* new output variable "internalstress", which gives the internal stress tensor
* use "math_invert3x3" instead of "math_inv3x3" for inversion of Fe * for dislocation stress calculation: first regular case, then special case of dead dislocations in central ip * "dv_dtau" now given for each dislocation type, so is a (ns,4) array * deleted unused variables in "_LpAndItsTangent" * corrected contribution of deads in "_LpAndItsTangent" * the NaN variables defined in math did not give a proper NaN value, so use 0.0/0.0 again * neighbors with nonlocal constitution but local properties (i.e. /nonlocal/ flag not set) are also considered for incoming fluxes
This commit is contained in:
Christoph Kords
parent
b412239d9f
commit
7be2701989
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@ -589,6 +589,8 @@ do i = 1,maxNinstance
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'd_upper_edge', &
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'd_upper_screw' )
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mySize = constitutive_nonlocal_totalNslip(i)
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case('internalstress')
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mySize = 6_pInt
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case default
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mySize = 0_pInt
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end select
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@ -839,7 +841,7 @@ use IO, only: IO_error
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use math, only: math_Mandel33to6, &
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math_mul33x33, &
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math_mul33x3, &
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math_inv3x3, &
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math_invert3x3, &
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math_transpose3x3, &
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pi
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use debug, only: debug_verbosity, &
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@ -907,7 +909,8 @@ real(pReal) nu, & ! poisson's ratio
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R, Rsquare, Rcube, &
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denominator, &
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flipSign, &
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neighboring_ipVolumeSideLength
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neighboring_ipVolumeSideLength, &
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detFe
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real(pReal), dimension(3) :: connection, & ! connection vector between me and my neighbor in the deformed configuration
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connection_neighboringLattice, & ! connection vector between me and my neighbor in the lattice configuration of my neighbor
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connection_neighboringSlip, & ! connection vector between me and my neighbor in the slip system frame of my neighbor
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@ -932,6 +935,7 @@ real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstan
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
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rhoForest, & ! forest dislocation density
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tauThreshold ! threshold shear stress
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logical inversionError
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phase = material_phase(g,ip,el)
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instance = phase_constitutionInstance(phase)
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@ -942,9 +946,12 @@ ns = constitutive_nonlocal_totalNslip(instance)
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!*** get basic states
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forall (t = 1:4) rhoSgl(1:ns,t) = max(state(g,ip,el)%p((t-1)*ns+1:t*ns), 0.0_pReal) ! ensure positive single mobile densities
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forall (t = 5:8) rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
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forall (c = 1:2) rhoDip(1:ns,c) = max(state(g,ip,el)%p((c+7)*ns+1:(c+8)*ns), 0.0_pReal) ! ensure positive dipole densities
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forall (s = 1:ns, t = 1:4) &
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rhoSgl(s,t) = max(state(g,ip,el)%p((t-1)*ns+s), 0.0_pReal) ! ensure positive single mobile densities
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forall (t = 5:8) &
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rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
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forall (s = 1:ns, c = 1:2) &
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rhoDip(s,c) = max(state(g,ip,el)%p((7+c)*ns+s), 0.0_pReal) ! ensure positive dipole densities
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@ -975,8 +982,10 @@ forall (s = 1:ns) &
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Tdislo = 0.0_pReal
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if (.not. phase_localConstitution(phase)) then
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invFe = math_inv3x3(Fe(1:3,1:3,1,ip,el))
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call math_invert3x3(Fe(1:3,1:3,1,ip,el), invFe, detFe, inversionError)
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! if (inversionError) then
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! return
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! endif
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!* in case of periodic surfaces we have to find out how many periodic images in each direction we need
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@ -1007,7 +1016,10 @@ if (.not. phase_localConstitution(phase)) then
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neighboring_instance = phase_constitutionInstance(neighboring_phase)
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neighboring_latticeStruct = constitutive_nonlocal_structure(neighboring_instance)
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neighboring_ns = constitutive_nonlocal_totalNslip(neighboring_instance)
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neighboring_invFe = math_inv3x3(Fe(1:3,1:3,1,neighboring_ip,neighboring_el))
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call math_invert3x3(Fe(1:3,1:3,1,neighboring_ip,neighboring_el), neighboring_invFe, detFe, inversionError)
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! if (inversionError) then
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! return
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! endif
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neighboring_ipVolumeSideLength = mesh_ipVolume(neighboring_ip,neighboring_el) ** (1.0_pReal/3.0_pReal) ! reference volume used here
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forall (s = 1:neighboring_ns, c = 1:2) &
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neighboring_rhoExcess(c,1,s) = state(g,neighboring_ip,neighboring_el)%p((2*c-2)*neighboring_ns+s) & ! positive mobiles
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@ -1022,37 +1034,10 @@ if (.not. phase_localConstitution(phase)) then
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do deltaZ = periodicImages(1,3),periodicImages(2,3)
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!* special case of central ip volume
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!* only consider dead dislocations
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!* we assume that they all sit at a distance equal to half the third root of V
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!* in direction of the according slip direction
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if (neighboring_el == el .and. neighboring_ip == ip &
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.and. deltaX == 0 .and. deltaY == 0 .and. deltaZ == 0) then
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forall (s = 1:ns, c = 1:2) &
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rhoExcessDead(c,s) = state(g,ip,el)%p((2*c+2)*ns+s) & ! positive deads (here we use symmetry: if this has negative sign it is treated as negative density at positive position instead of positive density at negative position)
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+ state(g,ip,el)%p((2*c+3)*ns+s) ! negative deads (here we use symmetry: if this has negative sign it is treated as positive density at positive position instead of negative density at negative position)
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do s = 1,ns
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if (all(abs(rhoExcessDead(:,s)) < constitutive_nonlocal_aTolRho(instance))) then
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cycle ! not significant
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endif
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sigma = 0.0_pReal ! all components except for sigma13 are zero
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sigma(1,3) = - (rhoExcessDead(1,s) + rhoExcessDead(2,s) * (1.0_pReal - nu)) * neighboring_ipVolumeSideLength &
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* constitutive_nonlocal_Gmod(instance) * constitutive_nonlocal_burgersPerSlipSystem(s,instance) &
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/ (sqrt(2.0_pReal) * pi * (1.0_pReal - nu))
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sigma(3,1) = sigma(1,3)
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Tdislo_neighboringLattice = Tdislo_neighboringLattice &
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+ math_mul33x33(math_transpose3x3(constitutive_nonlocal_lattice2slip(1:3,1:3,s,instance)), &
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math_mul33x33(sigma, constitutive_nonlocal_lattice2slip(1:3,1:3,s,instance)))
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enddo ! slip system loop
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!* regular case
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else
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if (neighboring_el /= el .or. neighboring_ip /= ip &
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.or. deltaX /= 0_pInt .or. deltaY /= 0_pInt .or. deltaZ /= 0_pInt) then
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neighboring_ipCoords = mesh_ipCenterOfGravity(1:3,neighboring_ip,neighboring_el) &
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+ (/real(deltaX,pReal), real(deltaY,pReal), real(deltaZ,pReal)/) * meshSize
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@ -1185,6 +1170,33 @@ if (.not. phase_localConstitution(phase)) then
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enddo ! slip system loop
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!* special case of central ip volume
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!* only consider dead dislocations
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!* we assume that they all sit at a distance equal to half the third root of V
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!* in direction of the according slip direction
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else
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forall (s = 1:ns, c = 1:2) &
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rhoExcessDead(c,s) = state(g,ip,el)%p((2*c+2)*ns+s) & ! positive deads (here we use symmetry: if this has negative sign it is treated as negative density at positive position instead of positive density at negative position)
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+ state(g,ip,el)%p((2*c+3)*ns+s) ! negative deads (here we use symmetry: if this has negative sign it is treated as positive density at positive position instead of negative density at negative position)
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do s = 1,ns
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if (all(abs(rhoExcessDead(:,s)) < constitutive_nonlocal_aTolRho(instance))) then
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cycle ! not significant
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endif
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sigma = 0.0_pReal ! all components except for sigma13 are zero
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sigma(1,3) = - (rhoExcessDead(1,s) + rhoExcessDead(2,s) * (1.0_pReal - nu)) * neighboring_ipVolumeSideLength &
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* constitutive_nonlocal_Gmod(instance) * constitutive_nonlocal_burgersPerSlipSystem(s,instance) &
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/ (sqrt(2.0_pReal) * pi * (1.0_pReal - nu))
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sigma(3,1) = sigma(1,3)
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Tdislo_neighboringLattice = Tdislo_neighboringLattice &
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+ math_mul33x33(math_transpose3x3(constitutive_nonlocal_lattice2slip(1:3,1:3,s,instance)), &
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math_mul33x33(sigma, constitutive_nonlocal_lattice2slip(1:3,1:3,s,instance)))
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enddo ! slip system loop
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endif
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enddo ! deltaZ loop
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@ -1261,21 +1273,23 @@ type(p_vec), intent(in) :: state ! micros
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real(pReal), dimension(6), intent(in) :: Tstar_v ! 2nd Piola-Kirchhoff stress in Mandel notation
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!*** output variables
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))), &
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4), &
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intent(out), optional :: dv_dtau ! velocity derivative with respect to resolved shear stress
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!*** local variables
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integer(pInt) myInstance, & ! current instance of this constitution
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myStructure, & ! current lattice structure
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ns, & ! short notation for the total number of active slip systems
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s ! index of my current slip system
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s, & ! index of my current slip system
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t ! index of dislocation character
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real(pReal), dimension(6) :: Tdislocation_v ! dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
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tauThreshold, & ! threshold shear stress
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tau, & ! resolved shear stress
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rhoForest ! forest dislocation density
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
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v ! velocity for the current element and ip
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v, & ! velocity for the current element and ip
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rhoSgl
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real(pReal) boltzmannProbability, &
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tauRel, & ! relative thermally active resolved shear stress
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wallFunc, & ! functions reflecting the shape of the obstacle wall (see PhD thesis Mohles p.53)
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@ -1286,6 +1300,8 @@ myInstance = phase_constitutionInstance(material_phase(g,ip,el))
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myStructure = constitutive_nonlocal_structure(myInstance)
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ns = constitutive_nonlocal_totalNslip(myInstance)
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forall (s = 1:ns, t = 1:4) &
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rhoSgl(s,t) = max(state%p((t-1)*ns+s), 0.0_pReal)
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rhoForest = state%p(10*ns+1:11*ns)
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tauThreshold = state%p(11*ns+1:12*ns)
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Tdislocation_v = state%p(12*ns+1:12*ns+6)
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@ -1322,8 +1338,8 @@ if (Temperature > 0.0_pReal) then
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v(s,1:4) = sign(constitutive_nonlocal_vs(myInstance),tau(s)) * timeRatio / (1.0_pReal + timeRatio)
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if (present(dv_dtau)) then
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dv_dtau(s) = abs(v(s,1)) * constitutive_nonlocal_Qeff0(s,myInstance) / (kB * Temperature * (1.0_pReal + timeRatio)) &
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* 0.5_pReal * wallFunc * (2.0_pReal - tauRel) / ((1.0_pReal - tauRel) * (abs(tau(s)) - tauThreshold(s)))
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dv_dtau(s,1:4) = abs(v(s,1:4)) * constitutive_nonlocal_Qeff0(s,myInstance) / (kB * Temperature * (1.0_pReal + timeRatio)) &
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* 0.5_pReal * wallFunc * (2.0_pReal - tauRel) / ((1.0_pReal - tauRel) * (abs(tau(s)) - tauThreshold(s)))
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endif
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!*** If resolved stress exceeds threshold plus obstacle stress, the probability for thermal activation is 1.
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@ -1331,7 +1347,7 @@ if (Temperature > 0.0_pReal) then
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elseif (tauRel >= 1.0_pReal) then
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v(s,1:4) = sign(constitutive_nonlocal_vs(myInstance), tau(s)) * constitutive_nonlocal_fattack(myInstance) &
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/ (constitutive_nonlocal_vs(myInstance) * sqrt(rhoForest(s)) + constitutive_nonlocal_fattack(myInstance))
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/ (constitutive_nonlocal_vs(myInstance) * sqrt(rhoForest(s)) + constitutive_nonlocal_fattack(myInstance))
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endif
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enddo
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endif
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@ -1404,21 +1420,16 @@ integer(pInt) myInstance, & ! curren
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s, & ! index of my current slip system
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sLattice ! index of my current slip system according to lattice order
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real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 ! derivative of Lp with respect to Tstar (3x3x3x3 matrix)
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: &
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rhoSgl ! single dislocation densities (including used)
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
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gdot ! shear rate per dislocation type
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rhoSgl, & ! single dislocation densities (including used)
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dv_dtau ! velocity derivative with respect to the shear stress
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
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tauThreshold, & ! threshold shear stress
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gdotTotal, & ! shear rate
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dv_dtau, & ! velocity derivative with respect to the shear stress
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dgdotTotal_dtau, & ! derivative of the shear rate with respect to the shear stress
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rhoForest ! forest dislocation density
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dgdotTotal_dtau ! derivative of the shear rate with respect to the shear stress
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!*** initialize local variables
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gdot = 0.0_pReal
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Lp = 0.0_pReal
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dLp_dTstar3333 = 0.0_pReal
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@ -1434,21 +1445,16 @@ call constitutive_nonlocal_kinetics(Tstar_v, Temperature, state(g,ip,el), g, ip,
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!*** shortcut to state variables
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forall (t = 1:8) &
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rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
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forall (s = 1:ns, t = 5:8, rhoSgl(s,t) * constitutive_nonlocal_v(s,t-4,g,ip,el) < 0.0_pReal) & ! contribution of used rho for changing sign of v
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rhoSgl(s,t-4) = rhoSgl(s,t-4) + abs(rhoSgl(s,t))
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rhoForest = state(g,ip,el)%p(10*ns+1:11*ns)
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tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns)
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forall (s = 1:ns, t = 1:4) &
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rhoSgl(s,t) = max(state(g,ip,el)%p((t-1)*ns+s), 0.0_pReal)
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forall (s = 1:ns, t = 5:8, state(g,ip,el)%p((t-1)*ns+s) * constitutive_nonlocal_v(s,t-4,g,ip,el) < 0.0_pReal) & ! dead dislocations cntribute instantaneously to slip when sign of velocity changes
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rhoSgl(s,t-4) = rhoSgl(s,t-4) + abs(state(g,ip,el)%p((t-1)*ns+s))
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!*** Calculation of gdot and its tangent
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forall (t = 1:4) &
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gdot(1:ns,t) = rhoSgl(1:ns,t) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) &
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* constitutive_nonlocal_v(1:ns,t,g,ip,el)
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gdotTotal = sum(gdot,2)
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dgdotTotal_dtau = sum(rhoSgl(1:ns,1:4),2) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) * dv_dtau
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gdotTotal = sum(rhoSgl * constitutive_nonlocal_v(1:ns,1:4,g,ip,el), 2) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance)
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dgdotTotal_dtau = sum(rhoSgl * dv_dtau, 2) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance)
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!*** Calculation of Lp and its tangent
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@ -1467,7 +1473,6 @@ dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333)
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write(6,*)
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write(6,'(a,i8,x,i2,x,i1)') '<< CONST >> nonlocal_LpandItsTangent at el ip g ',el,ip,g
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write(6,*)
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write(6,'(a,/,4(12(x),12(f12.5,x)),/)') '<< CONST >> gdot / 1e-3',gdot*1e3_pReal
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write(6,'(a,/,12(x),12(f12.5,x))') '<< CONST >> gdot total / 1e-3',gdotTotal*1e3_pReal
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write(6,'(a,/,3(12(x),3(f12.7,x),/))') '<< CONST >> Lp',Lp
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endif
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@ -1517,7 +1522,8 @@ use mesh, only: mesh_NcpElems, &
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use material, only: homogenization_maxNgrains, &
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material_phase, &
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phase_constitutionInstance, &
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phase_localConstitution
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phase_localConstitution, &
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phase_constitution
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use lattice, only: lattice_Sslip, &
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lattice_Sslip_v, &
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lattice_sd, &
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@ -1637,8 +1643,12 @@ dUpper = 0.0_pReal
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!*** shortcut to state variables
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forall (t = 1:8) rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
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forall (c = 1:2) rhoDip(1:ns,c) = state(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
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forall (s = 1:ns, t = 1:4) &
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rhoSgl(s,t) = max(state(g,ip,el)%p((t-1)*ns+s), 0.0_pReal)
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forall (s = 1:ns, t = 5:8) &
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rhoSgl(s,t) = state(g,ip,el)%p((t-1)*ns+s)
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forall (s = 1:ns, c = 1:2) &
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rhoDip(s,c) = max(state(g,ip,el)%p((7+c)*ns+s), 0.0_pReal)
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rhoForest = state(g,ip,el)%p(10*ns+1:11*ns)
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tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns)
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Tdislocation_v = state(g,ip,el)%p(12*ns+1:12*ns+6)
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@ -1679,7 +1689,12 @@ forall (s = 1:ns, t = 1:4, rhoSgl(s,t+4) * constitutive_nonlocal_v(s,t,g,ip,el)
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if (any(1.2_pReal * constitutive_nonlocal_v(1:ns,1:4,g,ip,el) * timestep & ! security factor 1.2
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> mesh_ipVolume(ip,el) / maxval(mesh_ipArea(:,ip,el)))) then ! reference volume and area
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dotState%p = NaN(3)
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#ifndef _OPENMP
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if (debug_verbosity > 6) then
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write(6,*) '<< CONST >> CFL condition not fullfilled'
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endif
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#endif
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dotState%p = 0.0_pReal/0.0_pReal
|
||||
return
|
||||
endif
|
||||
|
||||
|
|
@ -1785,14 +1800,14 @@ if (.not. phase_localConstitution(material_phase(g,ip,el))) then
|
|||
|
||||
|
||||
!* FLUX FROM MY NEIGHBOR TO ME
|
||||
!* This is only considered, if I have a neighbor of nonlocal constitution that is at least a little bit compatible.
|
||||
!* This is only considered, if I have a neighbor of nonlocal constitution (also nonlocal constitutive law with local properties) that is at least a little bit compatible.
|
||||
!* If it's not at all compatible, no flux is arriving, because everything is dammed in front of my neighbor's interface.
|
||||
!* The entering flux from my neighbor will be distributed on my slip systems according to the compatibility
|
||||
|
||||
considerEnteringFlux = .false.
|
||||
neighboring_fluxdensity = 0.0_pReal ! needed for check of sign change in flux density below
|
||||
if (neighboring_el > 0_pInt .or. neighboring_ip > 0_pInt) then
|
||||
if (.not. phase_localConstitution(material_phase(1,neighboring_ip,neighboring_el)) &
|
||||
if (phase_constitution(material_phase(1,neighboring_ip,neighboring_el)) == constitutive_nonlocal_label &
|
||||
.and. any(constitutive_nonlocal_compatibility(:,:,:,n,ip,el) > 0.0_pReal)) &
|
||||
considerEnteringFlux = .true.
|
||||
endif
|
||||
|
|
@ -1826,7 +1841,7 @@ if (.not. phase_localConstitution(material_phase(g,ip,el))) then
|
|||
|
||||
|
||||
!* FLUX FROM ME TO MY NEIGHBOR
|
||||
!* This is not considered, if my opposite neighbor has a local constitution.
|
||||
!* This is not considered, if my opposite neighbor has a different constitutive law than nonlocal (still considered for nonlocal law with lcal properties).
|
||||
!* Then, we assume, that the opposite(!) neighbor sends an equal amount of dislocations to me.
|
||||
!* So the net flux in the direction of my neighbor is equal to zero:
|
||||
!* leaving flux to neighbor == entering flux from opposite neighbor
|
||||
|
|
@ -1835,7 +1850,7 @@ if (.not. phase_localConstitution(material_phase(g,ip,el))) then
|
|||
|
||||
considerLeavingFlux = .true.
|
||||
if (opposite_el > 0 .and. opposite_ip > 0) then
|
||||
if (phase_localConstitution(material_phase(1,opposite_ip,opposite_el))) &
|
||||
if (phase_constitution(material_phase(1,opposite_ip,opposite_el)) /= constitutive_nonlocal_label) &
|
||||
considerLeavingFlux = .false.
|
||||
endif
|
||||
|
||||
|
|
@ -2167,6 +2182,7 @@ use math, only: math_norm3, &
|
|||
math_inv3x3, &
|
||||
math_det3x3, &
|
||||
math_Mandel6to33, &
|
||||
math_transpose3x3, &
|
||||
pi
|
||||
use mesh, only: mesh_NcpElems, &
|
||||
mesh_maxNips, &
|
||||
|
|
@ -2229,7 +2245,7 @@ real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInst
|
|||
m_currentconf ! direction of dislocation motion for edge and screw (unit vector) in current configuration
|
||||
real(pReal), dimension(6) :: Tdislocation_v ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
|
||||
real(pReal) D ! self diffusion
|
||||
|
||||
real(pReal), dimension(3,3) :: sigma
|
||||
|
||||
myInstance = phase_constitutionInstance(material_phase(g,ip,el))
|
||||
myStructure = constitutive_nonlocal_structure(myInstance)
|
||||
|
|
@ -2613,6 +2629,16 @@ do o = 1,phase_Noutput(material_phase(g,ip,el))
|
|||
case ('d_upper_screw')
|
||||
constitutive_nonlocal_postResults(cs+1:cs+ns) = dUpper(1:ns,2)
|
||||
cs = cs + ns
|
||||
|
||||
case('internalstress')
|
||||
sigma = math_mul33x33(Fe, math_mul33x33(math_Mandel6to33(Tdislocation_v), math_transpose3x3(Fe))) / math_det3x3(Fe)
|
||||
constitutive_nonlocal_postResults(cs+1) = sigma(1,1)
|
||||
constitutive_nonlocal_postResults(cs+2) = sigma(2,2)
|
||||
constitutive_nonlocal_postResults(cs+3) = sigma(3,3)
|
||||
constitutive_nonlocal_postResults(cs+4) = sigma(1,2)
|
||||
constitutive_nonlocal_postResults(cs+5) = sigma(2,3)
|
||||
constitutive_nonlocal_postResults(cs+6) = sigma(3,1)
|
||||
cs = cs + 6_pInt
|
||||
|
||||
end select
|
||||
enddo
|
||||
|
|
|
|||
Loading…
Reference in New Issue