diff --git a/src/plastic_disloUCLA.f90 b/src/plastic_disloUCLA.f90 index 94e07fc84..e386a9808 100644 --- a/src/plastic_disloUCLA.f90 +++ b/src/plastic_disloUCLA.f90 @@ -93,7 +93,7 @@ module plastic_disloUCLA !-------------------------------------------------------------------------------------------------- ! containers for parameters and state type(tParameters), allocatable, dimension(:), private :: param - type(tDisloUCLAState ), allocatable, dimension(:), private :: & + type(tDisloUCLAState), allocatable, dimension(:), private :: & dotState, & state type(tDisloUCLAdependentState), allocatable, dimension(:), private :: dependentState @@ -164,7 +164,6 @@ subroutine plastic_disloUCLA_init() outputID character(len=pStringLen) :: & - structure = '',& extmsg = '' character(len=65536), dimension(:), allocatable :: & outputs @@ -197,8 +196,6 @@ subroutine plastic_disloUCLA_init() dst => dependentState(phase_plasticityInstance(p)), & config => config_phase(p)) - structure = config%getString('lattice_structure') - !-------------------------------------------------------------------------------------------------- ! optional parameters that need to be defined prm%mu = lattice_mu(p) @@ -213,36 +210,37 @@ subroutine plastic_disloUCLA_init() prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) prm%totalNslip = sum(prm%Nslip) slipActive: if (prm%totalNslip > 0_pInt) then - prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& - config%getFloat('c/a',defaultVal=0.0_pReal)) - if(structure=='bcc') then - prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& + prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),& + config%getFloat('c/a',defaultVal=0.0_pReal)) + + if(trim(config%getString('lattice_structure')) == 'bcc') then + prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& defaultVal = emptyRealArray) - prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) - prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) + prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) + prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) else - prm%nonSchmid_pos = prm%Schmid - prm%nonSchmid_neg = prm%Schmid + prm%nonSchmid_pos = prm%Schmid + prm%nonSchmid_neg = prm%Schmid endif prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & config%getFloats('interaction_slipslip'), & - structure(1:3)) - prm%rho0 = config%getFloats('rhoedge0', requiredShape=shape(prm%Nslip)) - prm%rhoDip0 = config%getFloats('rhoedgedip0', requiredShape=shape(prm%Nslip)) - prm%v0 = config%getFloats('v0', requiredShape=shape(prm%Nslip)) - prm%burgers = config%getFloats('slipburgers', requiredShape=shape(prm%Nslip)) - prm%H0kp = config%getFloats('qedge', requiredShape=shape(prm%Nslip)) + config%getString('lattice_structure')) + prm%rho0 = config%getFloats('rhoedge0', requiredSize=size(prm%Nslip)) + prm%rhoDip0 = config%getFloats('rhoedgedip0', requiredSize=size(prm%Nslip)) + prm%v0 = config%getFloats('v0', requiredSize=size(prm%Nslip)) + prm%burgers = config%getFloats('slipburgers', requiredSize=size(prm%Nslip)) + prm%H0kp = config%getFloats('qedge', requiredSize=size(prm%Nslip)) - prm%clambda = config%getFloats('clambdaslip', requiredShape=shape(prm%Nslip)) - prm%tau_Peierls = config%getFloats('tau_peierls', requiredShape=shape(prm%Nslip)) ! ToDo: Deprecated - prm%p = config%getFloats('p_slip', requiredShape=shape(prm%Nslip), & + prm%clambda = config%getFloats('clambdaslip', requiredSize=size(prm%Nslip)) + prm%tau_Peierls = config%getFloats('tau_peierls', requiredSize=size(prm%Nslip)) ! ToDo: Deprecated + prm%p = config%getFloats('p_slip', requiredSize=size(prm%Nslip), & defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) - prm%q = config%getFloats('q_slip', requiredShape=shape(prm%Nslip), & + prm%q = config%getFloats('q_slip', requiredSize=size(prm%Nslip), & defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) - prm%kink_height = config%getFloats('kink_height', requiredShape=shape(prm%Nslip)) - prm%w = config%getFloats('kink_width', requiredShape=shape(prm%Nslip)) - prm%omega = config%getFloats('omega', requiredShape=shape(prm%Nslip)) - prm%B = config%getFloats('friction_coeff', requiredShape=shape(prm%Nslip)) + prm%kink_height = config%getFloats('kink_height', requiredSize=size(prm%Nslip)) + prm%w = config%getFloats('kink_width', requiredSize=size(prm%Nslip)) + prm%omega = config%getFloats('omega', requiredSize=size(prm%Nslip)) + prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%Nslip)) prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! ToDo: Deprecated prm%grainSize = config%getFloat('grainsize') @@ -250,7 +248,7 @@ subroutine plastic_disloUCLA_init() prm%Qsd = config%getFloat('qsd') prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers**3.0_pReal prm%minDipDistance = config%getFloat('cedgedipmindistance') * prm%burgers - prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-key + prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key ! expand: family => system prm%rho0 = math_expand(prm%rho0, prm%Nslip) diff --git a/src/plastic_kinematichardening.f90 b/src/plastic_kinematichardening.f90 index d70fe68f7..be4261b03 100644 --- a/src/plastic_kinematichardening.f90 +++ b/src/plastic_kinematichardening.f90 @@ -151,7 +151,6 @@ subroutine plastic_kinehardening_init outputID character(len=pStringLen) :: & - structure = '',& extmsg = '' character(len=65536), dimension(:), allocatable :: & outputs @@ -187,8 +186,6 @@ subroutine plastic_kinehardening_init endif #endif - structure = config%getString('lattice_structure') - !-------------------------------------------------------------------------------------------------- ! optional parameters that need to be defined prm%aTolResistance = config%getFloat('atol_resistance',defaultVal=1.0_pReal) @@ -203,28 +200,29 @@ subroutine plastic_kinehardening_init prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) prm%totalNslip = sum(prm%Nslip) slipActive: if (prm%totalNslip > 0_pInt) then - prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& - config%getFloat('c/a',defaultVal=0.0_pReal)) - if(structure=='bcc') then - prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& - defaultVal = emptyRealArray) - prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) - prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) + prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),& + config%getFloat('c/a',defaultVal=0.0_pReal)) + + if(trim(config%getString('lattice_structure')) == 'bcc') then + prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& + defaultVal = emptyRealArray) + prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) + prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) else - prm%nonSchmid_pos = prm%Schmid - prm%nonSchmid_neg = prm%Schmid + prm%nonSchmid_pos = prm%Schmid + prm%nonSchmid_neg = prm%Schmid endif prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & config%getFloats('interaction_slipslip'), & - structure(1:3)) + config%getString('lattice_structure')) - prm%crss0 = config%getFloats('crss0', requiredShape=shape(prm%Nslip)) - prm%tau1 = config%getFloats('tau1', requiredShape=shape(prm%Nslip)) - prm%tau1_b = config%getFloats('tau1_b', requiredShape=shape(prm%Nslip)) - prm%theta0 = config%getFloats('theta0', requiredShape=shape(prm%Nslip)) - prm%theta1 = config%getFloats('theta1', requiredShape=shape(prm%Nslip)) - prm%theta0_b = config%getFloats('theta0_b', requiredShape=shape(prm%Nslip)) - prm%theta1_b = config%getFloats('theta1_b', requiredShape=shape(prm%Nslip)) + prm%crss0 = config%getFloats('crss0', requiredSize=size(prm%Nslip)) + prm%tau1 = config%getFloats('tau1', requiredSize=size(prm%Nslip)) + prm%tau1_b = config%getFloats('tau1_b', requiredSize=size(prm%Nslip)) + prm%theta0 = config%getFloats('theta0', requiredSize=size(prm%Nslip)) + prm%theta1 = config%getFloats('theta1', requiredSize=size(prm%Nslip)) + prm%theta0_b = config%getFloats('theta0_b', requiredSize=size(prm%Nslip)) + prm%theta1_b = config%getFloats('theta1_b', requiredSize=size(prm%Nslip)) prm%gdot0 = config%getFloat('gdot0') prm%n = config%getFloat('n_slip') diff --git a/src/plastic_phenopowerlaw.f90 b/src/plastic_phenopowerlaw.f90 index 0fe0f51e8..fd40f12da 100644 --- a/src/plastic_phenopowerlaw.f90 +++ b/src/plastic_phenopowerlaw.f90 @@ -153,7 +153,6 @@ subroutine plastic_phenopowerlaw_init outputID character(len=pStringLen) :: & - structure = '',& extmsg = '' character(len=65536), dimension(:), allocatable :: & outputs @@ -181,8 +180,6 @@ subroutine plastic_phenopowerlaw_init stt => state(phase_plasticityInstance(p)), & config => config_phase(p)) - structure = config%getString('lattice_structure') - !-------------------------------------------------------------------------------------------------- ! optional parameters that need to be defined prm%twinB = config%getFloat('twin_b',defaultVal=1.0_pReal) @@ -204,30 +201,31 @@ subroutine plastic_phenopowerlaw_init prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) prm%totalNslip = sum(prm%Nslip) slipActive: if (prm%totalNslip > 0_pInt) then - prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& - config%getFloat('c/a',defaultVal=0.0_pReal)) - if(structure=='bcc') then - prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& + prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),& + config%getFloat('c/a',defaultVal=0.0_pReal)) + + if(trim(config%getString('lattice_structure')) == 'bcc') then + prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& defaultVal = emptyRealArray) - prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) - prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) + prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) + prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) else - prm%nonSchmid_pos = prm%Schmid_slip - prm%nonSchmid_neg = prm%Schmid_slip + prm%nonSchmid_pos = prm%Schmid_slip + prm%nonSchmid_neg = prm%Schmid_slip endif prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & config%getFloats('interaction_slipslip'), & - structure(1:3)) + config%getString('lattice_structure')) - prm%xi_slip_0 = config%getFloats('tau0_slip', requiredSize=size(prm%Nslip)) - prm%xi_slip_sat = config%getFloats('tausat_slip', requiredSize=size(prm%Nslip)) - prm%H_int = config%getFloats('h_int', requiredSize=size(prm%Nslip), & - defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))]) + prm%xi_slip_0 = config%getFloats('tau0_slip', requiredSize=size(prm%Nslip)) + prm%xi_slip_sat = config%getFloats('tausat_slip', requiredSize=size(prm%Nslip)) + prm%H_int = config%getFloats('h_int', requiredSize=size(prm%Nslip), & + defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))]) - prm%gdot0_slip = config%getFloat('gdot0_slip') - prm%n_slip = config%getFloat('n_slip') - prm%a_slip = config%getFloat('a_slip') - prm%h0_SlipSlip = config%getFloat('h0_slipslip') + prm%gdot0_slip = config%getFloat('gdot0_slip') + prm%n_slip = config%getFloat('n_slip') + prm%a_slip = config%getFloat('a_slip') + prm%h0_SlipSlip = config%getFloat('h0_slipslip') ! expand: family => system prm%xi_slip_0 = math_expand(prm%xi_slip_0, prm%Nslip) @@ -250,12 +248,12 @@ subroutine plastic_phenopowerlaw_init prm%Ntwin = config%getInts('ntwin', defaultVal=emptyIntArray) prm%totalNtwin = sum(prm%Ntwin) twinActive: if (prm%totalNtwin > 0_pInt) then - prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),& + prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,& config%getFloats('interaction_twintwin'), & - structure(1:3)) - prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),& + config%getString('lattice_structure')) + prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,config%getString('lattice_structure'),& config%getFloat('c/a')) prm%xi_twin_0 = config%getFloats('tau0_twin',requiredSize=size(prm%Ntwin)) @@ -282,10 +280,10 @@ subroutine plastic_phenopowerlaw_init slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,& config%getFloats('interaction_sliptwin'), & - structure(1:3)) + config%getString('lattice_structure')) prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,& config%getFloats('interaction_twinslip'), & - structure(1:3)) + config%getString('lattice_structure')) else slipAndTwinActive allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension is 0 allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension is 0