From 7ec5a0bd6bd9015a2d2d50fb875e0ad6e5e70c1d Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 15 Mar 2020 09:39:35 +0100 Subject: [PATCH] make consistency check --- src/constitutive_plastic_dislotwin.f90 | 37 ++++++++++++++------------ 1 file changed, 20 insertions(+), 17 deletions(-) diff --git a/src/constitutive_plastic_dislotwin.f90 b/src/constitutive_plastic_dislotwin.f90 index 30f86b216..d172f7095 100644 --- a/src/constitutive_plastic_dislotwin.f90 +++ b/src/constitutive_plastic_dislotwin.f90 @@ -32,7 +32,7 @@ submodule(constitutive) plastic_dislotwin V_cs, & !< cross slip volume sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) sbVelocity, & !< value for shearband velocity_0 - sbQedge, & !< activation energy for shear bands + E_sb, & !< activation energy for shear bands SFE_0K, & !< stacking fault energy at zero K dSFE_dT, & !< temperature dependance of stacking fault energy aTol_rho, & !< absolute tolerance for integration of dislocation density @@ -144,7 +144,7 @@ module subroutine plastic_dislotwin_init character(len=pStringLen) :: & extmsg = '' - write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>'; flush(6) + write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_LABEL//' init -+>>>'; flush(6) write(6,'(/,a)') ' Ma and Roters, Acta Materialia 52(12):3603–3612, 2004' write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012' @@ -177,6 +177,8 @@ module subroutine plastic_dislotwin_init prm%aTol_f_tw = config%getFloat('atol_twinfrac', defaultVal=0.0_pReal) prm%aTol_f_tr = config%getFloat('atol_transfrac', defaultVal=0.0_pReal) + prm%output = config%getStrings('(output)', defaultVal=emptyStringArray) + ! This data is read in already in lattice prm%mu = lattice_mu(p) prm%nu = lattice_nu(p) @@ -226,12 +228,11 @@ module subroutine plastic_dislotwin_init endif ! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex) - !@details: Refer: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981 - prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) & - * merge(12.0_pReal, & - 8.0_pReal, & - lattice_structure(p) == lattice_FCC_ID .or. lattice_structure(p) == lattice_HEX_ID) - + ! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981 + prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) & + * merge(12.0_pReal, & + 8.0_pReal, & + any(lattice_structure(p) == [lattice_FCC_ID,lattice_HEX_ID])) ! expand: family => system prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl) @@ -375,13 +376,13 @@ module subroutine plastic_dislotwin_init prm%sbVelocity = config%getFloat('shearbandvelocity',defaultVal=0.0_pReal) if (prm%sbVelocity > 0.0_pReal) then prm%sbResistance = config%getFloat('shearbandresistance') - prm%sbQedge = config%getFloat('qedgepersbsystem') + prm%E_sb = config%getFloat('qedgepersbsystem') prm%p_sb = config%getFloat('p_shearband') prm%q_sb = config%getFloat('q_shearband') ! sanity checks if (prm%sbResistance < 0.0_pReal) extmsg = trim(extmsg)//' shearbandresistance' - if (prm%sbQedge < 0.0_pReal) extmsg = trim(extmsg)//' qedgepersbsystem' + if (prm%E_sb < 0.0_pReal) extmsg = trim(extmsg)//' qedgepersbsystem' if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_shearband' if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband' endif @@ -393,10 +394,10 @@ module subroutine plastic_dislotwin_init !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & - ! call IO_error(211,el=p,ext_msg='dot_N_0_tw ('//PLASTICITY_DISLOTWIN_label//')') + ! call IO_error(211,el=p,ext_msg='dot_N_0_tw ('//PLASTICITY_DISLOTWIN_LABEL//')') if (any(prm%atomicVolume <= 0.0_pReal)) & - call IO_error(211,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_LABEL//')') if (prm%sum_N_tw > 0) then if (prm%aTol_rho <= 0.0_pReal) & call IO_error(211,el=p,ext_msg='aTol_rho ('//PLASTICITY_DISLOTWIN_label//')') @@ -408,8 +409,6 @@ module subroutine plastic_dislotwin_init call IO_error(211,el=p,ext_msg='aTol_f_tr ('//PLASTICITY_DISLOTWIN_label//')') endif - prm%output = config%getStrings('(output)', defaultVal=emptyStringArray) - !-------------------------------------------------------------------------------------------------- ! allocate state arrays NipcMyPhase = count(material_phaseAt == p) * discretization_nIP @@ -421,7 +420,7 @@ module subroutine plastic_dislotwin_init call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0) !-------------------------------------------------------------------------------------------------- -! locally defined state aliases and initialization of state0 and aTolState +! locally defined state aliases and initialization of state0 and atolState startIndex = 1 endIndex = prm%sum_N_sl stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:) @@ -470,10 +469,14 @@ module subroutine plastic_dislotwin_init allocate(dst%V_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) - plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally + plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally end associate +!-------------------------------------------------------------------------------------------------- +! exit if any parameter is out of range + if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_DISLOTWIN_LABEL//')') + enddo end subroutine plastic_dislotwin_init @@ -587,7 +590,7 @@ module subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) shearBandingContribution: if(dNeq0(prm%sbVelocity)) then - BoltzmannRatio = prm%sbQedge/(kB*T) + BoltzmannRatio = prm%E_sb/(kB*T) call math_eigh33(Mp,eigValues,eigVectors) ! is Mp symmetric by design? do i = 1,6