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fracture modes are calculated differently

This commit is contained in:
Martin Diehl 2019-03-09 12:48:01 +01:00
parent 7bfd7a42ea
commit f0d03a41ba
1 changed files with 22 additions and 67 deletions
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89
src/lattice.f90
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@ -511,19 +511,6 @@ module lattice
module procedure slipProjection_direction module procedure slipProjection_direction
end interface lattice_forestProjection_screw end interface lattice_forestProjection_screw
interface lattice_slipProjection_modeI
module procedure slipProjection_normal
end interface lattice_slipProjection_modeI
interface lattice_slipProjection_modeII
module procedure slipProjection_direction
end interface lattice_slipProjection_modeII
interface lattice_slipProjection_modeIII
module procedure slipProjection_transverse
end interface lattice_slipProjection_modeIII
public :: & public :: &
lattice_init, & lattice_init, &
lattice_qDisorientation, & lattice_qDisorientation, &
@ -548,9 +535,6 @@ module lattice
lattice_forestProjection, & lattice_forestProjection, &
lattice_forestProjection_edge, & lattice_forestProjection_edge, &
lattice_forestProjection_screw, & lattice_forestProjection_screw, &
lattice_slipProjection_modeI, &
lattice_slipProjection_modeII, &
lattice_slipProjection_modeIII, &
lattice_slip_normal, & lattice_slip_normal, &
lattice_slip_direction, & lattice_slip_direction, &
lattice_slip_transverse lattice_slip_transverse
@ -689,7 +673,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
math_mul33x33, & math_mul33x33, &
math_sym3333to66, & math_sym3333to66, &
math_Voigt66to3333, & math_Voigt66to3333, &
math_crossproduct math_cross
use IO, only: & use IO, only: &
IO_error IO_error
@ -830,7 +814,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure
lattice_sd(1:3,i,myPhase) = sd(1:3,i)/norm2(sd(1:3,i)) ! make unit vector lattice_sd(1:3,i,myPhase) = sd(1:3,i)/norm2(sd(1:3,i)) ! make unit vector
lattice_sn(1:3,i,myPhase) = sn(1:3,i)/norm2(sn(1:3,i)) ! make unit vector lattice_sn(1:3,i,myPhase) = sn(1:3,i)/norm2(sn(1:3,i)) ! make unit vector
lattice_st(1:3,i,myPhase) = math_crossproduct(lattice_sd(1:3,i,myPhase),lattice_sn(1:3,i,myPhase)) lattice_st(1:3,i,myPhase) = math_cross(lattice_sd(1:3,i,myPhase),lattice_sn(1:3,i,myPhase))
enddo enddo
end subroutine lattice_initializeStructure end subroutine lattice_initializeStructure
@ -1172,7 +1156,7 @@ function lattice_C66_twin(Ntwin,C66,structure,CoverA)
use IO, only: & use IO, only: &
IO_error IO_error
use math, only: & use math, only: &
INRAD, & PI, &
math_axisAngleToR, & math_axisAngleToR, &
math_sym3333to66, & math_sym3333to66, &
math_66toSym3333, & math_66toSym3333, &
@ -1208,7 +1192,7 @@ function lattice_C66_twin(Ntwin,C66,structure,CoverA)
end select end select
do i = 1, sum(Ntwin) do i = 1, sum(Ntwin)
R = math_axisAngleToR(coordinateSystem(1:3,2,i), 180.0_pReal * INRAD) ! ToDo: Why always 180 deg? R = math_axisAngleToR(coordinateSystem(1:3,2,i), PI) ! ToDo: Why always 180 deg?
lattice_C66_twin(1:6,1:6,i) = math_sym3333to66(math_rotate_forward3333(math_66toSym3333(C66),R)) lattice_C66_twin(1:6,1:6,i) = math_sym3333to66(math_rotate_forward3333(math_66toSym3333(C66),R))
enddo enddo
end function lattice_C66_twin end function lattice_C66_twin
@ -1231,9 +1215,7 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
math_sym3333to66, & math_sym3333to66, &
math_66toSym3333, & math_66toSym3333, &
math_rotate_forward3333, & math_rotate_forward3333, &
math_mul33x33, & math_mul33x33
math_tensorproduct33, &
math_crossproduct
implicit none implicit none
integer(pInt), dimension(:), intent(in) :: Ntrans !< number of active twin systems per family integer(pInt), dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
@ -1299,8 +1281,8 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
IO_error IO_error
use math, only: & use math, only: &
INRAD, & INRAD, &
math_tensorproduct33, & math_outer, &
math_crossproduct, & math_cross, &
math_mul33x3, & math_mul33x3, &
math_axisAngleToR math_axisAngleToR
implicit none implicit none
@ -1326,18 +1308,18 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
normal = coordinateSystem(1:3,2,i) normal = coordinateSystem(1:3,2,i)
np = math_mul33x3(math_axisAngleToR(direction,60.0_pReal*INRAD), normal) np = math_mul33x3(math_axisAngleToR(direction,60.0_pReal*INRAD), normal)
if (size(nonSchmidCoefficients)>0) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) & if (size(nonSchmidCoefficients)>0) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(1) * math_tensorproduct33(direction, np) + nonSchmidCoefficients(1) * math_outer(direction, np)
if (size(nonSchmidCoefficients)>1) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) & if (size(nonSchmidCoefficients)>1) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(2) * math_tensorproduct33(math_crossproduct(normal, direction), normal) + nonSchmidCoefficients(2) * math_outer(math_cross(normal, direction), normal)
if (size(nonSchmidCoefficients)>2) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) & if (size(nonSchmidCoefficients)>2) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(3) * math_tensorproduct33(math_crossproduct(np, direction), np) + nonSchmidCoefficients(3) * math_outer(math_cross(np, direction), np)
if (size(nonSchmidCoefficients)>3) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) & if (size(nonSchmidCoefficients)>3) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(4) * math_tensorproduct33(normal, normal) + nonSchmidCoefficients(4) * math_outer(normal, normal)
if (size(nonSchmidCoefficients)>4) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) & if (size(nonSchmidCoefficients)>4) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(5) * math_tensorproduct33(math_crossproduct(normal, direction), & + nonSchmidCoefficients(5) * math_outer(math_cross(normal, direction), &
math_crossproduct(normal, direction)) math_cross(normal, direction))
if (size(nonSchmidCoefficients)>5) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) & if (size(nonSchmidCoefficients)>5) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(6) * math_tensorproduct33(direction, direction) + nonSchmidCoefficients(6) * math_outer(direction, direction)
enddo enddo
end function lattice_nonSchmidMatrix end function lattice_nonSchmidMatrix
@ -2274,8 +2256,7 @@ end function lattice_slip_transverse
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Projection of the transverse direction onto the slip plane !> @brief Projection of the transverse direction onto the slip plane
!> @details: This projection is used to calculate forest hardening for edge dislocations and for !> @details: This projection is used to calculate forest hardening for edge dislocations
! mode III failure (ToDo: MD I am not 100% sure about mode III)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function slipProjection_transverse(Nslip,structure,cOverA) result(projection) function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
use math, only: & use math, only: &
@ -2301,8 +2282,7 @@ end function slipProjection_transverse
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Projection of the slip direction onto the slip plane !> @brief Projection of the slip direction onto the slip plane
!> @details: This projection is used to calculate forest hardening for screw dislocations and for !> @details: This projection is used to calculate forest hardening for screw dislocations
! mode II failure (ToDo: MD I am not 100% sure about mode II)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function slipProjection_direction(Nslip,structure,cOverA) result(projection) function slipProjection_direction(Nslip,structure,cOverA) result(projection)
use math, only: & use math, only: &
@ -2326,32 +2306,6 @@ function slipProjection_direction(Nslip,structure,cOverA) result(projection)
end function slipProjection_direction end function slipProjection_direction
!--------------------------------------------------------------------------------------------------
!> @brief Projection of the slip plane onto itself
!> @details: This projection is used for mode I failure
!--------------------------------------------------------------------------------------------------
function slipProjection_normal(Nslip,structure,cOverA) result(projection)
use math, only: &
math_mul3x3
implicit none
integer(pInt), dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
integer(pInt) :: i, j
coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
do i=1_pInt, sum(Nslip); do j=1_pInt, sum(Nslip)
projection(i,j) = abs(math_mul3x3(coordinateSystem(1:3,2,i),coordinateSystem(1:3,2,j)))
enddo; enddo
end function slipProjection_normal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief build a local coordinate system on slip systems !> @brief build a local coordinate system on slip systems
!> @details Order: Direction, plane (normal), and common perpendicular !> @details Order: Direction, plane (normal), and common perpendicular
@ -2406,6 +2360,7 @@ end function coordinateSystem_slip
function buildInteraction(activeA,activeB,maxA,maxB,values,matrix) function buildInteraction(activeA,activeB,maxA,maxB,values,matrix)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none implicit none
integer(pInt), dimension(:), intent(in) :: & integer(pInt), dimension(:), intent(in) :: &
activeA, & !< number of active systems as specified in material.config activeA, & !< number of active systems as specified in material.config
@ -2446,7 +2401,7 @@ function buildCoordinateSystem(active,complete,system,structure,cOverA)
use IO, only: & use IO, only: &
IO_error IO_error
use math, only: & use math, only: &
math_crossproduct math_cross
implicit none implicit none
integer(pInt), dimension(:), intent(in) :: & integer(pInt), dimension(:), intent(in) :: &
@ -2503,8 +2458,8 @@ function buildCoordinateSystem(active,complete,system,structure,cOverA)
buildCoordinateSystem(1:3,1,a) = direction/norm2(direction) buildCoordinateSystem(1:3,1,a) = direction/norm2(direction)
buildCoordinateSystem(1:3,2,a) = normal/norm2(normal) buildCoordinateSystem(1:3,2,a) = normal/norm2(normal)
buildCoordinateSystem(1:3,3,a) = math_crossproduct(buildCoordinateSystem(1:3,1,a),& buildCoordinateSystem(1:3,3,a) = math_cross(buildCoordinateSystem(1:3,1,a),&
buildCoordinateSystem(1:3,2,a)) buildCoordinateSystem(1:3,2,a))
enddo activeSystems enddo activeSystems
enddo activeFamilies enddo activeFamilies
@ -2522,7 +2477,7 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
use prec, only: & use prec, only: &
dEq0 dEq0
use math, only: & use math, only: &
math_crossproduct, & math_cross, &
math_tensorproduct33, & math_tensorproduct33, &
math_mul33x33, & math_mul33x33, &
math_mul33x3, & math_mul33x3, &
@ -2643,7 +2598,7 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
do i = 1_pInt,sum(Ntrans) do i = 1_pInt,sum(Ntrans)
x = lattice_fccTohex_systemTrans(1:3,i)/norm2(lattice_fccTohex_systemTrans(1:3,i)) x = lattice_fccTohex_systemTrans(1:3,i)/norm2(lattice_fccTohex_systemTrans(1:3,i))
z = lattice_fccTohex_systemTrans(4:6,i)/norm2(lattice_fccTohex_systemTrans(4:6,i)) z = lattice_fccTohex_systemTrans(4:6,i)/norm2(lattice_fccTohex_systemTrans(4:6,i))
y = -math_crossproduct(x,z) y = -math_cross(x,z)
Q(1:3,1,i) = x Q(1:3,1,i) = x
Q(1:3,2,i) = y Q(1:3,2,i) = y
Q(1:3,3,i) = z Q(1:3,3,i) = z