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