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easier to store atomic volume instead of scaling factor

This commit is contained in:
Martin Diehl 2019-01-29 06:14:58 +01:00
parent cd3cbf473c
commit 918860ab38
1 changed files with 12 additions and 12 deletions
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24
src/plastic_dislotwin.f90
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@ -46,7 +46,6 @@ module plastic_dislotwin
real(pReal) :: & real(pReal) :: &
mu, & mu, &
nu, & nu, &
CAtomicVolume, & !< atomic volume in Bugers vector unit
D0, & !< prefactor for self-diffusion coefficient D0, & !< prefactor for self-diffusion coefficient
Qsd, & !< activation energy for dislocation climb Qsd, & !< activation energy for dislocation climb
GrainSize, & !<grain size GrainSize, & !<grain size
@ -86,7 +85,8 @@ module plastic_dislotwin
Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system
twinsize, & !< twin thickness [m] for each twin system twinsize, & !< twin thickness [m] for each twin system
CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
lamellarsize, & !< martensite lamellar thickness [m] for each trans system and instance atomicVolume, &
lamellarsize, & !< martensite lamellar thickness [m] for each trans system and instance
p, & !< p-exponent in glide velocity p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity q, & !< q-exponent in glide velocity
r, & !< r-exponent in twin nucleation rate r, & !< r-exponent in twin nucleation rate
@ -307,6 +307,7 @@ subroutine plastic_dislotwin_init
defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) ! Deprecated defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) ! Deprecated
prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance') prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance')
prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers_slip**3.0_pReal
! expand: family => system ! expand: family => system
prm%rho0 = math_expand(prm%rho0, prm%Nslip) prm%rho0 = math_expand(prm%rho0, prm%Nslip)
@ -318,7 +319,8 @@ subroutine plastic_dislotwin_init
prm%p = math_expand(prm%p, prm%Nslip) prm%p = math_expand(prm%p, prm%Nslip)
prm%q = math_expand(prm%q, prm%Nslip) prm%q = math_expand(prm%q, prm%Nslip)
prm%B = math_expand(prm%B, prm%Nslip) prm%B = math_expand(prm%B, prm%Nslip)
prm%tau_peierls = math_expand(prm%tau_peierls, prm%Nslip) prm%tau_peierls = math_expand(prm%tau_peierls, prm%Nslip)
prm%atomicVolume = math_expand(prm%atomicVolume,prm%Nslip)
! sanity checks ! sanity checks
if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//'rho0 ' if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//'rho0 '
@ -450,7 +452,6 @@ subroutine plastic_dislotwin_init
prm%aTolTwinFrac = config%getFloat('atol_twinfrac', defaultVal=0.0_pReal) prm%aTolTwinFrac = config%getFloat('atol_twinfrac', defaultVal=0.0_pReal)
prm%aTolTransFrac = config%getFloat('atol_transfrac', defaultVal=0.0_pReal) prm%aTolTransFrac = config%getFloat('atol_transfrac', defaultVal=0.0_pReal)
prm%CAtomicVolume = config%getFloat('catomicvolume')
prm%GrainSize = config%getFloat('grainsize') prm%GrainSize = config%getFloat('grainsize')
@ -470,7 +471,7 @@ subroutine plastic_dislotwin_init
!if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) &
! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') ! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')')
if (prm%CAtomicVolume <= 0.0_pReal) & if (any(prm%atomicVolume <= 0.0_pReal)) &
call IO_error(211_pInt,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')')
if (prm%D0 <= 0.0_pReal) & if (prm%D0 <= 0.0_pReal) &
call IO_error(211_pInt,el=p,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=p,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')')
@ -830,7 +831,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
integer(pInt) :: i integer(pInt) :: i
real(pReal) :: f_unrotated,& real(pReal) :: f_unrotated,&
EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,& EdgeDipMinDistance,VacancyDiffusion,&
EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, &
DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, &
tau tau
@ -859,11 +860,11 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
significantSlipStress2: if (dEq0(tau)) then significantSlipStress2: if (dEq0(tau)) then
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
else significantSlipStress2 else significantSlipStress2
EdgeDipDistance = (3.0_pReal*prm%mu*prm%burgers_slip(i))/(16.0_pReal*PI*abs(tau)) EdgeDipDistance = 3.0_pReal*prm%mu*prm%burgers_slip(i)/(16.0_pReal*PI*abs(tau))
if (EdgeDipDistance>dst%mfp_slip(i,of)) EdgeDipDistance = dst%mfp_slip(i,of) if (EdgeDipDistance>dst%mfp_slip(i,of)) EdgeDipDistance = dst%mfp_slip(i,of)
if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance = EdgeDipMinDistance if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance = EdgeDipMinDistance
if (prm%dipoleFormation) then if (prm%dipoleFormation) then
DotRhoDipFormation = ((2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance))/prm%burgers_slip(i)) & DotRhoDipFormation = 2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance)/prm%burgers_slip(i) &
* stt%rhoEdge(i,of)*abs(gdot_slip(i)) * stt%rhoEdge(i,of)*abs(gdot_slip(i))
else else
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
@ -878,7 +879,6 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
* stt%rhoEdgeDip(i,of)*abs(gdot_slip(i)) * stt%rhoEdgeDip(i,of)*abs(gdot_slip(i))
!* Dislocation dipole climb !* Dislocation dipole climb
AtomicVolume = prm%CAtomicVolume*prm%burgers_slip(i)**(3.0_pReal) ! no need to calculate this over and over again
VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature))
if (dEq0(tau)) then if (dEq0(tau)) then
@ -887,7 +887,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
if (dEq0(EdgeDipDistance-EdgeDipMinDistance)) then if (dEq0(EdgeDipDistance-EdgeDipMinDistance)) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else else
ClimbVelocity = 3.0_pReal*prm%mu*VacancyDiffusion*AtomicVolume/ & ClimbVelocity = 3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume(i)/ &
(2.0_pReal*pi*kB*Temperature*(EdgeDipDistance+EdgeDipMinDistance)) (2.0_pReal*pi*kB*Temperature*(EdgeDipDistance+EdgeDipMinDistance))
DotRhoEdgeDipClimb = 4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(i,of)/ & DotRhoEdgeDipClimb = 4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(i,of)/ &
(EdgeDipDistance-EdgeDipMinDistance) (EdgeDipDistance-EdgeDipMinDistance)
@ -918,10 +918,10 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of)
implicit none implicit none
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
instance, & !< component-ID of integration point instance, &
of of
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
temperature !< temperature at IP temperature
integer(pInt) :: & integer(pInt) :: &
i i