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more name adjustments

This commit is contained in:
Martin Diehl 2019-03-19 06:10:23 +01:00
parent a12417a091
commit 98d25ae48a
1 changed files with 62 additions and 65 deletions
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127
src/plastic_disloUCLA.f90
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@ -26,7 +26,7 @@ module plastic_disloUCLA
rho_dip_ID, & rho_dip_ID, &
gamma_dot_sl_ID, & gamma_dot_sl_ID, &
gamma_sl_ID, & gamma_sl_ID, &
mfp_ID, & Lambda_sl_ID, &
thresholdstress_ID thresholdstress_ID
end enum end enum
@ -34,22 +34,20 @@ module plastic_disloUCLA
real(pReal) :: & real(pReal) :: &
aTolRho, & aTolRho, &
grainSize, & grainSize, &
SolidSolutionStrength, & !< Strength due to elements in solid solution
mu, & mu, &
D0, & !< prefactor for self-diffusion coefficient D0, & !< prefactor for self-diffusion coefficient
Qsd !< activation energy for dislocation climb Qsd !< activation energy for dislocation climb
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
rho_mob_0, & !< initial edge dislocation density rho_mob_0, & !< initial edge dislocation density
rhoDip0, & !< initial edge dipole density rhoDip0, & !< initial edge dipole density
burgers, & !< absolute length of burgers vector [m] burgers, & !< absolute length of burgers vector [m]
nonSchmidCoeff, & nonSchmidCoeff, &
minDipDistance, & minDipDistance, &
CLambda, & !< Adj. parameter for distance between 2 forest dislocations CLambda, & !< Adj. parameter for distance between 2 forest dislocations
atomicVolume, & atomicVolume, &
tau_Peierls, & tau_0, &
tau0, &
!* mobility law parameters !* mobility law parameters
H0kp, & !< activation energy for glide [J] delta_F, & !< activation energy for glide [J]
v0, & !< dislocation velocity prefactor [m/s] v0, & !< dislocation velocity prefactor [m/s]
p, & !< p-exponent in glide velocity p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity q, & !< q-exponent in glide velocity
@ -58,7 +56,7 @@ module plastic_disloUCLA
w, & !< width of the kink pair w, & !< width of the kink pair
omega !< attempt frequency for kink pair nucleation omega !< attempt frequency for kink pair nucleation
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
interaction_SlipSlip, & !< slip resistance from slip activity h_sl_sl, & !< slip resistance from slip activity
forestProjectionEdge forestProjectionEdge
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
Schmid, & Schmid, &
@ -67,7 +65,7 @@ module plastic_disloUCLA
integer :: & integer :: &
totalNslip !< total number of active slip system totalNslip !< total number of active slip system
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
Nslip !< number of active slip systems for each family N_sl !< number of active slip systems for each family
integer(kind(undefined_ID)), dimension(:),allocatable :: & integer(kind(undefined_ID)), dimension(:),allocatable :: &
outputID !< ID of each post result output outputID !< ID of each post result output
logical :: & logical :: &
@ -195,46 +193,45 @@ subroutine plastic_disloUCLA_init()
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters
prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) prm%N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip) prm%totalNslip = sum(prm%N_sl)
slipActive: if (prm%totalNslip > 0) then slipActive: if (prm%totalNslip > 0) then
prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),& prm%Schmid = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
if(trim(config%getString('lattice_structure')) == 'bcc') then if(trim(config%getString('lattice_structure')) == 'bcc') then
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray) defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1) prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%N_sl,prm%nonSchmidCoeff,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1) prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%N_sl,prm%nonSchmidCoeff,-1)
else else
prm%nonSchmid_pos = prm%Schmid prm%nonSchmid_pos = prm%Schmid
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif endif
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, & prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure')) config%getString('lattice_structure'))
prm%forestProjectionEdge = lattice_forestProjection(prm%Nslip,config%getString('lattice_structure'),& prm%forestProjectionEdge = lattice_forestProjection(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(prm%Nslip)) prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl))
prm%rhoDip0 = config%getFloats('rhoedgedip0', requiredSize=size(prm%Nslip)) prm%rhoDip0 = config%getFloats('rhoedgedip0', requiredSize=size(prm%N_sl))
prm%v0 = config%getFloats('v0', requiredSize=size(prm%Nslip)) prm%v0 = config%getFloats('v0', requiredSize=size(prm%N_sl))
prm%burgers = config%getFloats('slipburgers', requiredSize=size(prm%Nslip)) prm%burgers = config%getFloats('slipburgers', requiredSize=size(prm%N_sl))
prm%H0kp = config%getFloats('qedge', requiredSize=size(prm%Nslip)) prm%delta_F = config%getFloats('qedge', requiredSize=size(prm%N_sl))
prm%clambda = config%getFloats('clambdaslip', requiredSize=size(prm%Nslip)) prm%clambda = config%getFloats('clambdaslip', requiredSize=size(prm%N_sl))
prm%tau_Peierls = config%getFloats('tau_peierls', requiredSize=size(prm%Nslip)) ! ToDo: Deprecated prm%tau_0 = config%getFloats('tau_peierls', requiredSize=size(prm%N_sl))
prm%p = config%getFloats('p_slip', requiredSize=size(prm%Nslip), & prm%p = config%getFloats('p_slip', requiredSize=size(prm%N_sl), &
defaultVal=[(1.0_pReal,i=1,size(prm%Nslip))]) defaultVal=[(1.0_pReal,i=1,size(prm%N_sl))])
prm%q = config%getFloats('q_slip', requiredSize=size(prm%Nslip), & prm%q = config%getFloats('q_slip', requiredSize=size(prm%N_sl), &
defaultVal=[(1.0_pReal,i=1,size(prm%Nslip))]) defaultVal=[(1.0_pReal,i=1,size(prm%N_sl))])
prm%kink_height = config%getFloats('kink_height', requiredSize=size(prm%Nslip)) prm%kink_height = config%getFloats('kink_height', requiredSize=size(prm%N_sl))
prm%w = config%getFloats('kink_width', requiredSize=size(prm%Nslip)) prm%w = config%getFloats('kink_width', requiredSize=size(prm%N_sl))
prm%omega = config%getFloats('omega', requiredSize=size(prm%Nslip)) prm%omega = config%getFloats('omega', requiredSize=size(prm%N_sl))
prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%Nslip)) prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%N_sl))
prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! ToDo: Deprecated
prm%grainSize = config%getFloat('grainsize') prm%grainSize = config%getFloat('grainsize')
prm%D0 = config%getFloat('d0') prm%D0 = config%getFloat('d0')
prm%Qsd = config%getFloat('qsd') prm%Qsd = config%getFloat('qsd')
@ -243,23 +240,22 @@ subroutine plastic_disloUCLA_init()
prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key
! expand: family => system ! expand: family => system
prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%Nslip) prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl)
prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip) prm%rhoDip0 = math_expand(prm%rhoDip0, prm%N_sl)
prm%q = math_expand(prm%q, prm%Nslip) prm%q = math_expand(prm%q, prm%N_sl)
prm%p = math_expand(prm%p, prm%Nslip) prm%p = math_expand(prm%p, prm%N_sl)
prm%H0kp = math_expand(prm%H0kp, prm%Nslip) prm%delta_F = math_expand(prm%delta_F, prm%N_sl)
prm%burgers = math_expand(prm%burgers, prm%Nslip) prm%burgers = math_expand(prm%burgers, prm%N_sl)
prm%kink_height = math_expand(prm%kink_height, prm%Nslip) prm%kink_height = math_expand(prm%kink_height, prm%N_sl)
prm%w = math_expand(prm%w, prm%Nslip) prm%w = math_expand(prm%w, prm%N_sl)
prm%omega = math_expand(prm%omega, prm%Nslip) prm%omega = math_expand(prm%omega, prm%N_sl)
prm%tau_Peierls = math_expand(prm%tau_Peierls, prm%Nslip) prm%tau_0 = math_expand(prm%tau_0, prm%N_sl)
prm%v0 = math_expand(prm%v0, prm%Nslip) prm%v0 = math_expand(prm%v0, prm%N_sl)
prm%B = math_expand(prm%B, prm%Nslip) prm%B = math_expand(prm%B, prm%N_sl)
prm%clambda = math_expand(prm%clambda, prm%Nslip) prm%clambda = math_expand(prm%clambda, prm%N_sl)
prm%atomicVolume = math_expand(prm%atomicVolume, prm%Nslip) prm%atomicVolume = math_expand(prm%atomicVolume, prm%N_sl)
prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip) prm%minDipDistance = math_expand(prm%minDipDistance, prm%N_sl)
prm%tau0 = prm%tau_peierls + prm%SolidSolutionStrength
! sanity checks ! sanity checks
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' d0' if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' d0'
@ -268,8 +264,8 @@ subroutine plastic_disloUCLA_init()
if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0' if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0' if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
if (any(prm%burgers <= 0.0_pReal)) extmsg = trim(extmsg)//' slipburgers' if (any(prm%burgers <= 0.0_pReal)) extmsg = trim(extmsg)//' slipburgers'
if (any(prm%H0kp <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge' if (any(prm%delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge'
if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls' if (any(prm%tau_0 < 0.0_pReal)) extmsg = trim(extmsg)//' tau_0'
if (any(prm%minDipDistance <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or slipburgers' if (any(prm%minDipDistance <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or slipburgers'
if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipburgers' if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipburgers'
@ -300,7 +296,7 @@ subroutine plastic_disloUCLA_init()
case ('accumulated_shear','accumulatedshear','accumulated_shear_slip') case ('accumulated_shear','accumulatedshear','accumulated_shear_slip')
outputID = merge(gamma_sl_ID,undefined_ID,prm%totalNslip>0) outputID = merge(gamma_sl_ID,undefined_ID,prm%totalNslip>0)
case ('mfp','mfp_slip') case ('mfp','mfp_slip')
outputID = merge(mfp_ID,undefined_ID,prm%totalNslip>0) outputID = merge(Lambda_sl_ID,undefined_ID,prm%totalNslip>0)
case ('threshold_stress','threshold_stress_slip') case ('threshold_stress','threshold_stress_slip')
outputID = merge(thresholdstress_ID,undefined_ID,prm%totalNslip>0) outputID = merge(thresholdstress_ID,undefined_ID,prm%totalNslip>0)
@ -439,7 +435,7 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
call kinetics(Mp,Temperature,instance,of,& call kinetics(Mp,Temperature,instance,of,&
gdot_pos,gdot_neg, & gdot_pos,gdot_neg, &
tau_pos1 = tau_pos,tau_neg1 = tau_neg) tau_pos_out = tau_pos,tau_neg_out = tau_neg)
dot%gamma_sl(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs dot%gamma_sl(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs
VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature))
@ -491,7 +487,7 @@ subroutine plastic_disloUCLA_dependentState(instance,of)
prm%forestProjectionEdge(:,i))) prm%forestProjectionEdge(:,i)))
dst%threshold_stress(i,of) = prm%mu*prm%burgers(i) & dst%threshold_stress(i,of) = prm%mu*prm%burgers(i) &
* sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), & * sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), &
prm%interaction_SlipSlip(:,i))) prm%h_sl_sl(:,i)))
end forall end forall
dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dst%dislocationSpacing(:,of)/prm%Clambda) dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dst%dislocationSpacing(:,of)/prm%Clambda)
@ -545,7 +541,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
postResults(c+1:c+prm%totalNslip) = gdot_pos + gdot_neg postResults(c+1:c+prm%totalNslip) = gdot_pos + gdot_neg
case (gamma_sl_ID) case (gamma_sl_ID)
postResults(c+1:c+prm%totalNslip) = stt%gamma_sl(1:prm%totalNslip, of) postResults(c+1:c+prm%totalNslip) = stt%gamma_sl(1:prm%totalNslip, of)
case (mfp_ID) case (Lambda_sl_ID)
postResults(c+1:c+prm%totalNslip) = dst%mfp(1:prm%totalNslip, of) postResults(c+1:c+prm%totalNslip) = dst%mfp(1:prm%totalNslip, of)
case (thresholdstress_ID) case (thresholdstress_ID)
postResults(c+1:c+prm%totalNslip) = dst%threshold_stress(1:prm%totalNslip,of) postResults(c+1:c+prm%totalNslip) = dst%threshold_stress(1:prm%totalNslip,of)
@ -595,7 +591,7 @@ end subroutine plastic_disloUCLA_results
! have the optional arguments at the end ! have the optional arguments at the end
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics(Mp,Temperature,instance,of, & pure subroutine kinetics(Mp,Temperature,instance,of, &
gamma_pos,gamma_neg,dgamma_dtau_pos,dgamma_dtau_neg,tau_pos1,tau_neg1) gamma_pos,gamma_neg,dgamma_dtau_pos,dgamma_dtau_neg,tau_pos_out,tau_neg_out)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dEq, dNeq0 dEq, dNeq0
@ -618,8 +614,8 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: & real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: &
dgamma_dtau_pos, & dgamma_dtau_pos, &
dgamma_dtau_neg, & dgamma_dtau_neg, &
tau_pos1, & tau_pos_out, &
tau_neg1 tau_neg_out
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%totalNslip) :: &
StressRatio, & StressRatio, &
StressRatio_p,StressRatio_pminus1, & StressRatio_p,StressRatio_pminus1, &
@ -637,15 +633,15 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
enddo enddo
if (present(tau_pos1)) tau_pos1 = tau_pos if (present(tau_pos_out)) tau_pos_out = tau_pos
if (present(tau_neg1)) tau_neg1 = tau_neg if (present(tau_neg_out)) tau_neg_out = tau_neg
associate(BoltzmannRatio => prm%H0kp/(kB*Temperature), & associate(BoltzmannRatio => prm%delta_F/(kB*Temperature), &
DotGamma0 => stt%rho_mob(:,of)*prm%burgers*prm%v0, & DotGamma0 => stt%rho_mob(:,of)*prm%burgers*prm%v0, &
effectiveLength => dst%mfp(:,of) - prm%w) effectiveLength => dst%mfp(:,of) - prm%w)
significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check) significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau0 StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau_0
StressRatio_p = StressRatio** prm%p StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal) StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
@ -663,7 +659,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
if (present(dgamma_dtau_pos)) then if (present(dgamma_dtau_pos)) then
significantPositiveTau2: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check) significantPositiveTau2: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
dtn = t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) & dtn = t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
* (StressRatio)**(prm%p - 1.0_pReal) / prm%tau0 * (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_0
dtk = t_k / tau_pos dtk = t_k / tau_pos
dvel = prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal dvel = prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal
@ -675,7 +671,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
endif endif
significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check) significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau0 StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau_0
StressRatio_p = StressRatio** prm%p StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal) StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
@ -693,7 +689,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
if (present(dgamma_dtau_neg)) then if (present(dgamma_dtau_neg)) then
significantNegativeTau2: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check) significantNegativeTau2: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
dtn = t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) & dtn = t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
* (StressRatio)**(prm%p - 1.0_pReal) / prm%tau0 * (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_0
dtk = t_k / tau_pos dtk = t_k / tau_pos
dvel = prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal dvel = prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal
@ -703,6 +699,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
dgamma_dtau_neg = 0.0_pReal dgamma_dtau_neg = 0.0_pReal
end where significantNegativeTau2 end where significantNegativeTau2
end if end if
end associate end associate
end associate end associate