fracture modes are calculated differently
This commit is contained in:
Martin Diehl
parent
7bfd7a42ea
commit
f0d03a41ba
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@ -511,19 +511,6 @@ module lattice
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module procedure slipProjection_direction
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end interface lattice_forestProjection_screw
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interface lattice_slipProjection_modeI
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module procedure slipProjection_normal
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end interface lattice_slipProjection_modeI
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interface lattice_slipProjection_modeII
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module procedure slipProjection_direction
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end interface lattice_slipProjection_modeII
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interface lattice_slipProjection_modeIII
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module procedure slipProjection_transverse
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end interface lattice_slipProjection_modeIII
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public :: &
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lattice_init, &
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lattice_qDisorientation, &
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@ -548,9 +535,6 @@ module lattice
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lattice_forestProjection, &
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lattice_forestProjection_edge, &
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lattice_forestProjection_screw, &
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lattice_slipProjection_modeI, &
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lattice_slipProjection_modeII, &
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lattice_slipProjection_modeIII, &
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lattice_slip_normal, &
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lattice_slip_direction, &
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lattice_slip_transverse
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@ -689,7 +673,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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math_mul33x33, &
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math_sym3333to66, &
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math_Voigt66to3333, &
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math_crossproduct
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math_cross
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use IO, only: &
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IO_error
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@ -830,7 +814,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure
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lattice_sd(1:3,i,myPhase) = sd(1:3,i)/norm2(sd(1:3,i)) ! make unit vector
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lattice_sn(1:3,i,myPhase) = sn(1:3,i)/norm2(sn(1:3,i)) ! make unit vector
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lattice_st(1:3,i,myPhase) = math_crossproduct(lattice_sd(1:3,i,myPhase),lattice_sn(1:3,i,myPhase))
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lattice_st(1:3,i,myPhase) = math_cross(lattice_sd(1:3,i,myPhase),lattice_sn(1:3,i,myPhase))
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enddo
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end subroutine lattice_initializeStructure
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@ -1172,7 +1156,7 @@ function lattice_C66_twin(Ntwin,C66,structure,CoverA)
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use IO, only: &
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IO_error
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use math, only: &
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INRAD, &
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PI, &
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math_axisAngleToR, &
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math_sym3333to66, &
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math_66toSym3333, &
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@ -1208,7 +1192,7 @@ function lattice_C66_twin(Ntwin,C66,structure,CoverA)
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end select
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do i = 1, sum(Ntwin)
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R = math_axisAngleToR(coordinateSystem(1:3,2,i), 180.0_pReal * INRAD) ! ToDo: Why always 180 deg?
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R = math_axisAngleToR(coordinateSystem(1:3,2,i), PI) ! ToDo: Why always 180 deg?
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lattice_C66_twin(1:6,1:6,i) = math_sym3333to66(math_rotate_forward3333(math_66toSym3333(C66),R))
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enddo
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end function lattice_C66_twin
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@ -1231,9 +1215,7 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
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math_sym3333to66, &
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math_66toSym3333, &
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math_rotate_forward3333, &
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math_mul33x33, &
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math_tensorproduct33, &
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math_crossproduct
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math_mul33x33
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implicit none
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integer(pInt), dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
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@ -1299,8 +1281,8 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
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IO_error
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use math, only: &
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INRAD, &
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math_tensorproduct33, &
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math_crossproduct, &
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math_outer, &
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math_cross, &
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math_mul33x3, &
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math_axisAngleToR
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implicit none
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@ -1326,18 +1308,18 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
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normal = coordinateSystem(1:3,2,i)
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np = math_mul33x3(math_axisAngleToR(direction,60.0_pReal*INRAD), normal)
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if (size(nonSchmidCoefficients)>0) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
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+ nonSchmidCoefficients(1) * math_tensorproduct33(direction, np)
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+ nonSchmidCoefficients(1) * math_outer(direction, np)
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if (size(nonSchmidCoefficients)>1) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
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+ nonSchmidCoefficients(2) * math_tensorproduct33(math_crossproduct(normal, direction), normal)
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+ nonSchmidCoefficients(2) * math_outer(math_cross(normal, direction), normal)
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if (size(nonSchmidCoefficients)>2) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
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+ nonSchmidCoefficients(3) * math_tensorproduct33(math_crossproduct(np, direction), np)
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+ nonSchmidCoefficients(3) * math_outer(math_cross(np, direction), np)
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if (size(nonSchmidCoefficients)>3) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
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+ nonSchmidCoefficients(4) * math_tensorproduct33(normal, normal)
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+ nonSchmidCoefficients(4) * math_outer(normal, normal)
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if (size(nonSchmidCoefficients)>4) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
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+ nonSchmidCoefficients(5) * math_tensorproduct33(math_crossproduct(normal, direction), &
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math_crossproduct(normal, direction))
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+ nonSchmidCoefficients(5) * math_outer(math_cross(normal, direction), &
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math_cross(normal, direction))
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if (size(nonSchmidCoefficients)>5) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
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+ nonSchmidCoefficients(6) * math_tensorproduct33(direction, direction)
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+ nonSchmidCoefficients(6) * math_outer(direction, direction)
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enddo
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end function lattice_nonSchmidMatrix
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@ -2274,8 +2256,7 @@ end function lattice_slip_transverse
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!--------------------------------------------------------------------------------------------------
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!> @brief Projection of the transverse direction onto the slip plane
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!> @details: This projection is used to calculate forest hardening for edge dislocations and for
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! mode III failure (ToDo: MD I am not 100% sure about mode III)
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!> @details: This projection is used to calculate forest hardening for edge dislocations
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!--------------------------------------------------------------------------------------------------
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function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
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use math, only: &
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@ -2301,8 +2282,7 @@ end function slipProjection_transverse
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!--------------------------------------------------------------------------------------------------
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!> @brief Projection of the slip direction onto the slip plane
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!> @details: This projection is used to calculate forest hardening for screw dislocations and for
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! mode II failure (ToDo: MD I am not 100% sure about mode II)
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!> @details: This projection is used to calculate forest hardening for screw dislocations
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!--------------------------------------------------------------------------------------------------
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function slipProjection_direction(Nslip,structure,cOverA) result(projection)
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use math, only: &
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@ -2326,32 +2306,6 @@ function slipProjection_direction(Nslip,structure,cOverA) result(projection)
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end function slipProjection_direction
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!--------------------------------------------------------------------------------------------------
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!> @brief Projection of the slip plane onto itself
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!> @details: This projection is used for mode I failure
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!--------------------------------------------------------------------------------------------------
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function slipProjection_normal(Nslip,structure,cOverA) result(projection)
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use math, only: &
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math_mul3x3
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implicit none
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integer(pInt), dimension(:), intent(in) :: Nslip !< number of active slip systems per family
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character(len=*), intent(in) :: structure !< lattice structure
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real(pReal), intent(in) :: cOverA !< c/a ratio
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real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
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real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
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integer(pInt) :: i, j
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coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
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do i=1_pInt, sum(Nslip); do j=1_pInt, sum(Nslip)
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projection(i,j) = abs(math_mul3x3(coordinateSystem(1:3,2,i),coordinateSystem(1:3,2,j)))
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enddo; enddo
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end function slipProjection_normal
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!--------------------------------------------------------------------------------------------------
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!> @brief build a local coordinate system on slip systems
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!> @details Order: Direction, plane (normal), and common perpendicular
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@ -2406,6 +2360,7 @@ end function coordinateSystem_slip
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function buildInteraction(activeA,activeB,maxA,maxB,values,matrix)
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use IO, only: &
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IO_error
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implicit none
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integer(pInt), dimension(:), intent(in) :: &
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activeA, & !< number of active systems as specified in material.config
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@ -2446,7 +2401,7 @@ function buildCoordinateSystem(active,complete,system,structure,cOverA)
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use IO, only: &
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IO_error
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use math, only: &
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math_crossproduct
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math_cross
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implicit none
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integer(pInt), dimension(:), intent(in) :: &
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@ -2503,7 +2458,7 @@ function buildCoordinateSystem(active,complete,system,structure,cOverA)
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buildCoordinateSystem(1:3,1,a) = direction/norm2(direction)
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buildCoordinateSystem(1:3,2,a) = normal/norm2(normal)
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buildCoordinateSystem(1:3,3,a) = math_crossproduct(buildCoordinateSystem(1:3,1,a),&
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buildCoordinateSystem(1:3,3,a) = math_cross(buildCoordinateSystem(1:3,1,a),&
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buildCoordinateSystem(1:3,2,a))
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enddo activeSystems
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@ -2522,7 +2477,7 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
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use prec, only: &
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dEq0
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use math, only: &
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math_crossproduct, &
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math_cross, &
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math_tensorproduct33, &
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math_mul33x33, &
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math_mul33x3, &
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@ -2643,7 +2598,7 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
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do i = 1_pInt,sum(Ntrans)
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x = lattice_fccTohex_systemTrans(1:3,i)/norm2(lattice_fccTohex_systemTrans(1:3,i))
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z = lattice_fccTohex_systemTrans(4:6,i)/norm2(lattice_fccTohex_systemTrans(4:6,i))
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y = -math_crossproduct(x,z)
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y = -math_cross(x,z)
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Q(1:3,1,i) = x
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Q(1:3,2,i) = y
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Q(1:3,3,i) = z
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