0, 1 & - ],pReal),shape(ORT_SYSTEMCLEAVAGE)) !< orthorhombic primitive cleavage systems - enum, bind(c); enumerator :: & lattice_UNDEFINED_ID, & - lattice_ISO_ID, & lattice_FCC_ID, & lattice_BCC_ID, & - lattice_BCT_ID, & lattice_HEX_ID, & - lattice_ORT_ID + lattice_BCT_ID end enum ! SHOULD NOT BE PART OF LATTICE BEGIN @@ -414,12 +396,10 @@ module lattice public :: & lattice_init, & - lattice_ISO_ID, & lattice_FCC_ID, & lattice_BCC_ID, & - lattice_BCT_ID, & lattice_HEX_ID, & - lattice_ORT_ID, & + lattice_BCT_ID, & lattice_equivalent_nu, & lattice_equivalent_mu, & lattice_applyLatticeSymmetry33, & @@ -479,12 +459,12 @@ subroutine lattice_init elasticity => mech%get('elastic') lattice_C66(1,1,ph) = elasticity%get_asFloat('C_11') lattice_C66(1,2,ph) = elasticity%get_asFloat('C_12') + lattice_C66(4,4,ph) = elasticity%get_asFloat('C_44') lattice_C66(1,3,ph) = elasticity%get_asFloat('C_13',defaultVal=0.0_pReal) lattice_C66(2,2,ph) = elasticity%get_asFloat('C_22',defaultVal=0.0_pReal) lattice_C66(2,3,ph) = elasticity%get_asFloat('C_23',defaultVal=0.0_pReal) lattice_C66(3,3,ph) = elasticity%get_asFloat('C_33',defaultVal=0.0_pReal) - lattice_C66(4,4,ph) = elasticity%get_asFloat('C_44',defaultVal=0.0_pReal) lattice_C66(5,5,ph) = elasticity%get_asFloat('C_55',defaultVal=0.0_pReal) lattice_C66(6,6,ph) = elasticity%get_asFloat('C_66',defaultVal=0.0_pReal) @@ -497,10 +477,6 @@ subroutine lattice_init lattice_structure(ph) = lattice_HEX_ID case('tI') lattice_structure(ph) = lattice_BCT_ID - case('oP') - lattice_structure(ph) = lattice_ORT_ID - case('aP') - lattice_structure(ph) = lattice_ISO_ID case default call IO_error(130,ext_msg='lattice_init: '//phase%get_asString('lattice')) end select @@ -1565,9 +1541,6 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(Schmid integer :: i select case(structure) - case('oP') - NcleavageMax = ORT_NCLEAVAGESYSTEM - cleavageSystems = ORT_SYSTEMCLEAVAGE case('cF') NcleavageMax = FCC_NCLEAVAGESYSTEM cleavageSystems = FCC_SYSTEMCLEAVAGE @@ -1705,15 +1678,15 @@ function lattice_applyLatticeSymmetry33(T,structure) result(T_sym) T_sym = 0.0_pReal select case(structure) - case('aP','cF','cI') + case('cF','cI') do k=1,3 T_sym(k,k) = T(1,1) enddo - case('hP') + case('hP') ! MD TODO: I think that 'tI' has the same symmetry as 'hP' for 2nd order tensors T_sym(1,1) = T(1,1) T_sym(2,2) = T(1,1) T_sym(3,3) = T(3,3) - case('oP','tI') + case('tI') T_sym(1,1) = T(1,1) T_sym(2,2) = T(2,2) T_sym(3,3) = T(3,3) @@ -1740,21 +1713,13 @@ function applyLatticeSymmetryC66(C66,structure) result(C66_sym) C66_sym = 0.0_pReal select case(structure) - case ('aP') - do k=1,3 - do j=1,3 - C66_sym(k,j) = C66(1,2) - enddo - C66_sym(k,k) = C66(1,1) - C66_sym(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2)) - enddo case ('cF','cI') do k=1,3 do j=1,3 C66_sym(k,j) = C66(1,2) enddo C66_sym(k,k) = C66(1,1) - C66_sym(k+3,k+3) = C66(4,4) + C66_sym(k+3,k+3) = C66(4,4) ! isotropic C_44 = .5*(C_11-C_12) enddo case ('hP') C66_sym(1,1) = C66(1,1) @@ -1769,19 +1734,6 @@ function applyLatticeSymmetryC66(C66,structure) result(C66_sym) C66_sym(4,4) = C66(4,4) C66_sym(5,5) = C66(4,4) C66_sym(6,6) = 0.5_pReal*(C66(1,1)-C66(1,2)) - case ('oP') - C66_sym(1,1) = C66(1,1) - C66_sym(2,2) = C66(2,2) - C66_sym(3,3) = C66(3,3) - C66_sym(1,2) = C66(1,2) - C66_sym(2,1) = C66(1,2) - C66_sym(1,3) = C66(1,3) - C66_sym(3,1) = C66(1,3) - C66_sym(2,3) = C66(2,3) - C66_sym(3,2) = C66(2,3) - C66_sym(4,4) = C66(4,4) - C66_sym(5,5) = C66(5,5) - C66_sym(6,6) = C66(6,6) case ('tI') C66_sym(1,1) = C66(1,1) C66_sym(2,2) = C66(1,1) @@ -2012,7 +1964,7 @@ function buildCoordinateSystem(active,potential,system,structure,cOverA) select case(structure) - case ('cF','cI','aP','oP','tI') + case ('cF','cI','tI') direction = system(1:3,p) normal = system(4:6,p) @@ -2247,7 +2199,6 @@ function lattice_equivalent_nu(C,assumption) result(nu) / (S(1,1)+S(2,2)+S(3,3) +2.0_pReal*(S(1,2)+S(2,3)+S(1,3))) else error stop 'invalid assumption' - K = 0.0_pReal endif mu = lattice_equivalent_mu(C,assumption) @@ -2280,7 +2231,6 @@ function lattice_equivalent_mu(C,assumption) result(mu) / (4.0_pReal*(S(1,1)+S(2,2)+S(3,3)) -4.0_pReal*(S(1,2)+S(2,3)+S(1,3)) +3.0_pReal*(S(4,4)+S(5,5)+S(6,6))) else error stop 'invalid assumption' - mu = 0.0_pReal endif end function lattice_equivalent_mu @@ -2298,6 +2248,7 @@ subroutine selfTest real(pReal), dimension(2) :: r real(pReal) :: lambda + call random_number(r) system = reshape([1.0_pReal+r(1),0.0_pReal,0.0_pReal, 0.0_pReal,1.0_pReal+r(2),0.0_pReal],[6,1]) @@ -2305,10 +2256,11 @@ subroutine selfTest if(any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem' call random_number(C) - C(1,1) = C(1,1) + 1.0_pReal - C = applyLatticeSymmetryC66(C,'aP') - if(dNeq(C(6,6),lattice_equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/voigt' - if(dNeq(C(6,6),lattice_equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/reuss' + C(1,1) = C(1,1) + C(1,2) + 0.1_pReal + C(4,4) = 0.5_pReal * (C(1,1) - C(1,2)) + C = applyLatticeSymmetryC66(C,'cI') + if(dNeq(C(4,4),lattice_equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/voigt' + if(dNeq(C(4,4),lattice_equivalent_mu(C,'reuss'),1.0e-12_pReal)) error stop 'equivalent_mu/reuss' lambda = C(1,2) if(dNeq(lambda*0.5_pReal/(lambda+lattice_equivalent_mu(C,'voigt')), & diff --git a/src/phase_mechanical.f90 b/src/phase_mechanical.f90 index be0bca892..1897d8d5c 100644 --- a/src/phase_mechanical.f90 +++ b/src/phase_mechanical.f90 @@ -947,18 +947,14 @@ subroutine crystallite_results(group,ph) 'second Piola-Kirchhoff stress','Pa') case('O') select case(lattice_structure(ph)) - case(lattice_ISO_ID) - structureLabel = 'aP' case(lattice_FCC_ID) structureLabel = 'cF' case(lattice_BCC_ID) structureLabel = 'cI' - case(lattice_BCT_ID) - structureLabel = 'tI' case(lattice_HEX_ID) structureLabel = 'hP' - case(lattice_ORT_ID) - structureLabel = 'oP' + case(lattice_BCT_ID) + structureLabel = 'tI' end select selected_rotations = select_rotations(crystallite_orientation,ph) call results_writeDataset(group//'/mechanical',selected_rotations,output_constituent(ph)%label(ou),&