diff --git a/VERSION b/VERSION index 069730c70..119546fa7 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-514-gbfa56e9b +v2.0.2-540-gce6e6679 diff --git a/src/math.f90 b/src/math.f90 index d8f0da778..440ee5303 100644 --- a/src/math.f90 +++ b/src/math.f90 @@ -12,7 +12,7 @@ module math implicit none private - real(pReal), parameter, public :: PI = 3.141592653589793_pReal !< ratio of a circle's circumference to its diameter + real(pReal), parameter, public :: PI = acos(-1.0_pReal) !< ratio of a circle's circumference to its diameter real(pReal), parameter, public :: INDEG = 180.0_pReal/PI !< conversion from radian into degree real(pReal), parameter, public :: INRAD = PI/180.0_pReal !< conversion from degree into radian complex(pReal), parameter, public :: TWOPIIMG = (0.0_pReal,2.0_pReal)*(PI,0.0_pReal) !< Re(0.0), Im(2xPi) @@ -36,13 +36,13 @@ module math real(pReal), dimension(6), parameter, private :: & nrmMandel = [& - 1.0_pReal, 1.0_pReal, 1.0_pReal,& - 1.414213562373095_pReal, 1.414213562373095_pReal, 1.414213562373095_pReal ] !< weighting for Mandel notation (forward) + 1.0_pReal, 1.0_pReal, 1.0_pReal, & + sqrt(2.0_pReal), sqrt(2.0_pReal), sqrt(2.0_pReal) ] !< weighting for Mandel notation (forward) real(pReal), dimension(6), parameter , public :: & invnrmMandel = [& - 1.0_pReal, 1.0_pReal, 1.0_pReal,& - 0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.7071067811865476_pReal ] !< weighting for Mandel notation (backward) + 1.0_pReal, 1.0_pReal, 1.0_pReal, & + 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal) ] !< weighting for Mandel notation (backward) integer(pInt), dimension (2,6), parameter, private :: & mapVoigt = reshape([& @@ -160,7 +160,7 @@ module math math_rotate_forward33, & math_rotate_backward33, & math_rotate_forward3333, & - math_limit + math_clip private :: & math_check, & halton @@ -1366,16 +1366,16 @@ pure function math_RtoEuler(R) sqhk =sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3)) ! calculate PHI - math_RtoEuler(2) = acos(math_limit(R(3,3)/sqhkl,-1.0_pReal, 1.0_pReal)) + math_RtoEuler(2) = acos(math_clip(R(3,3)/sqhkl,-1.0_pReal, 1.0_pReal)) if((math_RtoEuler(2) < 1.0e-8_pReal) .or. (pi-math_RtoEuler(2) < 1.0e-8_pReal)) then math_RtoEuler(3) = 0.0_pReal - math_RtoEuler(1) = acos(math_limit(R(1,1)/squvw, -1.0_pReal, 1.0_pReal)) + math_RtoEuler(1) = acos(math_clip(R(1,1)/squvw, -1.0_pReal, 1.0_pReal)) if(R(2,1) > 0.0_pReal) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1) else - math_RtoEuler(3) = acos(math_limit(R(2,3)/sqhk, -1.0_pReal, 1.0_pReal)) + math_RtoEuler(3) = acos(math_clip(R(2,3)/sqhk, -1.0_pReal, 1.0_pReal)) if(R(1,3) < 0.0) math_RtoEuler(3) = 2.0_pReal*pi-math_RtoEuler(3) - math_RtoEuler(1) = acos(math_limit(-R(3,2)/sin(math_RtoEuler(2)), -1.0_pReal, 1.0_pReal)) + math_RtoEuler(1) = acos(math_clip(-R(3,2)/sin(math_RtoEuler(2)), -1.0_pReal, 1.0_pReal)) if(R(3,1) < 0.0) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1) end if @@ -1657,7 +1657,7 @@ pure function math_qToEuler(qPassive) math_qToEuler(2) = acos(1.0_pReal-2.0_pReal*(q(2)**2+q(3)**2)) if (abs(math_qToEuler(2)) < 1.0e-6_pReal) then - math_qToEuler(1) = sign(2.0_pReal*acos(math_limit(q(1),-1.0_pReal, 1.0_pReal)),q(4)) + math_qToEuler(1) = sign(2.0_pReal*acos(math_clip(q(1),-1.0_pReal, 1.0_pReal)),q(4)) math_qToEuler(3) = 0.0_pReal else math_qToEuler(1) = atan2(+q(1)*q(3)+q(2)*q(4), q(1)*q(2)-q(3)*q(4)) @@ -1684,7 +1684,7 @@ pure function math_qToAxisAngle(Q) real(pReal) :: halfAngle, sinHalfAngle real(pReal), dimension(4) :: math_qToAxisAngle - halfAngle = acos(math_limit(Q(1),-1.0_pReal,1.0_pReal)) + halfAngle = acos(math_clip(Q(1),-1.0_pReal,1.0_pReal)) sinHalfAngle = sin(halfAngle) smallRotation: if (sinHalfAngle <= 1.0e-4_pReal) then @@ -1744,7 +1744,7 @@ real(pReal) pure function math_EulerMisorientation(EulerA,EulerB) cosTheta = (math_trace33(math_mul33x33(math_EulerToR(EulerB), & transpose(math_EulerToR(EulerA)))) - 1.0_pReal) * 0.5_pReal - math_EulerMisorientation = acos(math_limit(cosTheta,-1.0_pReal,1.0_pReal)) + math_EulerMisorientation = acos(math_clip(cosTheta,-1.0_pReal,1.0_pReal)) end function math_EulerMisorientation @@ -2055,7 +2055,7 @@ function math_eigenvectorBasisSym33(m) EB(3,3,3)=1.0_pReal else threeSimilarEigenvalues rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal - phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) + phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* & [cos(phi/3.0_pReal), & cos((phi+2.0_pReal*PI)/3.0_pReal), & @@ -2120,7 +2120,7 @@ function math_eigenvectorBasisSym33_log(m) EB(3,3,3)=1.0_pReal else threeSimilarEigenvalues rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal - phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) + phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* & [cos(phi/3.0_pReal), & cos((phi+2.0_pReal*PI)/3.0_pReal), & @@ -2232,7 +2232,7 @@ function math_eigenvaluesSym33(m) math_eigenvaluesSym33 = math_eigenvaluesSym(m) else rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal - phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) + phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) math_eigenvaluesSym33 = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* & [cos(phi/3.0_pReal), & cos((phi+2.0_pReal*PI)/3.0_pReal), & @@ -2617,7 +2617,7 @@ end function math_rotate_forward3333 !> @brief limits a scalar value to a certain range (either one or two sided) ! Will return NaN if left > right !-------------------------------------------------------------------------------------------------- -real(pReal) pure function math_limit(a, left, right) +real(pReal) pure function math_clip(a, left, right) use, intrinsic :: & IEEE_arithmetic @@ -2626,14 +2626,14 @@ real(pReal) pure function math_limit(a, left, right) real(pReal), intent(in), optional :: left, right - math_limit = min ( & + math_clip = min ( & max (merge(left, -huge(a), present(left)), a), & merge(right, huge(a), present(right)) & ) if (present(left) .and. present(right)) & - math_limit = merge (IEEE_value(1.0_pReal,IEEE_quiet_NaN),math_limit, left>right) + math_clip = merge (IEEE_value(1.0_pReal,IEEE_quiet_NaN),math_clip, left>right) -end function math_limit +end function math_clip end module math diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 85234ae4f..dd5204424 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -448,50 +448,50 @@ subroutine plastic_dislotwin_init(fileUnit) outputID = undefined_ID select case(outputs(i)) case ('edge_density') - outputID = edge_density_ID + outputID = merge(edge_density_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('dipole_density') - outputID = dipole_density_ID + outputID = merge(dipole_density_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('shear_rate_slip','shearrate_slip') - outputID = shear_rate_slip_ID + outputID = merge(shear_rate_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('accumulated_shear_slip') - outputID = accumulated_shear_slip_ID + outputID = merge(accumulated_shear_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('mfp_slip') - outputID = mfp_slip_ID + outputID = merge(mfp_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('resolved_stress_slip') - outputID = resolved_stress_slip_ID + outputID = merge(resolved_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('threshold_stress_slip') - outputID= threshold_stress_slip_ID + outputID= merge(threshold_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('edge_dipole_distance') - outputID = edge_dipole_distance_ID + outputID = merge(edge_dipole_distance_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('stress_exponent') - outputID = stress_exponent_ID + outputID = merge(stress_exponent_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('twin_fraction') - outputID = twin_fraction_ID + outputID = merge(twin_fraction_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('shear_rate_twin','shearrate_twin') - outputID = shear_rate_twin_ID + outputID = merge(shear_rate_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('accumulated_shear_twin') - outputID = accumulated_shear_twin_ID + outputID = merge(accumulated_shear_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('mfp_twin') - outputID = mfp_twin_ID + outputID = merge(mfp_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('resolved_stress_twin') - outputID = resolved_stress_twin_ID + outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('threshold_stress_twin') - outputID = threshold_stress_twin_ID + outputID = merge(threshold_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('resolved_stress_shearband') @@ -840,54 +840,28 @@ subroutine plastic_dislotwin_init(fileUnit) dst%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac - invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) ! calculation required? Seems to be the same as in microstructure - forall (i = 1_pInt:prm%totalNslip) & - invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ & - math_expand(prm%rhoDip0,prm%Nslip),prm%forestProjectionEdge(1:prm%totalNslip,i)))/ & - prm%CLambdaSlip(i) - mse%invLambdaSlip = spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase) - + dst%whole => plasticState(p)%dotState + allocate(mse%invLambdaSlip(prm%totalNslip,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaSlipTwin(prm%totalNslip,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaTwin(prm%totalNtwin,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaSlipTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) - MeanFreePathSlip0 = prm%GrainSize/(1.0_pReal+invLambdaSlip0*prm%GrainSize) - mse%mfp_slip = spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) - - MeanFreePathTwin0 = spread(prm%GrainSize,1,prm%totalNtwin) - mse%mfp_twin = spread(math_expand(MeanFreePathTwin0,prm%Ntwin),2, NofMyPhase) - - MeanFreePathTrans0 = spread(prm%GrainSize,1,prm%totalNtrans) - mse%mfp_trans = spread(math_expand(MeanFreePathTrans0,prm%Ntrans),2, NofMyPhase) - - tauSlipThreshold0 = spread(0.0_pReal,1,prm%totalNslip) - forall (i = 1_pInt:prm%totalNslip) tauSlipThreshold0(i) = & - prm%mu*prm%burgers_slip(i) * sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,prm%Nslip),& - prm%interaction_SlipSlip(i,1:prm%totalNslip))) - mse%threshold_stress_slip = spread(math_expand(tauSlipThreshold0,prm%Nslip),2, NofMyPhase) + allocate(mse%mfp_slip(prm%totalNslip,NofMyPhase), source=0.0_pReal) + allocate(mse%mfp_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) + allocate(mse%mfp_trans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) + allocate(mse%threshold_stress_slip(prm%totalNslip,NofMyPhase), source=0.0_pReal) allocate(mse%threshold_stress_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) allocate(mse%threshold_stress_trans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) - TwinVolume0= spread(0.0_pReal,1,prm%totalNtwin) - forall (i = 1_pInt:prm%totalNtwin) TwinVolume0(i) = & - (PI/4.0_pReal)*prm%twinsize(i)*MeanFreePathTwin0(i)**2.0_pReal - mse%twinVolume = & - spread(math_expand(TwinVolume0,prm%Ntwin),2, NofMyPhase) - - MartensiteVolume0= spread(0.0_pReal,1,prm%totalNtrans) - forall (i = 1_pInt:prm%totalNtrans) MartensiteVolume0(i) = & - (PI/4.0_pReal)*prm%lamellarsizePerTransSystem(i)*MeanFreePathTrans0(i)**2.0_pReal - mse%martensiteVolume = & - spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) - - dst%whole => plasticState(p)%dotState - allocate(mse%tau_r_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) allocate(mse%tau_r_trans(prm%totalNtrans,NofMyPhase), source=0.0_pReal) + allocate(mse%twinVolume(prm%totalNtwin,NofMyPhase), source=0.0_pReal) + allocate(mse%martensiteVolume(prm%totalNtrans,NofMyPhase), source=0.0_pReal) + end associate enddo @@ -916,7 +890,6 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) of real(pReal) :: sumf_twin, sumf_trans - !* Shortened notation of = phasememberAt(ipc,ip,el) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))))