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