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improved accuracy of "accumulated shear": now added as a state variable, which facilitates integration (dotstate=shearrate); needs absolute tolerance value for state integration in material.config

This commit is contained in:
Christoph Kords 2013-04-04 13:37:14 +00:00
parent 96b7edcd94
commit 10e50bf41d
2 changed files with 52 additions and 33 deletions
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3
code/config/material.config
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@ -315,7 +315,8 @@ cutoffRadius 1e-3 # cutoff radius for dislocation
CFLfactor 2.0 # safety factor for CFL flux check (numerical parameter)
significantRho 1e6 # minimum dislocation density considered relevant in m/m**3
#significantN 0.1 # minimum dislocation number per ip considered relevant
absoluteToleranceRho 1e4 # absolute tolerance for dislocation density in m/m**3
aTol_density 1e4 # absolute tolerance for dislocation density in m/m**3
aTol_shear 1e-20 # absolute tolerance for plasgtic shear
deadZone 0 # switch for the modification of the shearrate in presence of dead dislocations
randomMultiplication 0 # switch for probabilistic extension of multiplication rate

76
code/constitutive_nonlocal.f90
View File

@ -41,7 +41,7 @@ private
character (len=*), parameter, public :: &
constitutive_nonlocal_label = 'nonlocal'
character(len=22), dimension(10), parameter, private :: &
character(len=22), dimension(11), parameter, private :: &
constitutive_nonlocal_listBasicStates = (/'rhoSglEdgePosMobile ', &
'rhoSglEdgeNegMobile ', &
'rhoSglScrewPosMobile ', &
@ -51,7 +51,8 @@ constitutive_nonlocal_listBasicStates = (/'rhoSglEdgePosMobile ', &
'rhoSglScrewPosImmobile', &
'rhoSglScrewNegImmobile', &
'rhoDipEdge ', &
'rhoDipScrew ' /)! list of "basic" microstructural state variables that are independent from other state variables
'rhoDipScrew ', &
'accumulatedshear ' /)! list of "basic" microstructural state variables that are independent from other state variables
character(len=16), dimension(3), parameter, private :: &
constitutive_nonlocal_listDependentStates = (/'rhoForest ', &
@ -110,6 +111,7 @@ constitutive_nonlocal_atomicVolume, & ! atomic vo
constitutive_nonlocal_Dsd0, & ! prefactor for self-diffusion coefficient
constitutive_nonlocal_Qsd, & ! activation enthalpy for diffusion
constitutive_nonlocal_aTolRho, & ! absolute tolerance for dislocation density in state integration
constitutive_nonlocal_aTolShear, & ! absolute tolerance for accumulated shear in state integration
constitutive_nonlocal_significantRho, & ! density considered significant
constitutive_nonlocal_significantN, & ! number of dislocations considered significant
constitutive_nonlocal_R, & ! cutoff radius for dislocation stress
@ -156,7 +158,6 @@ constitutive_nonlocal_interactionMatrixSlipSlip ! interacti
real(pReal), dimension(:,:,:,:), allocatable, private :: &
constitutive_nonlocal_lattice2slip, & ! orthogonal transformation matrix from lattice coordinate system to slip coordinate system (passive rotation !!!)
constitutive_nonlocal_accumulatedShear, & ! accumulated shear per slip system up to the start of the FE increment
constitutive_nonlocal_rhoDotEdgeJogs, &
constitutive_nonlocal_sourceProbability
@ -310,6 +311,7 @@ allocate(constitutive_nonlocal_atomicVolume(maxNinstance))
allocate(constitutive_nonlocal_Dsd0(maxNinstance))
allocate(constitutive_nonlocal_Qsd(maxNinstance))
allocate(constitutive_nonlocal_aTolRho(maxNinstance))
allocate(constitutive_nonlocal_aTolShear(maxNinstance))
allocate(constitutive_nonlocal_significantRho(maxNinstance))
allocate(constitutive_nonlocal_significantN(maxNinstance))
allocate(constitutive_nonlocal_Cslip_66(6,6,maxNinstance))
@ -341,6 +343,7 @@ constitutive_nonlocal_atomicVolume = 0.0_pReal
constitutive_nonlocal_Dsd0 = -1.0_pReal
constitutive_nonlocal_Qsd = 0.0_pReal
constitutive_nonlocal_aTolRho = 0.0_pReal
constitutive_nonlocal_aTolShear = 0.0_pReal
constitutive_nonlocal_significantRho = 0.0_pReal
constitutive_nonlocal_significantN = 0.0_pReal
constitutive_nonlocal_nu = 0.0_pReal
@ -500,8 +503,10 @@ do
constitutive_nonlocal_Dsd0(i) = IO_floatValue(line,positions,2_pInt)
case('selfdiffusionenergy','qsd')
constitutive_nonlocal_Qsd(i) = IO_floatValue(line,positions,2_pInt)
case('atol_rho','absolutetolerancerho','absolutetolerance_rho','absolutetolerancedensity','absolutetolerance_density')
case('atol_rho','atol_density','absolutetolerancedensity','absolutetolerance_density')
constitutive_nonlocal_aTolRho(i) = IO_floatValue(line,positions,2_pInt)
case('atol_shear','atol_plasticshear','atol_accumulatedshear','absolutetoleranceshear','absolutetolerance_shear')
constitutive_nonlocal_aTolShear(i) = IO_floatValue(line,positions,2_pInt)
case('significantrho','significant_rho','significantdensity','significant_density')
constitutive_nonlocal_significantRho(i) = IO_floatValue(line,positions,2_pInt)
case('significantn','significant_n','significantdislocations','significant_dislcations')
@ -635,6 +640,8 @@ enddo
//constitutive_nonlocal_label//')')
if (constitutive_nonlocal_aTolRho(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='aTol_rho (' &
//constitutive_nonlocal_label//')')
if (constitutive_nonlocal_aTolShear(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='aTol_shear (' &
//constitutive_nonlocal_label//')')
if (constitutive_nonlocal_significantRho(i) < 0.0_pReal) call IO_error(211_pInt,ext_msg='significantRho (' &
//constitutive_nonlocal_label//')')
if (constitutive_nonlocal_significantN(i) < 0.0_pReal) call IO_error(211_pInt,ext_msg='significantN (' &
@ -1059,6 +1066,14 @@ do myInstance = 1_pInt,maxNinstance
enddo
enddo
endif
do el = 1_pInt,mesh_NcpElems
do ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,el)))
if (constitutive_nonlocal_label == phase_plasticity(material_phase(1,ip,el)) &
.and. myInstance == phase_plasticityInstance(material_phase(1,ip,el))) then
state(1,ip,el)%p(10*ns+1:11*ns) = 0.0_pReal
endif
enddo
enddo
enddo
if (maxNinstance > 0_pInt) then
@ -1091,8 +1106,12 @@ real(pReal), dimension(constitutive_nonlocal_sizeState(myInstance)) :: &
constitutive_nonlocal_aTolState ! absolute state tolerance for the current instance of this plasticity
!*** local variables
integer(pInt) :: ns
constitutive_nonlocal_aTolState = constitutive_nonlocal_aTolRho(myInstance)
ns = constitutive_nonlocal_totalNslip(myInstance)
constitutive_nonlocal_aTolState = 0.0_pReal
constitutive_nonlocal_aTolState(1:10*ns) = constitutive_nonlocal_aTolRho(myInstance)
constitutive_nonlocal_aTolState(10*ns+1:11*ns) = constitutive_nonlocal_aTolShear(myInstance)
endfunction
@ -1436,9 +1455,9 @@ endif
!*** set dependent states
state(g,ip,el)%p(10_pInt*ns+1:11_pInt*ns) = rhoForest
state(g,ip,el)%p(11_pInt*ns+1:12_pInt*ns) = tauThreshold
state(g,ip,el)%p(12_pInt*ns+1:13_pInt*ns) = tauBack
state(g,ip,el)%p(11_pInt*ns+1:12_pInt*ns) = rhoForest
state(g,ip,el)%p(12_pInt*ns+1:13_pInt*ns) = tauThreshold
state(g,ip,el)%p(13_pInt*ns+1:14_pInt*ns) = tauBack
#ifndef _OPENMP
@ -1532,7 +1551,7 @@ real(pReal) tauRel_P, &
instance = phase_plasticityInstance(material_phase(g,ip,el))
ns = constitutive_nonlocal_totalNslip(instance)
tauThreshold = state%p(11_pInt*ns+1:12_pInt*ns)
tauThreshold = state%p(12_pInt*ns+1:13_pInt*ns)
tauEff = abs(tau) - tauThreshold
p = constitutive_nonlocal_p(instance)
@ -1719,7 +1738,7 @@ forall (s = 1_pInt:ns, t = 1_pInt:4_pInt) &
rhoSgl(s,t) = max(state%p((t-1_pInt)*ns+s), 0.0_pReal)
forall (s = 1_pInt:ns, t = 5_pInt:8_pInt) &
rhoSgl(s,t) = state%p((t-1_pInt)*ns+s)
tauBack = state%p(12_pInt*ns+1:13_pInt*ns)
tauBack = state%p(13_pInt*ns+1:14_pInt*ns)
where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < constitutive_nonlocal_significantN(myInstance) &
.or. abs(rhoSgl) < constitutive_nonlocal_significantRho(myInstance)) &
rhoSgl = 0.0_pReal
@ -1754,13 +1773,13 @@ if (myStructure == 1_pInt .and. NnonSchmid(myStructure) == 0_pInt) then ! for
do t = 1_pInt,4_pInt
v(1:ns,t) = v(1:ns,1)
dv_dtau(1:ns,t) = dv_dtau(1:ns,1)
state%p((12_pInt+t)*ns+1:(13_pInt+t)*ns) = v(1:ns,1)
state%p((13_pInt+t)*ns+1:(14_pInt+t)*ns) = v(1:ns,1)
enddo
else ! for all other lattice structures the velcities may vary with character and sign
do t = 1_pInt,4_pInt
c = (t-1_pInt)/2_pInt+1_pInt
call constitutive_nonlocal_kinetics(v(1:ns,t), tau(1:ns,t), c, Temperature, state, g, ip, el, dv_dtau(1:ns,t))
state%p((12+t)*ns+1:(13+t)*ns) = v(1:ns,t)
state%p((13+t)*ns+1:(14+t)*ns) = v(1:ns,t)
enddo
endif
@ -1906,11 +1925,11 @@ forall (s = 1_pInt:ns, t = 5_pInt:8_pInt) &
rhoSgl(s,t) = state(g,ip,el)%p((t-1_pInt)*ns+s)
forall (s = 1_pInt:ns, c = 1_pInt:2_pInt) &
rhoDip(s,c) = max(state(g,ip,el)%p((7_pInt+c)*ns+s), 0.0_pReal)
tauBack = state(g,ip,el)%p(12_pInt*ns+1:13_pInt*ns)
tauBack = state(g,ip,el)%p(13_pInt*ns+1:14_pInt*ns)
forall (t = 1_pInt:4_pInt) &
v(1_pInt:ns,t) = state(g,ip,el)%p((12_pInt+t)*ns+1_pInt:(13_pInt+t)*ns)
v(1_pInt:ns,t) = state(g,ip,el)%p((13_pInt+t)*ns+1_pInt:(14_pInt+t)*ns)
forall (c = 1_pInt:2_pInt) &
dUpperOld(1_pInt:ns,c) = state(g,ip,el)%p((16_pInt+c)*ns+1_pInt:(17_pInt+c)*ns)
dUpperOld(1_pInt:ns,c) = state(g,ip,el)%p((17_pInt+c)*ns+1_pInt:(18_pInt+c)*ns)
where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < constitutive_nonlocal_significantN(myInstance) &
.or. abs(rhoSgl) < constitutive_nonlocal_significantRho(myInstance)) &
rhoSgl = 0.0_pReal
@ -1974,7 +1993,7 @@ forall (t=1_pInt:4_pInt) &
!*** store new maximum dipole height in state
forall (c = 1_pInt:2_pInt) &
state(g,ip,el)%p((16_pInt+c)*ns+1_pInt:(17_pInt+c)*ns) = dUpper(1_pInt:ns,c)
state(g,ip,el)%p((17_pInt+c)*ns+1_pInt:(18_pInt+c)*ns) = dUpper(1_pInt:ns,c)
@ -2171,11 +2190,11 @@ forall (s = 1_pInt:ns, t = 5_pInt:8_pInt) &
rhoSgl(s,t) = state(g,ip,el)%p((t-1_pInt)*ns+s)
forall (s = 1_pInt:ns, c = 1_pInt:2_pInt) &
rhoDip(s,c) = max(state(g,ip,el)%p((7_pInt+c)*ns+s), 0.0_pReal)
rhoForest = state(g,ip,el)%p(10_pInt*ns+1:11_pInt*ns)
tauThreshold = state(g,ip,el)%p(11_pInt*ns+1_pInt:12_pInt*ns)
tauBack = state(g,ip,el)%p(12_pInt*ns+1:13_pInt*ns)
rhoForest = state(g,ip,el)%p(11_pInt*ns+1:12_pInt*ns)
tauThreshold = state(g,ip,el)%p(12_pInt*ns+1_pInt:13_pInt*ns)
tauBack = state(g,ip,el)%p(13_pInt*ns+1:14_pInt*ns)
forall (t = 1_pInt:4_pInt) &
v(1_pInt:ns,t) = state(g,ip,el)%p((12_pInt+t)*ns+1_pInt:(13_pInt+t)*ns)
v(1_pInt:ns,t) = state(g,ip,el)%p((13_pInt+t)*ns+1_pInt:(14_pInt+t)*ns)
rhoSglOriginal = rhoSgl
rhoDipOriginal = rhoDip
where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < constitutive_nonlocal_significantN(myInstance) &
@ -2365,14 +2384,14 @@ if (.not. phase_localPlasticity(material_phase(g,ip,el))) then
if (considerEnteringFlux) then
if(numerics_timeSyncing .and. (subfrac(g,neighboring_ip,neighboring_el) /= subfrac(g,ip,el))) then ! for timesyncing: in case of a timestep at the interface we have to use "state0" to make sure that fluxes n both sides are equal
forall (t = 1_pInt:4_pInt)
neighboring_v(1_pInt:ns,t) = state0(g,neighboring_ip,neighboring_el)%p((12_pInt+t)*ns+1_pInt:(13_pInt+t)*ns)
neighboring_v(1_pInt:ns,t) = state0(g,neighboring_ip,neighboring_el)%p((13_pInt+t)*ns+1_pInt:(14_pInt+t)*ns)
neighboring_rhoSgl(1_pInt:ns,t) = max(state0(g,neighboring_ip,neighboring_el)%p((t-1_pInt)*ns+1_pInt:t*ns), 0.0_pReal)
endforall
forall (t = 5_pInt:8_pInt) &
neighboring_rhoSgl(1_pInt:ns,t) = state0(g,neighboring_ip,neighboring_el)%p((t-1_pInt)*ns+1_pInt:t*ns)
else
forall (t = 1_pInt:4_pInt)
neighboring_v(1_pInt:ns,t) = state(g,neighboring_ip,neighboring_el)%p((12_pInt+t)*ns+1_pInt:(13_pInt+t)*ns)
neighboring_v(1_pInt:ns,t) = state(g,neighboring_ip,neighboring_el)%p((13_pInt+t)*ns+1_pInt:(14_pInt+t)*ns)
neighboring_rhoSgl(1_pInt:ns,t) = max(state(g,neighboring_ip,neighboring_el)%p((t-1_pInt)*ns+1_pInt:t*ns), 0.0_pReal)
endforall
forall (t = 5_pInt:8_pInt) &
@ -2588,6 +2607,7 @@ if ( any(rhoSglOriginal(1:ns,1:4) + rhoDot(1:ns,1:4) * timestep < -constituti
return
else
constitutive_nonlocal_dotState(1:10_pInt*ns) = reshape(rhoDot,(/10_pInt*ns/))
constitutive_nonlocal_dotState(10_pInt*ns+1:11_pInt*ns) = sum(gdot,2)
endif
endfunction
@ -3251,12 +3271,12 @@ forall (s = 1_pInt:ns, t = 5_pInt:8_pInt) &
rhoSgl(s,t) = state(g,ip,el)%p((t-1_pInt)*ns+s)
forall (c = 1_pInt:2_pInt) &
rhoDip(1:ns,c) = max(state(g,ip,el)%p((7_pInt+c)*ns+1_pInt:(8_pInt+c)*ns), 0.0_pReal)
rhoForest = state(g,ip,el)%p(10_pInt*ns+1:11_pInt*ns)
tauThreshold = state(g,ip,el)%p(11_pInt*ns+1:12_pInt*ns)
tauBack = state(g,ip,el)%p(12_pInt*ns+1:13_pInt*ns)
rhoForest = state(g,ip,el)%p(11_pInt*ns+1:12_pInt*ns)
tauThreshold = state(g,ip,el)%p(12_pInt*ns+1:13_pInt*ns)
tauBack = state(g,ip,el)%p(13_pInt*ns+1:14_pInt*ns)
forall (t = 1_pInt:8_pInt) rhoDotSgl(1:ns,t) = dotState%p((t-1_pInt)*ns+1_pInt:t*ns)
forall (c = 1_pInt:2_pInt) rhoDotDip(1:ns,c) = dotState%p((7_pInt+c)*ns+1_pInt:(8_pInt+c)*ns)
forall (t = 1_pInt:4_pInt) v(1:ns,t) = state(g,ip,el)%p((12_pInt+t)*ns+1_pInt:(13_pInt+t)*ns)
forall (t = 1_pInt:4_pInt) v(1:ns,t) = state(g,ip,el)%p((13_pInt+t)*ns+1_pInt:(14_pInt+t)*ns)
where (abs(rhoSgl) * mesh_ipVolume(ip,el) ** 0.667_pReal < constitutive_nonlocal_significantN(myInstance) &
.or. abs(rhoSgl) < constitutive_nonlocal_significantRho(myInstance)) &
rhoSgl = 0.0_pReal
@ -3625,9 +3645,7 @@ do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
cs = cs + 6_pInt
case('accumulatedshear')
constitutive_nonlocal_accumulatedShear(1:ns,g,ip,el) = constitutive_nonlocal_accumulatedShear(1:ns,g,ip,el) + sum(gdot,2)*dt
!$OMP FLUSH(constitutive_nonlocal_accumulatedShear)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = constitutive_nonlocal_accumulatedShear(1:ns,g,ip,el)
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(10*ns+1:11*ns)
cs = cs + ns
case('boundarylayer')