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more renames to follow dislotwin and/or paper

This commit is contained in:
Martin Diehl 2019-03-20 09:37:29 +01:00
parent 98d25ae48a
commit 349acce9f2
1 changed files with 63 additions and 63 deletions
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126
src/plastic_disloUCLA.f90
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@ -33,14 +33,14 @@ module plastic_disloUCLA
type, private :: tParameters
real(pReal) :: &
aTolRho, &
grainSize, &
D, & !< grain size
mu, &
D0, & !< prefactor for self-diffusion coefficient
Qsd !< activation energy for dislocation climb
real(pReal), dimension(:), allocatable :: &
rho_mob_0, & !< initial edge dislocation density
rhoDip0, & !< initial edge dipole density
burgers, & !< absolute length of burgers vector [m]
rho_mob_0, & !< initial dislocation density
rho_dip_0, & !< initial dipole density
b_sl, & !< magnitude of burgers vector [m]
nonSchmidCoeff, &
minDipDistance, &
CLambda, & !< Adj. parameter for distance between 2 forest dislocations
@ -63,7 +63,7 @@ module plastic_disloUCLA
nonSchmid_pos, &
nonSchmid_neg
integer :: &
totalNslip !< total number of active slip system
sum_N_sl !< total number of active slip system
integer, dimension(:), allocatable :: &
N_sl !< number of active slip systems for each family
integer(kind(undefined_ID)), dimension(:),allocatable :: &
@ -194,8 +194,8 @@ subroutine plastic_disloUCLA_init()
!--------------------------------------------------------------------------------------------------
! slip related parameters
prm%N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%N_sl)
slipActive: if (prm%totalNslip > 0) then
prm%sum_N_sl = sum(prm%N_sl)
slipActive: if (prm%sum_N_sl > 0) then
prm%Schmid = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
@ -216,9 +216,9 @@ subroutine plastic_disloUCLA_init()
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl))
prm%rhoDip0 = config%getFloats('rhoedgedip0', requiredSize=size(prm%N_sl))
prm%rho_dip_0 = config%getFloats('rhoedgedip0', requiredSize=size(prm%N_sl))
prm%v0 = config%getFloats('v0', requiredSize=size(prm%N_sl))
prm%burgers = config%getFloats('slipburgers', requiredSize=size(prm%N_sl))
prm%b_sl = config%getFloats('slipburgers', requiredSize=size(prm%N_sl))
prm%delta_F = config%getFloats('qedge', requiredSize=size(prm%N_sl))
prm%clambda = config%getFloats('clambdaslip', requiredSize=size(prm%N_sl))
@ -232,20 +232,20 @@ subroutine plastic_disloUCLA_init()
prm%omega = config%getFloats('omega', requiredSize=size(prm%N_sl))
prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%N_sl))
prm%grainSize = config%getFloat('grainsize')
prm%D = config%getFloat('grainsize')
prm%D0 = config%getFloat('d0')
prm%Qsd = config%getFloat('qsd')
prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers**3.0_pReal
prm%minDipDistance = config%getFloat('cedgedipmindistance') * prm%burgers
prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal
prm%minDipDistance = config%getFloat('cedgedipmindistance') * prm%b_sl
prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key
! expand: family => system
prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl)
prm%rhoDip0 = math_expand(prm%rhoDip0, prm%N_sl)
prm%rho_dip_0 = math_expand(prm%rho_dip_0, prm%N_sl)
prm%q = math_expand(prm%q, prm%N_sl)
prm%p = math_expand(prm%p, prm%N_sl)
prm%delta_F = math_expand(prm%delta_F, prm%N_sl)
prm%burgers = math_expand(prm%burgers, prm%N_sl)
prm%b_sl = math_expand(prm%b_sl, prm%N_sl)
prm%kink_height = math_expand(prm%kink_height, prm%N_sl)
prm%w = math_expand(prm%w, prm%N_sl)
prm%omega = math_expand(prm%omega, prm%N_sl)
@ -261,17 +261,17 @@ subroutine plastic_disloUCLA_init()
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' d0'
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' qsd'
if (any(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0'
if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
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%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' slipb_sl'
if (any(prm%delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge'
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%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipburgers'
if (any(prm%minDipDistance <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or slipb_sl'
if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipb_sl'
else slipActive
allocate(prm%rho_mob_0(0))
allocate(prm%rhoDip0(0))
allocate(prm%rho_dip_0(0))
endif slipActive
!--------------------------------------------------------------------------------------------------
@ -288,23 +288,23 @@ subroutine plastic_disloUCLA_init()
select case(trim(outputs(i)))
case ('edge_density')
outputID = merge(rho_mob_ID,undefined_ID,prm%totalNslip>0)
outputID = merge(rho_mob_ID,undefined_ID,prm%sum_N_sl>0)
case ('dipole_density')
outputID = merge(rho_dip_ID,undefined_ID,prm%totalNslip>0)
outputID = merge(rho_dip_ID,undefined_ID,prm%sum_N_sl>0)
case ('shear_rate','shearrate','shear_rate_slip','shearrate_slip')
outputID = merge(gamma_dot_sl_ID,undefined_ID,prm%totalNslip>0)
outputID = merge(gamma_dot_sl_ID,undefined_ID,prm%sum_N_sl>0)
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%sum_N_sl>0)
case ('mfp','mfp_slip')
outputID = merge(Lambda_sl_ID,undefined_ID,prm%totalNslip>0)
outputID = merge(Lambda_sl_ID,undefined_ID,prm%sum_N_sl>0)
case ('threshold_stress','threshold_stress_slip')
outputID = merge(thresholdstress_ID,undefined_ID,prm%totalNslip>0)
outputID = merge(thresholdstress_ID,undefined_ID,prm%sum_N_sl>0)
end select
if (outputID /= undefined_ID) then
plastic_disloUCLA_output(i,phase_plasticityInstance(p)) = outputs(i)
plastic_disloUCLA_sizePostResult(i,phase_plasticityInstance(p)) = prm%totalNslip
plastic_disloUCLA_sizePostResult(i,phase_plasticityInstance(p)) = prm%sum_N_sl
prm%outputID = [prm%outputID, outputID]
endif
@ -313,31 +313,31 @@ subroutine plastic_disloUCLA_init()
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NipcMyPhase = count(material_phase == p)
sizeDotState = size(['rhoEdge ','rhoEdgeDip ','accshearslip']) * prm%totalNslip
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl
sizeState = sizeDotState
call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0, &
prm%totalNslip,0,0)
prm%sum_N_sl,0,0)
plasticState(p)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p)))
!--------------------------------------------------------------------------------------------------
! locally defined state aliases and initialization of state0 and aTolState
startIndex = 1
endIndex = prm%totalNslip
endIndex = prm%sum_N_sl
stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_mob= spread(prm%rho_mob_0,2,NipcMyPhase)
dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
startIndex = endIndex + 1
endIndex = endIndex + prm%totalNslip
endIndex = endIndex + prm%sum_N_sl
stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_dip= spread(prm%rhoDip0,2,NipcMyPhase)
stt%rho_dip= spread(prm%rho_dip_0,2,NipcMyPhase)
dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
startIndex = endIndex + 1
endIndex = endIndex + prm%totalNslip
endIndex = endIndex + prm%sum_N_sl
stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:)
dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal !ToDo: better make optional parameter
@ -345,9 +345,9 @@ subroutine plastic_disloUCLA_init()
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:)
allocate(dst%mfp(prm%totalNslip,NipcMyPhase), source=0.0_pReal)
allocate(dst%dislocationSpacing(prm%totalNslip,NipcMyPhase),source=0.0_pReal)
allocate(dst%threshold_stress(prm%totalNslip,NipcMyPhase), source=0.0_pReal)
allocate(dst%mfp(prm%sum_N_sl,NipcMyPhase), source=0.0_pReal)
allocate(dst%dislocationSpacing(prm%sum_N_sl,NipcMyPhase),source=0.0_pReal)
allocate(dst%threshold_stress(prm%sum_N_sl,NipcMyPhase), source=0.0_pReal)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
@ -379,7 +379,7 @@ pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,inst
integer :: &
i,k,l,m,n
real(pReal), dimension(param(instance)%totalNslip) :: &
real(pReal), dimension(param(instance)%sum_N_sl) :: &
gdot_pos,gdot_neg, &
dgdot_dtau_pos,dgdot_dtau_neg
@ -389,7 +389,7 @@ pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,inst
associate(prm => param(instance))
call kinetics(Mp,Temperature,instance,of,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
do i = 1, prm%totalNslip
do i = 1, prm%sum_N_sl
Lp = Lp + (gdot_pos(i)+gdot_neg(i))*prm%Schmid(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
@ -424,7 +424,7 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
real(pReal) :: &
VacancyDiffusion
real(pReal), dimension(param(instance)%totalNslip) :: &
real(pReal), dimension(param(instance)%sum_N_sl) :: &
gdot_pos, gdot_neg,&
tau_pos,&
tau_neg, &
@ -444,10 +444,10 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
DotRhoDipFormation = 0.0_pReal
DotRhoEdgeDipClimb = 0.0_pReal
else where
EdgeDipDistance = math_clip((3.0_pReal*prm%mu*prm%burgers)/(16.0_pReal*PI*abs(tau_pos)), &
EdgeDipDistance = math_clip((3.0_pReal*prm%mu*prm%b_sl)/(16.0_pReal*PI*abs(tau_pos)), &
prm%minDipDistance, & ! lower limit
dst%mfp(:,of)) ! upper limit
DotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%burgers)* stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)), & ! ToDo: ignore region of spontaneous annihilation
DotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%b_sl)* stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)), & ! ToDo: ignore region of spontaneous annihilation
0.0_pReal, &
prm%dipoleformation)
ClimbVelocity = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*Temperature)) &
@ -455,11 +455,11 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
DotRhoEdgeDipClimb = (4.0_pReal*ClimbVelocity*stt%rho_dip(:,of))/(EdgeDipDistance-prm%minDipDistance) ! ToDo: Discuss with Franz: Stress dependency?
end where
dot%rho_mob(:,of) = abs(dot%gamma_sl(:,of))/(prm%burgers*dst%mfp(:,of)) & ! multiplication
dot%rho_mob(:,of) = abs(dot%gamma_sl(:,of))/(prm%b_sl*dst%mfp(:,of)) & ! multiplication
- DotRhoDipFormation &
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)) !* Spontaneous annihilation of 2 single edge dislocations
- (2.0_pReal*prm%minDipDistance)/prm%b_sl*stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)) !* Spontaneous annihilation of 2 single edge dislocations
dot%rho_dip(:,of) = DotRhoDipFormation &
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rho_dip(:,of)*abs(dot%gamma_sl(:,of)) & !* Spontaneous annihilation of a single edge dislocation with a dipole constituent
- (2.0_pReal*prm%minDipDistance)/prm%b_sl*stt%rho_dip(:,of)*abs(dot%gamma_sl(:,of)) & !* Spontaneous annihilation of a single edge dislocation with a dipole constituent
- DotRhoEdgeDipClimb
end associate
@ -482,15 +482,15 @@ subroutine plastic_disloUCLA_dependentState(instance,of)
associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
forall (i = 1:prm%totalNslip)
forall (i = 1:prm%sum_N_sl)
dst%dislocationSpacing(i,of) = sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), &
prm%forestProjectionEdge(:,i)))
dst%threshold_stress(i,of) = prm%mu*prm%burgers(i) &
dst%threshold_stress(i,of) = prm%mu*prm%b_sl(i) &
* sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), &
prm%h_sl_sl(:,i)))
end forall
dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dst%dislocationSpacing(:,of)/prm%Clambda)
dst%mfp(:,of) = prm%D/(1.0_pReal+prm%D*dst%dislocationSpacing(:,of)/prm%Clambda)
dst%dislocationSpacing(:,of) = dst%mfp(:,of) ! ToDo: Hack to recover wrong behavior for the moment
end associate
@ -522,7 +522,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
integer :: &
o,c,i
real(pReal), dimension(param(instance)%totalNslip) :: &
real(pReal), dimension(param(instance)%sum_N_sl) :: &
gdot_pos,gdot_neg
c = 0
@ -533,22 +533,22 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
select case(prm%outputID(o))
case (rho_mob_ID)
postResults(c+1:c+prm%totalNslip) = stt%rho_mob(1:prm%totalNslip,of)
postResults(c+1:c+prm%sum_N_sl) = stt%rho_mob(1:prm%sum_N_sl,of)
case (rho_dip_ID)
postResults(c+1:c+prm%totalNslip) = stt%rho_dip(1:prm%totalNslip,of)
postResults(c+1:c+prm%sum_N_sl) = stt%rho_dip(1:prm%sum_N_sl,of)
case (gamma_dot_sl_ID)
call kinetics(Mp,Temperature,instance,of,gdot_pos,gdot_neg)
postResults(c+1:c+prm%totalNslip) = gdot_pos + gdot_neg
postResults(c+1:c+prm%sum_N_sl) = gdot_pos + gdot_neg
case (gamma_sl_ID)
postResults(c+1:c+prm%totalNslip) = stt%gamma_sl(1:prm%totalNslip, of)
postResults(c+1:c+prm%sum_N_sl) = stt%gamma_sl(1:prm%sum_N_sl, of)
case (Lambda_sl_ID)
postResults(c+1:c+prm%totalNslip) = dst%mfp(1:prm%totalNslip, of)
postResults(c+1:c+prm%sum_N_sl) = dst%mfp(1:prm%sum_N_sl, of)
case (thresholdstress_ID)
postResults(c+1:c+prm%totalNslip) = dst%threshold_stress(1:prm%totalNslip,of)
postResults(c+1:c+prm%sum_N_sl) = dst%threshold_stress(1:prm%sum_N_sl,of)
end select
c = c + prm%totalNslip
c = c + prm%sum_N_sl
enddo outputsLoop
@ -608,15 +608,15 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
instance, &
of
real(pReal), intent(out), dimension(param(instance)%totalNslip) :: &
real(pReal), intent(out), dimension(param(instance)%sum_N_sl) :: &
gamma_pos, &
gamma_neg
real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: &
real(pReal), intent(out), optional, dimension(param(instance)%sum_N_sl) :: &
dgamma_dtau_pos, &
dgamma_dtau_neg, &
tau_pos_out, &
tau_neg_out
real(pReal), dimension(param(instance)%totalNslip) :: &
real(pReal), dimension(param(instance)%sum_N_sl) :: &
StressRatio, &
StressRatio_p,StressRatio_pminus1, &
dvel, vel, &
@ -627,7 +627,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
do j = 1, prm%totalNslip
do j = 1, prm%sum_N_sl
tau_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
tau_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j))
enddo
@ -637,7 +637,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
if (present(tau_neg_out)) tau_neg_out = tau_neg
associate(BoltzmannRatio => prm%delta_F/(kB*Temperature), &
DotGamma0 => stt%rho_mob(:,of)*prm%burgers*prm%v0, &
DotGamma0 => stt%rho_mob(:,of)*prm%b_sl*prm%v0, &
effectiveLength => dst%mfp(:,of) - prm%w)
significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
@ -646,8 +646,8 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
t_n = prm%burgers/(needsGoodName*prm%omega*effectiveLength)
t_k = effectiveLength * prm%B /(2.0_pReal*prm%burgers*tau_pos) ! our definition of tk is different with the one in dislotwin
t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos) ! our definition of tk is different with the one in dislotwin
vel = prm%kink_height/(t_n + t_k)
@ -676,8 +676,8 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
t_n = prm%burgers/(needsGoodName*prm%omega*effectiveLength)
t_k = effectiveLength * prm%B /(2.0_pReal*prm%burgers*tau_pos) ! our definition of tk is different with the one in dislotwin
t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos) ! our definition of tk is different with the one in dislotwin
vel = prm%kink_height/(t_n + t_k)