corrected buggy calculation of Schmid matrix for twins introduced in rev1809.
(stress acting on twin systems was overestimated by factor of sqrt(3) due to that!!) additional polishing.
This commit is contained in:
Philip Eisenlohr
parent
11ed7fab86
commit
1e32eb560e
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@ -171,7 +171,7 @@ module lattice
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!< Interaction types
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!< Interaction types
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!< 1 --- self interaction
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!< 1 --- self interaction
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!< 2 --- coplanar interaction
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!< 2 --- coplanar interaction
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!< 3 --- colinear interaction
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!< 3 --- collinear interaction
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!< 4 --- Hirth locks
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!< 4 --- Hirth locks
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!< 5 --- glissile junctions
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!< 5 --- glissile junctions
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!< 6 --- Lomer locks
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!< 6 --- Lomer locks
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@ -193,8 +193,8 @@ module lattice
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],pInt),[lattice_fcc_Nslip,lattice_fcc_Ntwin],order=[2,1])
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],pInt),[lattice_fcc_Nslip,lattice_fcc_Ntwin],order=[2,1])
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!< Interaction types
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!< Interaction types
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!< 1 --- coplanar interaction
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!< 1 --- coplanar interaction
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!< 2 --- colinear interaction
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!< 2 --- screw trace between slip system and twin habit plane (easy cross slip)
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!< 3 --- hardened interaction
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!< 3 --- other interaction
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integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), target, private :: &
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integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), target, private :: &
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lattice_fcc_interactionTwinSlip = 0_pInt
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lattice_fcc_interactionTwinSlip = 0_pInt
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@ -226,10 +226,10 @@ module lattice
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lattice_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt)
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lattice_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt)
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integer(pInt), parameter, private :: &
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integer(pInt), parameter, private :: &
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lattice_bcc_Nslip = 24_pInt ! sum(lattice_bcc_NslipSystem)
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lattice_bcc_Nslip = 24_pInt ! sum(lattice_bcc_NslipSystem)
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integer(pInt), parameter, private :: &
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integer(pInt), parameter, private :: &
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lattice_bcc_Ntwin = 12_pInt ! sum(lattice_bcc_NtwinSystem)
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lattice_bcc_Ntwin = 12_pInt ! sum(lattice_bcc_NtwinSystem)
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integer(pInt), private :: &
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integer(pInt), private :: &
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lattice_bcc_Nstructure = 0_pInt
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lattice_bcc_Nstructure = 0_pInt
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@ -322,33 +322,34 @@ module lattice
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0.7071067812_pReal &
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0.7071067812_pReal &
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],[lattice_bcc_Ntwin])
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],[lattice_bcc_Ntwin])
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!> slip--slip interactions for BCC structures (2) from Lee et-al. Int J of Plast. (v15) 1999 pp. 625-645
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! slip--slip interactions for BCC structures (2) from Lee et al. Int J Plast 15 (1999) 625-645
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integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), target, private :: &
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integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), target, private :: &
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lattice_bcc_interactionSlipSlip = reshape(int( [&
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lattice_bcc_interactionSlipSlip = reshape(int( [&
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1,3,6,6,5,4,4,2,4,2,5,4,6,6,4,2,2,4,6,6,4,2,6,6, & ! ---> slip
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1,3,6,6,5,4,4,2,4,2,5,4, 6,6,4,2,2,4,6,6,4,2,6,6, & ! ---> slip
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3,1,6,6,4,2,5,4,5,4,4,2,6,6,2,4,4,2,6,6,2,4,6,6, & ! |
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3,1,6,6,4,2,5,4,5,4,4,2, 6,6,2,4,4,2,6,6,2,4,6,6, & ! |
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6,6,1,3,4,5,2,4,4,5,2,4,4,2,6,6,6,6,2,4,6,6,4,2, & ! |
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6,6,1,3,4,5,2,4,4,5,2,4, 4,2,6,6,6,6,2,4,6,6,4,2, & ! |
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6,6,3,1,2,4,4,5,2,4,4,5,2,4,6,6,6,6,4,2,6,6,2,4, & ! v slip
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6,6,3,1,2,4,4,5,2,4,4,5, 2,4,6,6,6,6,4,2,6,6,2,4, & ! v slip
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5,4,4,2,1,3,6,6,2,4,5,4,2,6,4,6,6,4,6,2,4,6,2,6, &
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5,4,4,2,1,3,6,6,2,4,5,4, 2,6,4,6,6,4,6,2,4,6,2,6, &
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4,2,5,4,3,1,6,6,4,5,4,2,4,6,2,6,6,2,6,4,2,6,4,6, &
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4,2,5,4,3,1,6,6,4,5,4,2, 4,6,2,6,6,2,6,4,2,6,4,6, &
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4,5,2,4,6,6,1,3,5,4,2,4,6,2,6,4,4,6,2,6,6,4,6,2, &
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4,5,2,4,6,6,1,3,5,4,2,4, 6,2,6,4,4,6,2,6,6,4,6,2, &
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2,4,4,5,6,6,3,1,4,2,4,5,6,4,6,2,2,6,4,6,6,2,6,4, &
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2,4,4,5,6,6,3,1,4,2,4,5, 6,4,6,2,2,6,4,6,6,2,6,4, &
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4,5,4,2,2,4,5,4,1,3,6,6,2,6,6,4,4,6,6,2,6,4,2,6, &
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4,5,4,2,2,4,5,4,1,3,6,6, 2,6,6,4,4,6,6,2,6,4,2,6, &
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2,4,5,4,4,5,4,2,3,1,6,6,4,6,6,2,2,6,6,4,6,2,4,6, &
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2,4,5,4,4,5,4,2,3,1,6,6, 4,6,6,2,2,6,6,4,6,2,4,6, &
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5,4,2,4,5,4,2,4,6,6,1,3,6,2,4,6,6,4,2,6,4,6,6,2, &
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5,4,2,4,5,4,2,4,6,6,1,3, 6,2,4,6,6,4,2,6,4,6,6,2, &
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4,2,4,5,4,2,4,5,6,6,3,1,6,4,2,6,6,2,4,6,2,6,6,4, &
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4,2,4,5,4,2,4,5,6,6,3,1, 6,4,2,6,6,2,4,6,2,6,6,4, &
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6,6,4,2,2,4,6,6,2,4,6,6,1,5,6,6,5,6,6,2,5,6,2,6, &
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!
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6,6,2,4,6,6,2,4,6,6,2,4,5,1,6,6,6,5,2,6,6,5,6,2, &
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6,6,4,2,2,4,6,6,2,4,6,6, 1,5,6,6,5,6,6,2,5,6,2,6, &
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4,2,6,6,4,2,6,6,6,6,4,2,6,6,1,5,6,2,5,6,2,6,5,6, &
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6,6,2,4,6,6,2,4,6,6,2,4, 5,1,6,6,6,5,2,6,6,5,6,2, &
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2,4,6,6,6,6,4,2,4,2,6,6,6,6,5,1,2,6,6,5,6,2,6,5, &
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4,2,6,6,4,2,6,6,6,6,4,2, 6,6,1,5,6,2,5,6,2,6,5,6, &
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2,4,6,6,6,6,4,2,4,2,6,6,5,6,6,2,1,6,5,6,5,2,6,6, &
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2,4,6,6,6,6,4,2,4,2,6,6, 6,6,5,1,2,6,6,5,6,2,6,5, &
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4,2,6,6,4,2,6,6,6,6,4,2,6,5,2,6,6,1,6,5,2,5,6,6, &
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2,4,6,6,6,6,4,2,4,2,6,6, 5,6,6,2,1,6,5,6,5,2,6,6, &
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6,6,2,4,6,6,2,4,6,6,2,4,6,2,5,6,5,6,1,6,6,6,5,2, &
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4,2,6,6,4,2,6,6,6,6,4,2, 6,5,2,6,6,1,6,5,2,5,6,6, &
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6,6,4,2,2,4,6,6,2,4,6,6,2,6,6,5,6,5,6,1,6,6,2,5, &
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6,6,2,4,6,6,2,4,6,6,2,4, 6,2,5,6,5,6,1,6,6,6,5,2, &
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4,2,6,6,4,2,6,6,6,6,4,2,5,6,2,6,5,2,6,6,1,6,6,5, &
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6,6,4,2,2,4,6,6,2,4,6,6, 2,6,6,5,6,5,6,1,6,6,2,5, &
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2,4,6,6,6,6,4,2,4,2,6,6,6,5,6,2,2,5,6,6,6,1,5,6, &
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4,2,6,6,4,2,6,6,6,6,4,2, 5,6,2,6,5,2,6,6,1,6,6,5, &
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6,6,4,2,2,4,6,6,2,4,6,6,2,6,5,6,6,6,5,2,6,5,1,6, &
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2,4,6,6,6,6,4,2,4,2,6,6, 6,5,6,2,2,5,6,6,6,1,5,6, &
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6,6,2,4,6,6,2,4,6,6,2,4,6,2,6,5,6,6,2,5,5,6,6,1 &
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6,6,4,2,2,4,6,6,2,4,6,6, 2,6,5,6,6,6,5,2,6,5,1,6, &
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6,6,2,4,6,6,2,4,6,6,2,4, 6,2,6,5,6,6,2,5,5,6,6,1 &
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],pInt),[lattice_bcc_Nslip,lattice_bcc_Nslip],order=[2,1])
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],pInt),[lattice_bcc_Nslip,lattice_bcc_Nslip],order=[2,1])
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!< Interaction types
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!< Interaction types
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!< 1 --- self interaction
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!< 1 --- self interaction
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@ -372,6 +373,7 @@ module lattice
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3,3,3,2,2,3,3,3,3,2,3,3, &
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3,3,3,2,2,3,3,3,3,2,3,3, &
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3,2,3,3,3,3,2,3,3,3,3,2, &
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3,2,3,3,3,3,2,3,3,3,3,2, &
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3,3,2,3,3,2,3,3,2,3,3,3, &
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3,3,2,3,3,2,3,3,2,3,3,3, &
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!
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1,3,3,3,3,3,3,2,3,3,2,3, &
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1,3,3,3,3,3,3,2,3,3,2,3, &
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3,1,3,3,3,3,2,3,3,3,3,2, &
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3,1,3,3,3,3,2,3,3,3,3,2, &
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3,3,1,3,3,2,3,3,2,3,3,3, &
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3,3,1,3,3,2,3,3,2,3,3,3, &
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@ -387,14 +389,14 @@ module lattice
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],pInt),[lattice_bcc_Nslip,lattice_bcc_Ntwin],order=[2,1])
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],pInt),[lattice_bcc_Nslip,lattice_bcc_Ntwin],order=[2,1])
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!< Interaction types
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!< Interaction types
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!< 1 --- coplanar interaction
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!< 1 --- coplanar interaction
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!< 2 --- colinear interaction
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!< 2 --- screw trace between slip system and twin habit plane (easy cross slip)
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!< 3 --- hardened interaction
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!< 3 --- other interaction
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!>twin--slip interactions for BCC structures (2) MISSING: not implemented yet
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! twin--slip interactions for BCC structures (2) MISSING: not implemented yet
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integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, private :: &
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integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, private :: &
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lattice_bcc_interactionTwinSlip = 0_pInt
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lattice_bcc_interactionTwinSlip = 0_pInt
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!> twin-twin interactions for BCC structures (2) MISSING: not implemented yet
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! twin--twin interactions for BCC structures (2)
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integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, private :: &
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integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, private :: &
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lattice_bcc_interactionTwinTwin = reshape(int( [&
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lattice_bcc_interactionTwinTwin = reshape(int( [&
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1,3,3,3,3,3,3,2,3,3,2,3, & ! ---> twin
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1,3,3,3,3,3,3,2,3,3,2,3, & ! ---> twin
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@ -412,13 +414,14 @@ module lattice
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],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin],order=[2,1])
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],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin],order=[2,1])
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!< Interaction types
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!< Interaction types
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!< 1 --- self interaction
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!< 1 --- self interaction
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!< 2 --- coplinear interaction
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!< 2 --- collinear interaction
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!< 3 --- hardened interaction
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!< 3 --- other interaction
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! hex (3+)
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! hex (3+)
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integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
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integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
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lattice_hex_NslipSystem = int([ 3, 3, 6,12, 6],pInt)
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lattice_hex_NslipSystem = int([ 3, 3, 6, 12, 6],pInt)
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integer(pInt), dimension(lattice_maxNtwinFamily), parameter, private :: &
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integer(pInt), dimension(lattice_maxNtwinFamily), parameter, private :: &
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lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt)
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lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt)
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@ -916,20 +919,20 @@ integer(pInt) function lattice_initializeStructure(struct,CoverA)
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lattice_Sslip(1:3,1:3,i,myStructure) = math_tensorproduct(lattice_sd(1:3,i,myStructure), &
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lattice_Sslip(1:3,1:3,i,myStructure) = math_tensorproduct(lattice_sd(1:3,i,myStructure), &
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lattice_sn(1:3,i,myStructure))
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lattice_sn(1:3,i,myStructure))
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lattice_Sslip_v(1:6,i,myStructure) = math_Mandel33to6(math_symmetric33(lattice_Sslip(1:3,1:3,i,myStructure)))
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lattice_Sslip_v(1:6,i,myStructure) = math_Mandel33to6(math_symmetric33(lattice_Sslip(1:3,1:3,i,myStructure)))
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if (abs(math_trace33(lattice_Sslip(1:3,1:3,i,myStructure))) > 1.0e-8) &
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if (abs(math_trace33(lattice_Sslip(1:3,1:3,i,myStructure))) > 1.0e-8_pReal) &
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call IO_error(0_pInt,myStructure,i,0_pInt,ext_msg = 'dilatational slip Schmid matrix')
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call IO_error(0_pInt,myStructure,i,0_pInt,ext_msg = 'dilatational slip Schmid matrix')
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enddo
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enddo
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do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
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do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
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lattice_td(1:3,i,myStructure) = td(1:3,i)/math_norm3(sd(1:3,i)) ! make unit vector
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lattice_td(1:3,i,myStructure) = td(1:3,i)/math_norm3(td(1:3,i)) ! make unit vector
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lattice_tn(1:3,i,myStructure) = tn(1:3,i)/math_norm3(sn(1:3,i)) ! make unit vector
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lattice_tn(1:3,i,myStructure) = tn(1:3,i)/math_norm3(tn(1:3,i)) ! make unit vector
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lattice_tt(1:3,i,myStructure) = math_vectorproduct(lattice_td(1:3,i,myStructure), &
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lattice_tt(1:3,i,myStructure) = math_vectorproduct(lattice_td(1:3,i,myStructure), &
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lattice_tn(1:3,i,myStructure))
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lattice_tn(1:3,i,myStructure))
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lattice_Stwin(1:3,1:3,i,myStructure) = math_tensorproduct(lattice_td(1:3,i,myStructure), &
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lattice_Stwin(1:3,1:3,i,myStructure) = math_tensorproduct(lattice_td(1:3,i,myStructure), &
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lattice_tn(1:3,i,myStructure))
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lattice_tn(1:3,i,myStructure))
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lattice_Stwin_v(1:6,i,myStructure) = math_Mandel33to6(math_symmetric33(lattice_Stwin(1:3,1:3,i,myStructure)))
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lattice_Stwin_v(1:6,i,myStructure) = math_Mandel33to6(math_symmetric33(lattice_Stwin(1:3,1:3,i,myStructure)))
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lattice_Qtwin(1:3,1:3,i,myStructure) = math_AxisAngleToR(tn(1:3,i),180.0_pReal*INRAD)
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lattice_Qtwin(1:3,1:3,i,myStructure) = math_AxisAngleToR(tn(1:3,i),180.0_pReal*INRAD)
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lattice_shearTwin(i,myStructure) = ts(i)
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lattice_shearTwin(i,myStructure) = ts(i)
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if (abs(math_trace33(lattice_Stwin(1:3,1:3,i,myStructure))) > 1.0e-8) &
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if (abs(math_trace33(lattice_Stwin(1:3,1:3,i,myStructure))) > 1.0e-8_pReal) &
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call IO_error(0_pInt,myStructure,i,0_pInt,ext_msg = 'dilatational twin Schmid matrix')
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call IO_error(0_pInt,myStructure,i,0_pInt,ext_msg = 'dilatational twin Schmid matrix')
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enddo
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enddo
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lattice_NslipSystem(1:lattice_maxNslipFamily,myStructure) = myNslipSystem ! number of slip systems in each family
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lattice_NslipSystem(1:lattice_maxNslipFamily,myStructure) = myNslipSystem ! number of slip systems in each family
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@ -1580,7 +1580,7 @@ pure function math_AxisAngleToR(axis,omega)
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norm = sqrt(math_mul3x3(axis,axis))
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norm = sqrt(math_mul3x3(axis,axis))
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if (norm > 1.0e-8_pReal) then ! non-zero rotation
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if (norm > 1.0e-8_pReal) then ! non-zero rotation
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forall (i=1_pInt:3_pInt) axisNrm(i) = axis(i)/norm ! normalize axis to be sure
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axisNrm = axis/norm ! normalize axis to be sure
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s = sin(omega)
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s = sin(omega)
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c = cos(omega)
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c = cos(omega)
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@ -1624,10 +1624,10 @@ pure function math_AxisAngleToQuaternion(axis,omega)
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norm = sqrt(math_mul3x3(axis,axis))
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norm = sqrt(math_mul3x3(axis,axis))
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if (norm > 1.0e-8_pReal) then ! non-zero rotation
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if (norm > 1.0e-8_pReal) then ! non-zero rotation
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forall (i=1_pInt:3_pInt) axisNrm(i) = axis(i)/norm ! normalize axis to be sure
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axisNrm = axis/norm ! normalize axis to be sure
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! formula taken from http://en.wikipedia.org/wiki/Rotation_representation_%28mathematics%29#Rodrigues_parameters
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! formula taken from http://en.wikipedia.org/wiki/Rotation_representation_%28mathematics%29#Rodrigues_parameters
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s = sin(omega/2.0_pReal)
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s = sin(0.5_pReal*omega)
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c = cos(omega/2.0_pReal)
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c = cos(0.5_pReal*omega)
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math_AxisAngleToQuaternion(1) = c
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math_AxisAngleToQuaternion(1) = c
|
||||||
math_AxisAngleToQuaternion(2:4) = s * axisNrm(1:3)
|
math_AxisAngleToQuaternion(2:4) = s * axisNrm(1:3)
|
||||||
else
|
else
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue