simplifying
This commit is contained in:
Martin Diehl
parent
e604a3d9cc
commit
91a2748131
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@ -2617,7 +2617,7 @@ end function math_rotate_forward3333
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!> @brief limits a scalar value to a certain range (either one or two sided)
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! Will return NaN if left > right
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!--------------------------------------------------------------------------------------------------
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real(pReal) pure function math_clip(a, left, right)
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real(pReal) pure elemental function math_clip(a, left, right)
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use, intrinsic :: &
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IEEE_arithmetic
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@ -26,10 +26,7 @@ module plastic_disloUCLA
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plastic_disloUCLA_totalNslip !< total number of active slip systems for each instance
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real(pReal), dimension(:), allocatable, private :: &
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plastic_disloUCLA_CAtomicVolume, & !< atomic volume in Bugers vector unit
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plastic_disloUCLA_Qsd, & !< activation energy for dislocation climb
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plastic_disloUCLA_CEdgeDipMinDistance, & !<
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plastic_disloUCLA_dipoleFormationFactor !< scaling factor for dipole formation: 0: off, 1: on. other values not useful
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plastic_disloUCLA_Qsd !< activation energy for dislocation climb
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real(pReal), dimension(:,:,:), allocatable, private :: &
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@ -200,13 +197,8 @@ material_allocatePlasticState
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allocate(plastic_disloUCLA_totalNslip(maxNinstance), source=0_pInt)
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allocate(plastic_disloUCLA_CAtomicVolume(maxNinstance), source=0.0_pReal)
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allocate(plastic_disloUCLA_CEdgeDipMinDistance(maxNinstance), source=0.0_pReal)
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allocate(plastic_disloUCLA_Qsd(maxNinstance), source=0.0_pReal)
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allocate(plastic_disloUCLA_dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default
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allocate(param(maxNinstance))
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allocate(state(maxNinstance))
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@ -267,9 +259,11 @@ do p = 1_pInt, size(phase_plasticityInstance)
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prm%D0 = config_phase(p)%getFloat('d0')
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plastic_disloUCLA_Qsd(phase_plasticityInstance(p)) = config_phase(p)%getFloat('qsd')
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plastic_disloUCLA_CEdgeDipMinDistance(phase_plasticityInstance(p)) = config_phase(p)%getFloat('cedgedipmindistance')
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plastic_disloUCLA_CAtomicVolume(phase_plasticityInstance(p)) = config_phase(p)%getFloat('catomicvolume')
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plastic_disloUCLA_dipoleFormationFactor(phase_plasticityInstance(p)) = config_phase(p)%getFloat('dipoleformationfactor')
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prm%dipoleformation = config_phase(p)%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default
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prm%atomicVolume = config_phase(p)%getFloat('catomicvolume') * prm%burgers**3.0_pReal
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prm%minDipDistance = config_phase(p)%getFloat('cedgedipmindistance') * prm%burgers
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! expand: family => system
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prm%rho0 = math_expand(prm%rho0, prm%Nslip)
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@ -285,15 +279,17 @@ do p = 1_pInt, size(phase_plasticityInstance)
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prm%v0 = math_expand(prm%v0, prm%Nslip)
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prm%B = math_expand(prm%B, prm%Nslip)
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prm%clambda = math_expand(prm%clambda, prm%Nslip)
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prm%atomicVolume = math_expand(prm%atomicVolume, prm%Nslip)
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prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip)
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instance = phase_plasticityInstance(p)
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plastic_disloUCLA_totalNslip(instance) = prm%totalNslip
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!if (plastic_disloUCLA_CAtomicVolume(instance) <= 0.0_pReal) &
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! call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOUCLA_label//')')
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if (prm%D0 <= 0.0_pReal) &
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call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOUCLA_label//')')
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if (plastic_disloUCLA_Qsd(instance) <= 0.0_pReal) &
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call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOUCLA_label//')')
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! if (prm%D0 <= 0.0_pReal) &
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! call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOUCLA_label//')')
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! if (plastic_disloUCLA_Qsd(instance) <= 0.0_pReal) &
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! call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOUCLA_label//')')
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! if (plastic_disloUCLA_aTolRho(instance) <= 0.0_pReal) &
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! call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOUCLA_label//')')
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@ -564,82 +560,70 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
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temperature !< temperature at integration point
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integer(pInt), intent(in) :: &
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instance, of
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integer(pInt) :: ns,j
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integer(pInt) :: j
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real(pReal) :: &
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EdgeDipMinDistance,&
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AtomicVolume,&
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VacancyDiffusion,&
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EdgeDipDistance, &
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DotRhoEdgeDipAnnihilation, &
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DotRhoEdgeEdgeAnnihilation, &
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ClimbVelocity, &
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DotRhoEdgeDipClimb, &
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DotRhoDipFormation
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DotRhoEdgeDipClimb
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real(pReal), dimension(plastic_disloUCLA_totalNslip(instance)) :: &
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gdot_slip_pos, gdot_slip_neg,&
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tau_slip_pos,&
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tau_slip_neg, &
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dgdot_dtauslip_neg,dgdot_dtauslip_pos
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dgdot_dtauslip_neg,dgdot_dtauslip_pos,DotRhoDipFormation, ClimbVelocity, EdgeDipDistance
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ns = plastic_disloUCLA_totalNslip(instance)
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dotState(instance)%whole(:,of) = 0.0_pReal
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associate(prm => param(instance), stt => state(instance),dot => dotState(instance), mse => microstructure(instance))
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!* Dislocation density evolution
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associate(prm => param(instance), stt => state(instance),dot => dotState(instance), mse => microstructure(instance))
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call kinetics(Mp,Temperature,instance,of, &
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gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg)
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dotState(instance)%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg)*0.5_pReal
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dot%whole(:,of) = 0.0_pReal
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dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg)*0.5_pReal
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do j = 1_pInt, prm%totalNslip
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EdgeDipMinDistance = plastic_disloUCLA_CEdgeDipMinDistance(instance)*prm%burgers(j)
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AtomicVolume = plastic_disloUCLA_CAtomicVolume(instance)*prm%burgers(j)**(3.0_pReal)
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do j = 1_pInt, prm%totalNslip
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!* Dipole formation
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if (dEq0(tau_slip_pos(j))) then
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DotRhoDipFormation = 0.0_pReal
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if (dEq0(tau_slip_pos(j)) .or. (.not. prm%dipoleformation)) then
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DotRhoDipFormation(j) = 0.0_pReal
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EdgeDipDistance(j)=mse%mfp(j,of) !ToDo MD@FR: correct? was not handled properly before
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else
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EdgeDipDistance = &
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EdgeDipDistance(j) = &
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(3.0_pReal*prm%mu*prm%burgers(j))/&
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(16.0_pReal*pi*abs(tau_slip_pos(j)))
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if (EdgeDipDistance>mse%mfp(j,of)) EdgeDipDistance=mse%mfp(j,of)
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if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance=EdgeDipMinDistance
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DotRhoDipFormation = &
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((2.0_pReal*EdgeDipDistance)/prm%burgers(j))*&
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stt%rhoEdge(j,of)*abs(dotState(instance)%accshear_slip(j,of))*plastic_disloUCLA_dipoleFormationFactor(instance)
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if (EdgeDipDistance(j)>mse%mfp(j,of)) EdgeDipDistance(j)=mse%mfp(j,of)
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if (EdgeDipDistance(j)<prm%minDipDistance(j)) EdgeDipDistance(j)=prm%minDipDistance(j)
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DotRhoDipFormation(j) = &
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((2.0_pReal*EdgeDipDistance(j))/prm%burgers(j))*&
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stt%rhoEdge(j,of)*abs(dot%accshear_slip(j,of))
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endif
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!* Spontaneous annihilation of 2 single edge dislocations
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DotRhoEdgeEdgeAnnihilation = &
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((2.0_pReal*EdgeDipMinDistance)/prm%burgers(j))*&
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stt%rhoEdge(j,of)*abs(dot%accshear_slip(j,of))
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!* Spontaneous annihilation of a single edge dislocation with a dipole constituent
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DotRhoEdgeDipAnnihilation = &
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((2.0_pReal*EdgeDipMinDistance)/prm%burgers(j))*&
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stt%rhoEdgeDip(j,of)*abs(dotState(instance)%accshear_slip(j,of))
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!* Dislocation dipole climb
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VacancyDiffusion = prm%D0*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature))
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if (dEq0(tau_slip_pos(j))) then
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DotRhoEdgeDipClimb = 0.0_pReal
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else
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ClimbVelocity = &
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((3.0_pReal*prm%mu*VacancyDiffusion*AtomicVolume)/(2.0_pReal*pi*kB*Temperature))*&
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(1/(EdgeDipDistance+EdgeDipMinDistance))
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ClimbVelocity(j) = &
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((3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume(j))/(2.0_pReal*pi*kB*Temperature))*&
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(1/(EdgeDipDistance(j)+prm%minDipDistance(j)))
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DotRhoEdgeDipClimb = &
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(4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(j,of))/(EdgeDipDistance-EdgeDipMinDistance)
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(4.0_pReal*ClimbVelocity(j)*stt%rhoEdgeDip(j,of))/(EdgeDipDistance(j)-prm%minDipDistance(j))
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endif
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!* Edge dislocation density rate of change
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dot%rhoEdge(j,of) = abs(dot%accshear_slip(j,of))/(prm%burgers(j)*mse%mfp(j,of)) & ! multiplication
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- DotRhoDipFormation &
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- DotRhoEdgeEdgeAnnihilation
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- DotRhoDipFormation(j) &
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- ((2.0_pReal*prm%minDipDistance(j))/prm%burgers(j))*&
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stt%rhoEdge(j,of)*abs(dot%accshear_slip(j,of)) !* Spontaneous annihilation of 2 single edge dislocations
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!* Edge dislocation dipole density rate of change
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dot%rhoEdgeDip(j,of) = DotRhoDipFormation &
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- DotRhoEdgeDipAnnihilation &
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dot%rhoEdgeDip(j,of) = DotRhoDipFormation(j) &
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- ((2.0_pReal*prm%minDipDistance(j))/prm%burgers(j))*&
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stt%rhoEdgeDip(j,of)*abs(dot%accshear_slip(j,of)) & !* Spontaneous annihilation of a single edge dislocation with a dipole constituent
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- DotRhoEdgeDipClimb
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@ -797,9 +781,7 @@ instance,of
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) &
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)
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gdot_slip_pos(j) = DotGamma0 &
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* vel_slip &
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* sign(1.0_pReal,tau_slip_pos(j))
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gdot_slip_pos(j) = DotGamma0 * sign(vel_slip,tau_slip_pos(j))
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!* Derivatives of shear rates
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dvel_slip = &
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@ -866,9 +848,7 @@ instance,of
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) &
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)
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gdot_slip_neg(j) = DotGamma0 &
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* vel_slip &
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* sign(1.0_pReal,tau_slip_neg(j))
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gdot_slip_neg(j) = DotGamma0 * sign(vel_slip,tau_slip_neg(j))
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!* Derivatives of shear rates
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dvel_slip = &
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2.0_pReal*prm%burgers(j) &
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