1421 lines
155 KiB
Fortran
1421 lines
155 KiB
Fortran
! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
|
||
!
|
||
! This file is part of DAMASK,
|
||
! the Düsseldorf Advanced MAterial Simulation Kit.
|
||
!
|
||
! DAMASK is free software: you can redistribute it and/or modify
|
||
! it under the terms of the GNU General Public License as published by
|
||
! the Free Software Foundation, either version 3 of the License, or
|
||
! (at your option) any later version.
|
||
!
|
||
! DAMASK is distributed in the hope that it will be useful,
|
||
! but WITHOUT ANY WARRANTY; without even the implied warranty of
|
||
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
||
! GNU General Public License for more details.
|
||
!
|
||
! You should have received a copy of the GNU General Public License
|
||
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
|
||
!
|
||
! # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
|
||
! * $ I d : c o n s t i t u t i v e _ d i s l o t w i n . f 9 0 8 3 4 2 0 1 1 - 0 4 - 0 4 1 4 : 0 9 : 5 4 Z M P I E \ f . r o t e r s $
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * M o d u l e : C O N S T I T U T I V E *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
|
||
M O D U L E c o n s t i t u t i v e _ d i s l o t w i n
|
||
|
||
! * I n c l u d e o t h e r m o d u l e s
|
||
u s e p r e c , o n l y : p R e a l , p I n t
|
||
i m p l i c i t n o n e
|
||
|
||
! * L i s t s o f s t a t e s a n d p h y s i c a l p a r a m e t e r s
|
||
c h a r a c t e r ( l e n = * ) , p a r a m e t e r : : c o n s t i t u t i v e _ d i s l o t w i n _ l a b e l = ' d i s l o t w i n '
|
||
c h a r a c t e r ( l e n = 1 8 ) , d i m e n s i o n ( 2 ) , p a r a m e t e r : : c o n s t i t u t i v e _ d i s l o t w i n _ l i s t B a s i c S l i p S t a t e s = ( / ' r h o E d g e ' , &
|
||
' r h o E d g e D i p ' / )
|
||
c h a r a c t e r ( l e n = 1 8 ) , d i m e n s i o n ( 1 ) , p a r a m e t e r : : c o n s t i t u t i v e _ d i s l o t w i n _ l i s t B a s i c T w i n S t a t e s = ( / ' t w i n F r a c t i o n ' / )
|
||
c h a r a c t e r ( l e n = 1 8 ) , d i m e n s i o n ( 4 ) , p a r a m e t e r : : c o n s t i t u t i v e _ d i s l o t w i n _ l i s t D e p e n d e n t S l i p S t a t e s = ( / ' i n v L a m b d a S l i p ' , &
|
||
' i n v L a m b d a S l i p T w i n ' , &
|
||
' m e a n F r e e P a t h S l i p ' , &
|
||
' t a u S l i p T h r e s h o l d ' / )
|
||
c h a r a c t e r ( l e n = 1 8 ) , d i m e n s i o n ( 4 ) , p a r a m e t e r : : c o n s t i t u t i v e _ d i s l o t w i n _ l i s t D e p e n d e n t T w i n S t a t e s = ( / ' i n v L a m b d a T w i n ' , &
|
||
' m e a n F r e e P a t h T w i n ' , &
|
||
' t a u T w i n T h r e s h o l d ' , &
|
||
' t w i n V o l u m e ' / )
|
||
r e a l ( p R e a l ) , p a r a m e t e r : : k B = 1 . 3 8 e - 2 3 _ p R e a l ! B o l t z m a n n c o n s t a n t i n J / K e l v i n
|
||
|
||
! * D e f i n i t i o n o f g l o b a l v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , d i m e n s i o n ( : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ s i z e D o t S t a t e , & ! n u m b e r o f d o t S t a t e s
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e S t a t e , & ! t o t a l n u m b e r o f m i c r o s t r u c t u r a l s t a t e v a r i a b l e s
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t s ! c u m u l a t i v e s i z e o f p o s t r e s u l t s
|
||
i n t e g e r ( p I n t ) , d i m e n s i o n ( : , : ) , a l l o c a t a b l e , t a r g e t : : c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t ! s i z e o f e a c h p o s t r e s u l t o u t p u t
|
||
c h a r a c t e r ( l e n = 6 4 ) , d i m e n s i o n ( : , : ) , a l l o c a t a b l e , t a r g e t : : c o n s t i t u t i v e _ d i s l o t w i n _ o u t p u t ! n a m e o f e a c h p o s t r e s u l t o u t p u t
|
||
c h a r a c t e r ( l e n = 3 2 ) , d i m e n s i o n ( : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e N a m e ! n a m e o f t h e l a t t i c e s t r u c t u r e
|
||
i n t e g e r ( p I n t ) , d i m e n s i o n ( : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e , & ! n u m b e r r e p r e s e n t i n g t h e k i n d o f l a t t i c e s t r u c t u r e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p , & ! t o t a l n u m b e r o f a c t i v e s l i p s y s t e m s f o r e a c h i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ! t o t a l n u m b e r o f a c t i v e t w i n s y s t e m s f o r e a c h i n s t a n c e
|
||
i n t e g e r ( p I n t ) , d i m e n s i o n ( : , : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p , & ! n u m b e r o f a c t i v e s l i p s y s t e m s f o r e a c h f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n , & ! n u m b e r o f a c t i v e t w i n s y s t e m s f o r e a c h f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s l i p F a m i l y , & ! l o o k u p t a b l e r e l a t i n g a c t i v e s l i p s y s t e m t o s l i p f a m i l y f o r e a c h i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n F a m i l y , & ! l o o k u p t a b l e r e l a t i n g a c t i v e t w i n s y s t e m t o t w i n f a m i l y f o r e a c h i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e , & ! l o o k u p t a b l e r e l a t i n g a c t i v e s l i p s y s t e m i n d e x t o l a t t i c e s l i p s y s t e m i n d e x f o r e a c h i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n S y s t e m L a t t i c e ! l o o k u p t a b l e r e l a t i n g a c t i v e t w i n s y s t e m i n d e x t o l a t t i c e t w i n s y s t e m i n d e x f o r e a c h i n s t a n c e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ C o v e r A , & ! c / a r a t i o f o r h e x t y p e l a t t i c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 1 1 , & ! C 1 1 e l e m e n t i n e l a s t i c i t y m a t r i x
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 1 2 , & ! C 1 2 e l e m e n t i n e l a s t i c i t y m a t r i x
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 1 3 , & ! C 1 3 e l e m e n t i n e l a s t i c i t y m a t r i x
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 3 3 , & ! C 3 3 e l e m e n t i n e l a s t i c i t y m a t r i x
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 4 4 , & ! C 4 4 e l e m e n t i n e l a s t i c i t y m a t r i x
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G m o d , & ! s h e a r m o d u l u s
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C A t o m i c V o l u m e , & ! a t o m i c v o l u m e i n B u g e r s v e c t o r u n i t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ D 0 , & ! p r e f a c t o r f o r s e l f - d i f f u s i o n c o e f f i c i e n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ Q s d , & ! a c t i v a t i o n e n e r g y f o r d i s l o c a t i o n c l i m b
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e , & ! g r a i n s i z e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p , & ! p - e x p o n e n t i n g l i d e v e l o c i t y
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ q , & ! q - e x p o n e n t i n g l i d e v e l o c i t y
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ M a x T w i n F r a c t i o n , & ! m a x i m u m a l l o w e d t o t a l t w i n v o l u m e f r a c t i o n
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ r , & ! r - e x p o n e n t i n t w i n n u c l e a t i o n r a t e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C E d g e D i p M i n D i s t a n c e , & !
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C m f p t w i n , & !
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C t h r e s h o l d t w i n , & !
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ S o l i d S o l u t i o n S t r e n g t h , & ! S t r e n g t h d u e t o e l e m e n t s i n s o l i d s o l u t i o n
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ L 0 , & ! L e n g t h o f t w i n n u c l e i i n B u r g e r s v e c t o r s
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ a T o l R h o ! a b s o l u t e t o l e r a n c e f o r i n t e g r a t i o n o f d i s l o c a t i o n d e n s i t y
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( : , : , : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ! e l a s t i c i t y m a t r i x i n M a n d e l n o t a t i o n f o r e a c h i n s t a n c e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( : , : , : , : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 6 6 ! t w i n e l a s t i c i t y m a t r i x i n M a n d e l n o t a t i o n f o r e a c h i n s t a n c e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( : , : , : , : , : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 3 3 3 3 ! e l a s t i c i t y m a t r i x f o r e a c h i n s t a n c e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( : , : , : , : , : , : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 3 3 3 3 ! t w i n e l a s t i c i t y m a t r i x f o r e a c h i n s t a n c e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( : , : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e 0 , & ! i n i t i a l e d g e d i s l o c a t i o n d e n s i t y p e r s l i p s y s t e m f o r e a c h f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e D i p 0 , & ! i n i t i a l e d g e d i p o l e d e n s i t y p e r s l i p s y s t e m f o r e a c h f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p F a m i l y , & ! a b s o l u t e l e n g t h o f b u r g e r s v e c t o r [ m ] f o r e a c h s l i p f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m , & ! a b s o l u t e l e n g t h o f b u r g e r s v e c t o r [ m ] f o r e a c h s l i p s y s t e m a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n F a m i l y , & ! a b s o l u t e l e n g t h o f b u r g e r s v e c t o r [ m ] f o r e a c h t w i n f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n S y s t e m , & ! a b s o l u t e l e n g t h o f b u r g e r s v e c t o r [ m ] f o r e a c h t w i n s y s t e m a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p F a m i l y , & ! a c t i v a t i o n e n e r g y f o r g l i d e [ J ] f o r e a c h s l i p f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p S y s t e m , & ! a c t i v a t i o n e n e r g y f o r g l i d e [ J ] f o r e a c h s l i p s y s t e m a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p F a m i l y , & ! d i s l o c a t i o n v e l o c i t y p r e f a c t o r [ m / s ] f o r e a c h f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p S y s t e m , & ! d i s l o c a t i o n v e l o c i t y p r e f a c t o r [ m / s ] f o r e a c h s l i p s y s t e m a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n F a m i l y , & ! t w i n n u c l e a t i o n r a t e [ 1 / m <00> s ] f o r e a c h t w i n f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n S y s t e m , & ! t w i n n u c l e a t i o n r a t e [ 1 / m <00> s ] f o r e a c h t w i n s y s t e m a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n F a m i l y , & ! t w i n t h i c k n e s s [ m ] f o r e a c h t w i n f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n S y s t e m , & ! t w i n t h i c k n e s s [ m ] f o r e a c h t w i n s y s t e m a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p F a m i l y , & ! A d j . p a r a m e t e r f o r d i s t a n c e b e t w e e n 2 f o r e s t d i s l o c a t i o n s f o r e a c h s l i p f a m i l y a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p S y s t e m , & ! A d j . p a r a m e t e r f o r d i s t a n c e b e t w e e n 2 f o r e s t d i s l o c a t i o n s f o r e a c h s l i p s y s t e m a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p S l i p , & ! c o e f f i c i e n t s f o r s l i p - s l i p i n t e r a c t i o n f o r e a c h i n t e r a c t i o n t y p e a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p T w i n , & ! c o e f f i c i e n t s f o r s l i p - t w i n i n t e r a c t i o n f o r e a c h i n t e r a c t i o n t y p e a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n S l i p , & ! c o e f f i c i e n t s f o r t w i n - s l i p i n t e r a c t i o n f o r e a c h i n t e r a c t i o n t y p e a n d i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n T w i n ! c o e f f i c i e n t s f o r t w i n - t w i n i n t e r a c t i o n f o r e a c h i n t e r a c t i o n t y p e a n d i n s t a n c e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( : , : , : ) , a l l o c a t a b l e : : c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p S l i p , & ! i n t e r a c t i o n m a t r i x o f t h e d i f f e r e n t s l i p s y s t e m s f o r e a c h i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p T w i n , & ! i n t e r a c t i o n m a t r i x o f s l i p s y s t e m s w i t h t w i n s y s t e m s f o r e a c h i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x T w i n S l i p , & ! i n t e r a c t i o n m a t r i x o f t w i n s y s t e m s w i t h s l i p s y s t e m s f o r e a c h i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x T w i n T w i n , & ! i n t e r a c t i o n m a t r i x o f t h e d i f f e r e n t t w i n s y s t e m s f o r e a c h i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ f o r e s t P r o j e c t i o n E d g e ! m a t r i x o f f o r e s t p r o j e c t i o n s o f e d g e d i s l o c a t i o n s f o r e a c h i n s t a n c e
|
||
C O N T A I N S
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * - c o n s t i t u t i v e _ d i s l o t w i n _ i n i t
|
||
! * - c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t
|
||
! * - c o n s t i t u t i v e _ d i s l o t w i n _ r e l e v a n t S t a t e
|
||
! * - c o n s t i t u t i v e _ d i s l o t w i n _ h o m o g e n i z e d C
|
||
! * - c o n s t i t u t i v e _ d i s l o t w i n _ m i c r o s t r u c t u r e
|
||
! * - c o n s t i t u t i v e _ d i s l o t w i n _ L p A n d I t s T a n g e n t
|
||
! * - c o n s i s t u t i v e _ d i s l o t w i n _ d o t S t a t e
|
||
! * - c o n s t i t u t i v e _ d i s l o t w i n _ d o t T e m p e r a t u r e
|
||
! * - c o n s i s t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
|
||
s u b r o u t i n e c o n s t i t u t i v e _ d i s l o t w i n _ i n i t ( f i l e )
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * M o d u l e i n i t i a l i z a t i o n *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
u s e p r e c , o n l y : p I n t , p R e a l
|
||
u s e m a t h , o n l y : m a t h _ M a n d e l 3 3 3 3 t o 6 6 , m a t h _ V o i g t 6 6 t o 3 3 3 3 , m a t h _ m u l 3 x 3
|
||
u s e I O
|
||
u s e m a t e r i a l
|
||
u s e l a t t i c e
|
||
|
||
! * I n p u t v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , i n t e n t ( i n ) : : f i l e
|
||
! * L o c a l v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , p a r a m e t e r : : m a x N c h u n k s = 2 1
|
||
i n t e g e r ( p I n t ) , d i m e n s i o n ( 1 + 2 * m a x N c h u n k s ) : : p o s i t i o n s
|
||
i n t e g e r ( p I n t ) s e c t i o n , m a x N i n s t a n c e , f , i , j , k , l , m , n , o , p , q , r , s , s 1 , s 2 , t 1 , t 2 , n s , n t , o u t p u t , m y S i z e , m y S t r u c t u r e , m a x T o t a l N s l i p , m a x T o t a l N t w i n
|
||
c h a r a c t e r ( l e n = 6 4 ) t a g
|
||
c h a r a c t e r ( l e n = 1 0 2 4 ) l i n e
|
||
|
||
! $ O M P C R I T I C A L ( w r i t e 2 o u t )
|
||
w r i t e ( 6 , * )
|
||
w r i t e ( 6 , ' ( a 2 0 , a 2 0 , a 1 2 ) ' ) ' < < < + - c o n s t i t u t i v e _ ' , c o n s t i t u t i v e _ d i s l o t w i n _ l a b e l , ' i n i t - + > > > '
|
||
w r i t e ( 6 , * ) ' $ I d : c o n s t i t u t i v e _ d i s l o t w i n . f 9 0 8 3 4 2 0 1 1 - 0 4 - 0 4 1 4 : 0 9 : 5 4 Z M P I E \ f . r o t e r s $ '
|
||
w r i t e ( 6 , * )
|
||
! $ O M P E N D C R I T I C A L ( w r i t e 2 o u t )
|
||
|
||
m a x N i n s t a n c e = c o u n t ( p h a s e _ c o n s t i t u t i o n = = c o n s t i t u t i v e _ d i s l o t w i n _ l a b e l )
|
||
i f ( m a x N i n s t a n c e = = 0 ) r e t u r n
|
||
|
||
! * S p a c e a l l o c a t i o n f o r g l o b a l v a r i a b l e s
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ s i z e D o t S t a t e ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ s i z e S t a t e ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t s ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t ( m a x v a l ( p h a s e _ N o u t p u t ) , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ o u t p u t ( m a x v a l ( p h a s e _ N o u t p u t ) , m a x N i n s t a n c e ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e D o t S t a t e = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e S t a t e = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t s = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ o u t p u t = ' '
|
||
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e N a m e ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( l a t t i c e _ m a x N s l i p F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( l a t t i c e _ m a x N t w i n F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ s l i p F a m i l y ( l a t t i c e _ m a x N s l i p , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ t w i n F a m i l y ( l a t t i c e _ m a x N t w i n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e ( l a t t i c e _ m a x N s l i p , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ t w i n S y s t e m L a t t i c e ( l a t t i c e _ m a x N t w i n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( m a x N i n s t a n c e ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e N a m e = ' '
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s l i p F a m i l y = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n F a m i l y = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n S y s t e m L a t t i c e = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n = 0 _ p I n t
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C o v e r A ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C 1 1 ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C 1 2 ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C 1 3 ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C 3 3 ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C 4 4 ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ G m o d ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C A t o m i c V o l u m e ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ D 0 ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ Q s d ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ p ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ q ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ M a x T w i n F r a c t i o n ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ r ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C E d g e D i p M i n D i s t a n c e ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C m f p t w i n ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C t h r e s h o l d t w i n ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ S o l i d S o l u t i o n S t r e n g t h ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ L 0 ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ a T o l R h o ( m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 6 , 6 , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 3 3 3 3 ( 3 , 3 , 3 , 3 , m a x N i n s t a n c e ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C o v e r A = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 1 1 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 1 2 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 1 3 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 3 3 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 4 4 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G m o d = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C A t o m i c V o l u m e = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ D 0 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ Q s d = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ q = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ M a x T w i n F r a c t i o n = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ r = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C E d g e D i p M i n D i s t a n c e = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C m f p t w i n = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C t h r e s h o l d t w i n = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ S o l i d S o l u t i o n S t r e n g t h = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ L 0 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ a T o l R h o = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 3 3 3 3 = 0 . 0 _ p R e a l
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e 0 ( l a t t i c e _ m a x N s l i p F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e D i p 0 ( l a t t i c e _ m a x N s l i p F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p F a m i l y ( l a t t i c e _ m a x N s l i p F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n F a m i l y ( l a t t i c e _ m a x N t w i n F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p F a m i l y ( l a t t i c e _ m a x N s l i p F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p F a m i l y ( l a t t i c e _ m a x N s l i p F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n F a m i l y ( l a t t i c e _ m a x N t w i n F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n F a m i l y ( l a t t i c e _ m a x N t w i n F a m i l y , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p F a m i l y ( l a t t i c e _ m a x N s l i p F a m i l y , m a x N i n s t a n c e ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e 0 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e D i p 0 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p F a m i l y = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n F a m i l y = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p F a m i l y = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p F a m i l y = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n F a m i l y = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n F a m i l y = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p F a m i l y = 0 . 0 _ p R e a l
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p S l i p ( l a t t i c e _ m a x N i n t e r a c t i o n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p T w i n ( l a t t i c e _ m a x N i n t e r a c t i o n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n S l i p ( l a t t i c e _ m a x N i n t e r a c t i o n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n T w i n ( l a t t i c e _ m a x N i n t e r a c t i o n , m a x N i n s t a n c e ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p S l i p = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p T w i n = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n S l i p = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n T w i n = 0 . 0 _ p R e a l
|
||
|
||
! * R e a d o u t d a t a f r o m m a t e r i a l . c o n f i g f i l e
|
||
r e w i n d ( f i l e )
|
||
l i n e = ' '
|
||
s e c t i o n = 0
|
||
|
||
d o w h i l e ( I O _ l c ( I O _ g e t T a g ( l i n e , ' < ' , ' > ' ) ) / = ' p h a s e ' ) ! w i n d f o r w a r d t o < p h a s e >
|
||
r e a d ( f i l e , ' ( a 1 0 2 4 ) ' , E N D = 1 0 0 ) l i n e
|
||
e n d d o
|
||
|
||
d o ! r e a d t h r u s e c t i o n s o f p h a s e p a r t
|
||
r e a d ( f i l e , ' ( a 1 0 2 4 ) ' , E N D = 1 0 0 ) l i n e
|
||
i f ( I O _ i s B l a n k ( l i n e ) ) c y c l e ! s k i p e m p t y l i n e s
|
||
i f ( I O _ g e t T a g ( l i n e , ' < ' , ' > ' ) / = ' ' ) e x i t ! s t o p a t n e x t p a r t
|
||
i f ( I O _ g e t T a g ( l i n e , ' [ ' , ' ] ' ) / = ' ' ) t h e n ! n e x t s e c t i o n
|
||
s e c t i o n = s e c t i o n + 1
|
||
o u t p u t = 0 ! r e s e t o u t p u t c o u n t e r
|
||
e n d i f
|
||
i f ( s e c t i o n > 0 . a n d . p h a s e _ c o n s t i t u t i o n ( s e c t i o n ) = = c o n s t i t u t i v e _ d i s l o t w i n _ l a b e l ) t h e n ! o n e o f m y s e c t i o n s
|
||
i = p h a s e _ c o n s t i t u t i o n I n s t a n c e ( s e c t i o n ) ! w h i c h i n s t a n c e o f m y c o n s t i t u t i o n i s p r e s e n t p h a s e
|
||
p o s i t i o n s = I O _ s t r i n g P o s ( l i n e , m a x N c h u n k s )
|
||
t a g = I O _ l c ( I O _ s t r i n g V a l u e ( l i n e , p o s i t i o n s , 1 ) ) ! e x t r a c t k e y
|
||
s e l e c t c a s e ( t a g )
|
||
c a s e ( ' ( o u t p u t ) ' )
|
||
o u t p u t = o u t p u t + 1
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ o u t p u t ( o u t p u t , i ) = I O _ l c ( I O _ s t r i n g V a l u e ( l i n e , p o s i t i o n s , 2 ) )
|
||
c a s e ( ' l a t t i c e _ s t r u c t u r e ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e N a m e ( i ) = I O _ l c ( I O _ s t r i n g V a l u e ( l i n e , p o s i t i o n s , 2 ) )
|
||
c a s e ( ' c o v e r a _ r a t i o ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C o v e r A ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' c 1 1 ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 1 1 ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' c 1 2 ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 1 2 ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' c 1 3 ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 1 3 ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' c 3 3 ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 3 3 ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' c 4 4 ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C 4 4 ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' n s l i p ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N s l i p F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( j , i ) = I O _ i n t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' n t w i n ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N t w i n F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( j , i ) = I O _ i n t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' r h o e d g e 0 ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N s l i p F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e 0 ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' r h o e d g e d i p 0 ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N s l i p F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e D i p 0 ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' s l i p b u r g e r s ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N s l i p F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p F a m i l y ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' t w i n b u r g e r s ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N t w i n F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n F a m i l y ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' q e d g e ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N s l i p F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p F a m i l y ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' v 0 ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N s l i p F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p F a m i l y ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' n d o t 0 ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N t w i n F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n F a m i l y ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' t w i n s i z e ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N t w i n F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n F a m i l y ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' c l a m b d a s l i p ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N s l i p F a m i l y ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p F a m i l y ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' g r a i n s i z e ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' m a x t w i n f r a c t i o n ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ M a x T w i n F r a c t i o n ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' p e x p o n e n t ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' q e x p o n e n t ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ q ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' r e x p o n e n t ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ r ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' d 0 ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ D 0 ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' q s d ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ Q s d ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' a t o l _ r h o ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ a T o l R h o ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' c m f p t w i n ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C m f p t w i n ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' c t h r e s h o l d t w i n ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C t h r e s h o l d t w i n ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' s o l i d s o l u t i o n s t r e n g t h ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ S o l i d S o l u t i o n S t r e n g t h ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' l 0 ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ L 0 ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' c e d g e d i p m i n d i s t a n c e ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C E d g e D i p M i n D i s t a n c e ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' c a t o m i c v o l u m e ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C A t o m i c V o l u m e ( i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 2 )
|
||
c a s e ( ' i n t e r a c t i o n s l i p s l i p ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N i n t e r a c t i o n ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p S l i p ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' i n t e r a c t i o n s l i p t w i n ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N i n t e r a c t i o n ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p T w i n ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' i n t e r a c t i o n t w i n s l i p ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N i n t e r a c t i o n ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n S l i p ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
c a s e ( ' i n t e r a c t i o n t w i n t w i n ' )
|
||
f o r a l l ( j = 1 : l a t t i c e _ m a x N i n t e r a c t i o n ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n T w i n ( j , i ) = I O _ f l o a t V a l u e ( l i n e , p o s i t i o n s , 1 + j )
|
||
e n d s e l e c t
|
||
e n d i f
|
||
e n d d o
|
||
|
||
1 0 0 d o i = 1 , m a x N i n s t a n c e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e ( i ) = &
|
||
l a t t i c e _ i n i t i a l i z e S t r u c t u r e ( c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e N a m e ( i ) , c o n s t i t u t i v e _ d i s l o t w i n _ C o v e r A ( i ) )
|
||
m y S t r u c t u r e = c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e ( i )
|
||
|
||
! * S a n i t y c h e c k s
|
||
i f ( m y S t r u c t u r e < 1 . o r . m y S t r u c t u r e > 3 ) c a l l I O _ e r r o r ( 2 0 5 )
|
||
i f ( s u m ( c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( : , i ) ) < = 0 _ p I n t ) c a l l I O _ e r r o r ( 2 2 5 )
|
||
i f ( s u m ( c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( : , i ) ) < 0 _ p I n t ) c a l l I O _ e r r o r ( 2 2 5 ) ! * * *
|
||
d o f = 1 , l a t t i c e _ m a x N s l i p F a m i l y
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , i ) > 0 _ p I n t ) t h e n
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e 0 ( f , i ) < 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 2 0 )
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e D i p 0 ( f , i ) < 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 2 0 )
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p F a m i l y ( f , i ) < = 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 2 1 )
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p F a m i l y ( f , i ) < = 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 2 6 )
|
||
e n d i f
|
||
e n d d o
|
||
d o f = 1 , l a t t i c e _ m a x N t w i n F a m i l y
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , i ) > 0 _ p I n t ) t h e n
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n F a m i l y ( f , i ) < = 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 2 1 ) ! * * *
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n F a m i l y ( f , i ) < 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 2 6 ) ! * * *
|
||
e n d i f
|
||
e n d d o
|
||
! i f ( a n y ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p S l i p ( 1 : m a x v a l ( l a t t i c e _ i n t e r a c t i o n S l i p S l i p ( : , : , m y S t r u c t u r e ) ) , i ) < 1 . 0 _ p R e a l ) ) c a l l I O _ e r r o r ( 2 2 9 )
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ C A t o m i c V o l u m e ( i ) < = 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 3 0 )
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ D 0 ( i ) < = 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 3 1 )
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ Q s d ( i ) < = 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 3 2 )
|
||
i f ( c o n s t i t u t i v e _ d i s l o t w i n _ a T o l R h o ( i ) < = 0 . 0 _ p R e a l ) c a l l I O _ e r r o r ( 2 3 3 )
|
||
|
||
! * D e t e r m i n e t o t a l n u m b e r o f a c t i v e s l i p o r t w i n s y s t e m s
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( : , i ) = m i n ( l a t t i c e _ N s l i p S y s t e m ( : , m y S t r u c t u r e ) , c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( : , i ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( : , i ) = m i n ( l a t t i c e _ N t w i n S y s t e m ( : , m y S t r u c t u r e ) , c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( : , i ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i ) = s u m ( c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( : , i ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( i ) = s u m ( c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( : , i ) )
|
||
|
||
e n d d o
|
||
|
||
! * A l l o c a t i o n o f v a r i a b l e s w h o s e s i z e d e p e n d s o n t h e t o t a l n u m b e r o f a c t i v e s l i p s y s t e m s
|
||
m a x T o t a l N s l i p = m a x v a l ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p )
|
||
m a x T o t a l N t w i n = m a x v a l ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n )
|
||
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( m a x T o t a l N s l i p , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n S y s t e m ( m a x T o t a l N t w i n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p S y s t e m ( m a x T o t a l N s l i p , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p S y s t e m ( m a x T o t a l N s l i p , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n S y s t e m ( m a x T o t a l N t w i n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n S y s t e m ( m a x T o t a l N t w i n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p S y s t e m ( m a x T o t a l N s l i p , m a x N i n s t a n c e ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n S y s t e m = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p S y s t e m = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p S y s t e m = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n S y s t e m = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n S y s t e m = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p S y s t e m = 0 . 0 _ p R e a l
|
||
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p S l i p ( m a x T o t a l N s l i p , m a x T o t a l N s l i p , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p T w i n ( m a x T o t a l N s l i p , m a x T o t a l N t w i n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x T w i n S l i p ( m a x T o t a l N t w i n , m a x T o t a l N s l i p , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x T w i n T w i n ( m a x T o t a l N t w i n , m a x T o t a l N t w i n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ f o r e s t P r o j e c t i o n E d g e ( m a x T o t a l N s l i p , m a x T o t a l N s l i p , m a x N i n s t a n c e ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p S l i p = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p T w i n = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x T w i n S l i p = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x T w i n T w i n = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ f o r e s t P r o j e c t i o n E d g e = 0 . 0 _ p R e a l
|
||
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 6 6 ( 6 , 6 , m a x T o t a l N t w i n , m a x N i n s t a n c e ) )
|
||
a l l o c a t e ( c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 3 3 3 3 ( 3 , 3 , 3 , 3 , m a x T o t a l N t w i n , m a x N i n s t a n c e ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 6 6 = 0 . 0 _ p R e a l
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 3 3 3 3 = 0 . 0 _ p R e a l
|
||
|
||
d o i = 1 , m a x N i n s t a n c e
|
||
m y S t r u c t u r e = c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e ( i )
|
||
|
||
! * I n v e r s e l o o k u p o f m y s l i p s y s t e m f a m i l y
|
||
l = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N s l i p F a m i l y
|
||
d o k = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , i )
|
||
l = l + 1
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s l i p F a m i l y ( l , i ) = f
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e ( l , i ) = s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) + k
|
||
e n d d o ; e n d d o
|
||
|
||
! * I n v e r s e l o o k u p o f m y t w i n s y s t e m f a m i l y
|
||
l = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N t w i n F a m i l y
|
||
d o k = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( f , i )
|
||
l = l + 1
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n F a m i l y ( l , i ) = f
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n S y s t e m L a t t i c e ( l , i ) = s u m ( l a t t i c e _ N t w i n S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) + k
|
||
e n d d o ; e n d d o
|
||
|
||
! * D e t e r m i n e s i z e o f s t a t e a r r a y
|
||
n s = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i )
|
||
n t = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e D o t S t a t e ( i ) = &
|
||
s i z e ( c o n s t i t u t i v e _ d i s l o t w i n _ l i s t B a s i c S l i p S t a t e s ) * n s + s i z e ( c o n s t i t u t i v e _ d i s l o t w i n _ l i s t B a s i c T w i n S t a t e s ) * n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e S t a t e ( i ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e D o t S t a t e ( i ) + &
|
||
s i z e ( c o n s t i t u t i v e _ d i s l o t w i n _ l i s t D e p e n d e n t S l i p S t a t e s ) * n s + s i z e ( c o n s t i t u t i v e _ d i s l o t w i n _ l i s t D e p e n d e n t T w i n S t a t e s ) * n t
|
||
|
||
! * D e t e r m i n e s i z e o f p o s t R e s u l t s a r r a y
|
||
d o o = 1 , m a x v a l ( p h a s e _ N o u t p u t )
|
||
s e l e c t c a s e ( c o n s t i t u t i v e _ d i s l o t w i n _ o u t p u t ( o , i ) )
|
||
c a s e ( ' e d g e _ d e n s i t y ' , &
|
||
' d i p o l e _ d e n s i t y ' , &
|
||
' s h e a r _ r a t e _ s l i p ' , &
|
||
' m f p _ s l i p ' , &
|
||
' r e s o l v e d _ s t r e s s _ s l i p ' , &
|
||
' t h r e s h o l d _ s t r e s s _ s l i p ' , &
|
||
' e d g e _ d i p o l e _ d i s t a n c e ' , &
|
||
' s t r e s s _ e x p o n e n t ' &
|
||
)
|
||
m y S i z e = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i )
|
||
c a s e ( ' t w i n _ f r a c t i o n ' , &
|
||
' s h e a r _ r a t e _ t w i n ' , &
|
||
' m f p _ t w i n ' , &
|
||
' r e s o l v e d _ s t r e s s _ t w i n ' , &
|
||
' t h r e s h o l d _ s t r e s s _ t w i n ' &
|
||
)
|
||
m y S i z e = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( i )
|
||
c a s e d e f a u l t
|
||
m y S i z e = 0 _ p I n t
|
||
e n d s e l e c t
|
||
|
||
i f ( m y S i z e > 0 _ p I n t ) t h e n ! a n y m e a n i n g f u l o u t p u t f o u n d
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t ( o , i ) = m y S i z e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t s ( i ) = c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t s ( i ) + m y S i z e
|
||
e n d i f
|
||
e n d d o
|
||
|
||
! * E l a s t i c i t y m a t r i x a n d s h e a r m o d u l u s a c c o r d i n g t o m a t e r i a l . c o n f i g
|
||
s e l e c t c a s e ( m y S t r u c t u r e )
|
||
c a s e ( 1 : 2 ) ! c u b i c ( s )
|
||
f o r a l l ( k = 1 : 3 )
|
||
f o r a l l ( j = 1 : 3 ) &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( k , j , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 2 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( k , k , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 1 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( k + 3 , k + 3 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 4 4 ( i )
|
||
e n d f o r a l l
|
||
c a s e ( 3 : ) ! a l l h e x
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 1 , 1 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 1 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 2 , 2 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 1 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 3 , 3 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 3 3 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 1 , 2 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 2 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 2 , 1 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 2 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 1 , 3 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 3 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 3 , 1 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 3 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 2 , 3 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 3 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 3 , 2 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 1 3 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 4 , 4 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 4 4 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 5 , 5 , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C 4 4 ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( 6 , 6 , i ) = 0 . 5 _ p R e a l * ( c o n s t i t u t i v e _ d i s l o t w i n _ C 1 1 ( i ) - c o n s t i t u t i v e _ d i s l o t w i n _ C 1 2 ( i ) )
|
||
e n d s e l e c t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( : , : , i ) = m a t h _ M a n d e l 3 3 3 3 t o 6 6 ( m a t h _ V o i g t 6 6 t o 3 3 3 3 ( c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( : , : , i ) ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 3 3 3 3 ( : , : , : , : , i ) = m a t h _ V o i g t 6 6 t o 3 3 3 3 ( c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( : , : , i ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G m o d ( i ) = &
|
||
0 . 2 _ p R e a l * ( c o n s t i t u t i v e _ d i s l o t w i n _ C 1 1 ( i ) - c o n s t i t u t i v e _ d i s l o t w i n _ C 1 2 ( i ) ) + 0 . 3 _ p R e a l * c o n s t i t u t i v e _ d i s l o t w i n _ C 4 4 ( i )
|
||
|
||
! * C o n s t r u c t i o n o f t h e t w i n e l a s t i c i t y m a t r i c e s
|
||
d o j = 1 , l a t t i c e _ m a x N t w i n F a m i l y
|
||
d o k = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( j , i )
|
||
d o l = 1 , 3 ; d o m = 1 , 3 ; d o n = 1 , 3 ; d o o = 1 , 3 ; d o p = 1 , 3 ; d o q = 1 , 3 ; d o r = 1 , 3 ; d o s = 1 , 3
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 3 3 3 3 ( l , m , n , o , s u m ( c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( 1 : j - 1 , i ) ) + k , i ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 3 3 3 3 ( l , m , n , o , s u m ( c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( 1 : j - 1 , i ) ) + k , i ) + &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 3 3 3 3 ( p , q , r , s , i ) * &
|
||
l a t t i c e _ Q t w i n ( l , p , s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : j - 1 , m y S t r u c t u r e ) ) + k , m y S t r u c t u r e ) * &
|
||
l a t t i c e _ Q t w i n ( m , q , s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : j - 1 , m y S t r u c t u r e ) ) + k , m y S t r u c t u r e ) * &
|
||
l a t t i c e _ Q t w i n ( n , r , s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : j - 1 , m y S t r u c t u r e ) ) + k , m y S t r u c t u r e ) * &
|
||
l a t t i c e _ Q t w i n ( o , s , s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : j - 1 , m y S t r u c t u r e ) ) + k , m y S t r u c t u r e )
|
||
e n d d o ; e n d d o ; e n d d o ; e n d d o ; e n d d o ; e n d d o ; e n d d o ; e n d d o
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 6 6 ( : , : , k , i ) = m a t h _ M a n d e l 3 3 3 3 t o 6 6 ( c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 3 3 3 3 ( : , : , : , : , k , i ) )
|
||
e n d d o
|
||
e n d d o
|
||
|
||
! * B u r g e r s v e c t o r , d i s l o c a t i o n v e l o c i t y p r e f a c t o r , m e a n f r e e p a t h p r e f a c t o r a n d m i n i m u m d i p o l e d i s t a n c e f o r e a c h s l i p s y s t e m
|
||
d o s = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i )
|
||
f = c o n s t i t u t i v e _ d i s l o t w i n _ s l i p F a m i l y ( s , i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( s , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p F a m i l y ( f , i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p S y s t e m ( s , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p F a m i l y ( f , i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p S y s t e m ( s , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p F a m i l y ( f , i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p S y s t e m ( s , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p F a m i l y ( f , i )
|
||
e n d d o
|
||
|
||
! * B u r g e r s v e c t o r , n u c l e a t i o n r a t e p r e f a c t o r a n d t w i n s i z e f o r e a c h t w i n s y s t e m
|
||
d o s = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( i )
|
||
f = c o n s t i t u t i v e _ d i s l o t w i n _ t w i n F a m i l y ( s , i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n S y s t e m ( s , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n F a m i l y ( f , i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n S y s t e m ( s , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n F a m i l y ( f , i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n S y s t e m ( s , i ) = c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n F a m i l y ( f , i )
|
||
e n d d o
|
||
|
||
! * C o n s t r u c t i o n o f i n t e r a c t i o n m a t r i c e s
|
||
d o s 1 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i )
|
||
d o s 2 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p S l i p ( s 1 , s 2 , i ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p S l i p ( l a t t i c e _ i n t e r a c t i o n S l i p S l i p ( c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e ( s 1 , i ) , &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e ( s 2 , i ) , &
|
||
m y S t r u c t u r e ) , i )
|
||
e n d d o ; e n d d o
|
||
|
||
d o s 1 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i )
|
||
d o t 2 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p T w i n ( s 1 , t 2 , i ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n S l i p T w i n ( l a t t i c e _ i n t e r a c t i o n S l i p T w i n ( c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e ( s 1 , i ) , &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n S y s t e m L a t t i c e ( t 2 , i ) , &
|
||
m y S t r u c t u r e ) , i )
|
||
e n d d o ; e n d d o
|
||
|
||
d o t 1 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( i )
|
||
d o s 2 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x T w i n S l i p ( t 1 , s 2 , i ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n S l i p ( l a t t i c e _ i n t e r a c t i o n T w i n S l i p ( c o n s t i t u t i v e _ d i s l o t w i n _ t w i n S y s t e m L a t t i c e ( t 1 , i ) , &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e ( s 2 , i ) , &
|
||
m y S t r u c t u r e ) , i )
|
||
e n d d o ; e n d d o
|
||
|
||
d o t 1 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( i )
|
||
d o t 2 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x T w i n T w i n ( t 1 , t 2 , i ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n T w i n T w i n ( l a t t i c e _ i n t e r a c t i o n T w i n T w i n ( c o n s t i t u t i v e _ d i s l o t w i n _ t w i n S y s t e m L a t t i c e ( t 1 , i ) , &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ t w i n S y s t e m L a t t i c e ( t 2 , i ) , &
|
||
m y S t r u c t u r e ) , i )
|
||
e n d d o ; e n d d o
|
||
|
||
! * C a l c u l a t i o n o f f o r e s t p r o j e c t i o n s f o r e d g e d i s l o c a t i o n s
|
||
d o s 1 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i )
|
||
d o s 2 = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( i )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ f o r e s t P r o j e c t i o n E d g e ( s 1 , s 2 , i ) = &
|
||
a b s ( m a t h _ m u l 3 x 3 ( l a t t i c e _ s n ( : , c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e ( s 1 , i ) , m y S t r u c t u r e ) , &
|
||
l a t t i c e _ s t ( : , c o n s t i t u t i v e _ d i s l o t w i n _ s l i p S y s t e m L a t t i c e ( s 2 , i ) , m y S t r u c t u r e ) ) )
|
||
e n d d o ; e n d d o
|
||
|
||
e n d d o
|
||
|
||
r e t u r n
|
||
e n d s u b r o u t i n e
|
||
|
||
|
||
f u n c t i o n c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t ( m y I n s t a n c e )
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * i n i t i a l m i c r o s t r u c t u r a l s t a t e *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
u s e p r e c , o n l y : p R e a l , p I n t
|
||
u s e m a t h , o n l y : p i
|
||
u s e l a t t i c e , o n l y : l a t t i c e _ m a x N s l i p F a m i l y , l a t t i c e _ m a x N t w i n F a m i l y
|
||
i m p l i c i t n o n e
|
||
|
||
! * I n p u t - O u t p u t v a r i a b l e s
|
||
i n t e g e r ( p I n t ) : : m y I n s t a n c e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ s i z e S t a t e ( m y I n s t a n c e ) ) : : c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t
|
||
! * L o c a l v a r i a b l e s
|
||
i n t e g e r ( p I n t ) s 0 , s 1 , s , t , f , n s , n t
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( m y I n s t a n c e ) ) : : r h o E d g e 0 , &
|
||
r h o E d g e D i p 0 , &
|
||
i n v L a m b d a S l i p 0 , &
|
||
M e a n F r e e P a t h S l i p 0 , &
|
||
t a u S l i p T h r e s h o l d 0
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( m y I n s t a n c e ) ) : : M e a n F r e e P a t h T w i n 0 , T w i n V o l u m e 0
|
||
|
||
n s = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( m y I n s t a n c e )
|
||
n t = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( m y I n s t a n c e )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t = 0 . 0 _ p R e a l
|
||
|
||
! * I n i t i a l i z e b a s i c s l i p s t a t e v a r i a b l e s
|
||
s 1 = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N s l i p F a m i l y
|
||
s 0 = s 1 + 1 _ p I n t
|
||
s 1 = s 0 + c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , m y I n s t a n c e ) - 1 _ p I n t
|
||
d o s = s 0 , s 1
|
||
r h o E d g e 0 ( s ) = c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e 0 ( f , m y I n s t a n c e )
|
||
r h o E d g e D i p 0 ( s ) = c o n s t i t u t i v e _ d i s l o t w i n _ r h o E d g e D i p 0 ( f , m y I n s t a n c e )
|
||
e n d d o
|
||
e n d d o
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t ( 1 : n s ) = r h o E d g e 0
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t ( n s + 1 : 2 * n s ) = r h o E d g e D i p 0
|
||
|
||
! * I n i t i a l i z e d e p e n d e n t s l i p m i c r o s t r u c t u r a l v a r i a b l e s
|
||
f o r a l l ( s = 1 : n s ) &
|
||
i n v L a m b d a S l i p 0 ( s ) = s q r t ( d o t _ p r o d u c t ( ( r h o E d g e 0 + r h o E d g e D i p 0 ) , c o n s t i t u t i v e _ d i s l o t w i n _ f o r e s t P r o j e c t i o n E d g e ( 1 : n s , s , m y I n s t a n c e ) ) ) / &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p S y s t e m ( s , m y I n s t a n c e )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t ( 2 * n s + n t + 1 : 3 * n s + n t ) = i n v L a m b d a S l i p 0
|
||
|
||
f o r a l l ( s = 1 : n s ) &
|
||
M e a n F r e e P a t h S l i p 0 ( s ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m y I n s t a n c e ) / ( 1 . 0 _ p R e a l + i n v L a m b d a S l i p 0 ( s ) * c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m y I n s t a n c e ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t ( 4 * n s + 2 * n t + 1 : 5 * n s + 2 * n t ) = M e a n F r e e P a t h S l i p 0
|
||
|
||
f o r a l l ( s = 1 : n s ) &
|
||
t a u S l i p T h r e s h o l d 0 ( s ) = c o n s t i t u t i v e _ d i s l o t w i n _ S o l i d S o l u t i o n S t r e n g t h ( m y I n s t a n c e ) + &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G m o d ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( s , m y I n s t a n c e ) * &
|
||
s q r t ( d o t _ p r o d u c t ( ( r h o E d g e 0 + r h o E d g e D i p 0 ) , c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p S l i p ( 1 : n s , s , m y I n s t a n c e ) ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t ( 5 * n s + 3 * n t + 1 : 6 * n s + 3 * n t ) = t a u S l i p T h r e s h o l d 0
|
||
|
||
! * I n i t i a l i z e d e p e n d e n t t w i n m i c r o s t r u c t u r a l v a r i a b l e s
|
||
f o r a l l ( t = 1 : n t ) &
|
||
M e a n F r e e P a t h T w i n 0 ( t ) = c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m y I n s t a n c e )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t ( 5 * n s + 2 * n t + 1 : 5 * n s + 3 * n t ) = M e a n F r e e P a t h T w i n 0
|
||
|
||
f o r a l l ( t = 1 : n t ) &
|
||
T w i n V o l u m e 0 ( t ) = &
|
||
( p i / 6 . 0 _ p R e a l ) * c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n S y s t e m ( t , m y I n s t a n c e ) * M e a n F r e e P a t h T w i n 0 ( t ) * * ( 2 . 0 _ p R e a l )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ s t a t e I n i t ( 6 * n s + 4 * n t + 1 : 6 * n s + 5 * n t ) = T w i n V o l u m e 0
|
||
|
||
! w r i t e ( 6 , * ) ' # S T A T E I N I T # '
|
||
! w r i t e ( 6 , * )
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' R h o E d g e ' , r h o E d g e 0
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' R h o E d g e d i p ' , r h o E d g e D i p 0
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' i n v L a m b d a S l i p ' , i n v L a m b d a S l i p 0
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' M e a n F r e e P a t h S l i p ' , M e a n F r e e P a t h S l i p 0
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' t a u S l i p T h r e s h o l d ' , t a u S l i p T h r e s h o l d 0
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' M e a n F r e e P a t h T w i n ' , M e a n F r e e P a t h T w i n 0
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' T w i n V o l u m e ' , T w i n V o l u m e 0
|
||
|
||
r e t u r n
|
||
e n d f u n c t i o n
|
||
|
||
|
||
p u r e f u n c t i o n c o n s t i t u t i v e _ d i s l o t w i n _ a T o l S t a t e ( m y I n s t a n c e )
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * a b s o l u t e s t a t e t o l e r a n c e *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
u s e p r e c , o n l y : p R e a l , p I n t
|
||
i m p l i c i t n o n e
|
||
|
||
! * I n p u t - O u t p u t v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , i n t e n t ( i n ) : : m y I n s t a n c e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ s i z e S t a t e ( m y I n s t a n c e ) ) : : c o n s t i t u t i v e _ d i s l o t w i n _ a T o l S t a t e
|
||
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ a T o l S t a t e = c o n s t i t u t i v e _ d i s l o t w i n _ a T o l R h o ( m y I n s t a n c e )
|
||
|
||
r e t u r n
|
||
e n d f u n c t i o n
|
||
|
||
|
||
p u r e f u n c t i o n c o n s t i t u t i v e _ d i s l o t w i n _ h o m o g e n i z e d C ( s t a t e , g , i p , e l )
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * c a l c u l a t e s h o m o g e n i z e d e l a c t i c i t y m a t r i x *
|
||
! * - s t a t e : m i c r o s t r u c t u r e q u a n t i t i e s *
|
||
! * - g : c o m p o n e n t - I D o f c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - i p : c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - e l : c u r r e n t e l e m e n t *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
u s e p r e c , o n l y : p R e a l , p I n t , p _ v e c
|
||
u s e m e s h , o n l y : m e s h _ N c p E l e m s , m e s h _ m a x N i p s
|
||
u s e m a t e r i a l , o n l y : h o m o g e n i z a t i o n _ m a x N g r a i n s , m a t e r i a l _ p h a s e , p h a s e _ c o n s t i t u t i o n I n s t a n c e
|
||
i m p l i c i t n o n e
|
||
|
||
! * I n p u t - O u t p u t v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , i n t e n t ( i n ) : : g , i p , e l
|
||
t y p e ( p _ v e c ) , d i m e n s i o n ( h o m o g e n i z a t i o n _ m a x N g r a i n s , m e s h _ m a x N i p s , m e s h _ N c p E l e m s ) , i n t e n t ( i n ) : : s t a t e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( 6 , 6 ) : : c o n s t i t u t i v e _ d i s l o t w i n _ h o m o g e n i z e d C
|
||
! * L o c a l v a r i a b l e s
|
||
i n t e g e r ( p I n t ) m y I n s t a n c e , n s , n t , i
|
||
r e a l ( p R e a l ) s u m f
|
||
|
||
! * S h o r t e n e d n o t a t i o n
|
||
m y I n s t a n c e = p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) )
|
||
n s = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( m y I n s t a n c e )
|
||
n t = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( m y I n s t a n c e )
|
||
|
||
! * T o t a l t w i n v o l u m e f r a c t i o n
|
||
s u m f = s u m ( s t a t e ( g , i p , e l ) % p ( ( 2 * n s + 1 ) : ( 2 * n s + n t ) ) ) ! s a f e f o r n t = = 0
|
||
|
||
! * H o m o g e n i z e d e l a s t i c i t y m a t r i x
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ h o m o g e n i z e d C = ( 1 . 0 _ p R e a l - s u m f ) * c o n s t i t u t i v e _ d i s l o t w i n _ C s l i p _ 6 6 ( : , : , m y I n s t a n c e )
|
||
d o i = 1 , n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ h o m o g e n i z e d C = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ h o m o g e n i z e d C + s t a t e ( g , i p , e l ) % p ( 2 * n s + i ) * c o n s t i t u t i v e _ d i s l o t w i n _ C t w i n _ 6 6 ( : , : , i , m y I n s t a n c e )
|
||
e n d d o
|
||
|
||
r e t u r n
|
||
e n d f u n c t i o n
|
||
|
||
|
||
s u b r o u t i n e c o n s t i t u t i v e _ d i s l o t w i n _ m i c r o s t r u c t u r e ( T e m p e r a t u r e , s t a t e , g , i p , e l )
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * c a l c u l a t e s q u a n t i t i e s c h a r a c t e r i z i n g t h e m i c r o s t r u c t u r e *
|
||
! * - T e m p e r a t u r e : t e m p e r a t u r e *
|
||
! * - s t a t e : m i c r o s t r u c t u r e q u a n t i t i e s *
|
||
! * - i p c : c o m p o n e n t - I D o f c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - i p : c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - e l : c u r r e n t e l e m e n t *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
u s e p r e c , o n l y : p R e a l , p I n t , p _ v e c
|
||
u s e m a t h , o n l y : p i
|
||
u s e m e s h , o n l y : m e s h _ N c p E l e m s , m e s h _ m a x N i p s
|
||
u s e m a t e r i a l , o n l y : h o m o g e n i z a t i o n _ m a x N g r a i n s , m a t e r i a l _ p h a s e , p h a s e _ c o n s t i t u t i o n I n s t a n c e
|
||
u s e l a t t i c e , o n l y : l a t t i c e _ i n t e r a c t i o n S l i p T w i n , l a t t i c e _ i n t e r a c t i o n T w i n T w i n
|
||
! u s e d e b u g , o n l y : d e b u g g e r
|
||
i m p l i c i t n o n e
|
||
|
||
! * I n p u t - O u t p u t v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , i n t e n t ( i n ) : : g , i p , e l
|
||
r e a l ( p R e a l ) , i n t e n t ( i n ) : : T e m p e r a t u r e
|
||
t y p e ( p _ v e c ) , d i m e n s i o n ( h o m o g e n i z a t i o n _ m a x N g r a i n s , m e s h _ m a x N i p s , m e s h _ N c p E l e m s ) , i n t e n t ( i n o u t ) : : s t a t e
|
||
! * L o c a l v a r i a b l e s
|
||
i n t e g e r ( p I n t ) m y I n s t a n c e , m y S t r u c t u r e , n s , n t , s , t
|
||
r e a l ( p R e a l ) s u m f , s f e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) ) ) ) : : f O v e r S t a c k s i z e
|
||
|
||
! * S h o r t e n e d n o t a t i o n
|
||
m y I n s t a n c e = p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) )
|
||
m y S t r u c t u r e = c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e ( m y I n s t a n c e )
|
||
n s = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( m y I n s t a n c e )
|
||
n t = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( m y I n s t a n c e )
|
||
! * S t a t e : 1 : n s r h o _ e d g e
|
||
! * S t a t e : n s + 1 : 2 * n s r h o _ d i p o l e
|
||
! * S t a t e : 2 * n s + 1 : 2 * n s + n t f
|
||
! * S t a t e : 2 * n s + n t + 1 : 3 * n s + n t 1 / l a m b d a _ s l i p
|
||
! * S t a t e : 3 * n s + n t + 1 : 4 * n s + n t 1 / l a m b d a _ s l i p t w i n
|
||
! * S t a t e : 4 * n s + n t + 1 : 4 * n s + 2 * n t 1 / l a m b d a _ t w i n
|
||
! * S t a t e : 4 * n s + 2 * n t + 1 : 5 * n s + 2 * n t m f p _ s l i p
|
||
! * S t a t e : 5 * n s + 2 * n t + 1 : 5 * n s + 3 * n t m f p _ t w i n
|
||
! * S t a t e : 5 * n s + 3 * n t + 1 : 6 * n s + 3 * n t t h r e s h o l d _ s t r e s s _ s l i p
|
||
! * S t a t e : 6 * n s + 3 * n t + 1 : 6 * n s + 4 * n t t h r e s h o l d _ s t r e s s _ t w i n
|
||
! * S t a t e : 6 * n s + 4 * n t + 1 : 6 * n s + 5 * n t t w i n v o l u m e
|
||
|
||
! * T o t a l t w i n v o l u m e f r a c t i o n
|
||
s u m f = s u m ( s t a t e ( g , i p , e l ) % p ( ( 2 * n s + 1 ) : ( 2 * n s + n t ) ) ) ! s a f e f o r n t = = 0
|
||
|
||
! * S t a c k i n g f a u l t e n e r g y
|
||
s f e = 0 . 0 0 0 2 _ p R e a l * T e m p e r a t u r e - 0 . 0 3 9 6 _ p R e a l
|
||
|
||
! * r e s c a l e d t w i n v o l u m e f r a c t i o n f o r t o p o l o g y
|
||
f o r a l l ( t = 1 : n t ) &
|
||
f O v e r S t a c k s i z e ( t ) = &
|
||
s t a t e ( g , i p , e l ) % p ( 2 * n s + t ) / c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n S y s t e m ( t , m y I n s t a n c e )
|
||
|
||
! * 1 / m e a n f r e e d i s t a n c e b e t w e e n 2 f o r e s t d i s l o c a t i o n s s e e n b y a m o v i n g d i s l o c a t i o n
|
||
f o r a l l ( s = 1 : n s ) &
|
||
s t a t e ( g , i p , e l ) % p ( 2 * n s + n t + s ) = &
|
||
s q r t ( d o t _ p r o d u c t ( ( s t a t e ( g , i p , e l ) % p ( 1 : n s ) + s t a t e ( g , i p , e l ) % p ( n s + 1 : 2 * n s ) ) , &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ f o r e s t P r o j e c t i o n E d g e ( 1 : n s , s , m y I n s t a n c e ) ) ) / &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C L a m b d a S l i p P e r S l i p S y s t e m ( s , m y I n s t a n c e )
|
||
|
||
! * 1 / m e a n f r e e d i s t a n c e b e t w e e n 2 t w i n s t a c k s f r o m d i f f e r e n t s y s t e m s s e e n b y a m o v i n g d i s l o c a t i o n
|
||
! $ O M P C R I T I C A L ( e v i l m a t m u l )
|
||
s t a t e ( g , i p , e l ) % p ( ( 3 * n s + n t + 1 ) : ( 4 * n s + n t ) ) = 0 . 0 _ p R e a l
|
||
i f ( n t > 0 _ p I n t ) &
|
||
s t a t e ( g , i p , e l ) % p ( ( 3 * n s + n t + 1 ) : ( 4 * n s + n t ) ) = &
|
||
m a t m u l ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p T w i n ( 1 : n s , 1 : n t , m y I n s t a n c e ) , f O v e r S t a c k s i z e ( 1 : n t ) ) / ( 1 . 0 _ p R e a l - s u m f )
|
||
! $ O M P E N D C R I T I C A L ( e v i l m a t m u l )
|
||
|
||
! * 1 / m e a n f r e e d i s t a n c e b e t w e e n 2 t w i n s t a c k s f r o m d i f f e r e n t s y s t e m s s e e n b y a g r o w i n g t w i n
|
||
! $ O M P C R I T I C A L ( e v i l m a t m u l )
|
||
i f ( n t > 0 _ p I n t ) &
|
||
s t a t e ( g , i p , e l ) % p ( ( 4 * n s + n t + 1 ) : ( 4 * n s + 2 * n t ) ) = &
|
||
m a t m u l ( c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x T w i n T w i n ( 1 : n t , 1 : n t , m y I n s t a n c e ) , f O v e r S t a c k s i z e ( 1 : n t ) ) / ( 1 . 0 _ p R e a l - s u m f )
|
||
! $ O M P E N D C R I T I C A L ( e v i l m a t m u l )
|
||
|
||
! * m e a n f r e e p a t h b e t w e e n 2 o b s t a c l e s s e e n b y a m o v i n g d i s l o c a t i o n
|
||
d o s = 1 , n s
|
||
i f ( n t > 0 _ p I n t ) t h e n
|
||
s t a t e ( g , i p , e l ) % p ( 4 * n s + 2 * n t + s ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m y I n s t a n c e ) / ( 1 . 0 _ p R e a l + c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m y I n s t a n c e ) * &
|
||
( s t a t e ( g , i p , e l ) % p ( 2 * n s + n t + s ) + s t a t e ( g , i p , e l ) % p ( 3 * n s + n t + s ) ) )
|
||
e l s e
|
||
s t a t e ( g , i p , e l ) % p ( 4 * n s + s ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m y I n s t a n c e ) / &
|
||
( 1 . 0 _ p R e a l + c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m y I n s t a n c e ) * ( s t a t e ( g , i p , e l ) % p ( 2 * n s + s ) ) )
|
||
e n d i f
|
||
e n d d o
|
||
|
||
! * m e a n f r e e p a t h b e t w e e n 2 o b s t a c l e s s e e n b y a g r o w i n g t w i n
|
||
f o r a l l ( t = 1 : n t ) &
|
||
s t a t e ( g , i p , e l ) % p ( 5 * n s + 2 * n t + t ) = &
|
||
( c o n s t i t u t i v e _ d i s l o t w i n _ C m f p t w i n ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m y I n s t a n c e ) ) / &
|
||
( 1 . 0 _ p R e a l + c o n s t i t u t i v e _ d i s l o t w i n _ G r a i n S i z e ( m y I n s t a n c e ) * s t a t e ( g , i p , e l ) % p ( 4 * n s + n t + t ) )
|
||
|
||
! * t h r e s h o l d s t r e s s f o r d i s l o c a t i o n m o t i o n
|
||
f o r a l l ( s = 1 : n s ) &
|
||
s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + s ) = c o n s t i t u t i v e _ d i s l o t w i n _ S o l i d S o l u t i o n S t r e n g t h ( m y I n s t a n c e ) + &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ G m o d ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( s , m y I n s t a n c e ) * &
|
||
s q r t ( d o t _ p r o d u c t ( ( s t a t e ( g , i p , e l ) % p ( 1 : n s ) + s t a t e ( g , i p , e l ) % p ( n s + 1 : 2 * n s ) ) , &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ i n t e r a c t i o n M a t r i x S l i p S l i p ( 1 : n s , s , m y I n s t a n c e ) ) )
|
||
|
||
! * t h r e s h o l d s t r e s s f o r g r o w i n g t w i n
|
||
f o r a l l ( t = 1 : n t ) &
|
||
s t a t e ( g , i p , e l ) % p ( 6 * n s + 3 * n t + t ) = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C t h r e s h o l d t w i n ( m y I n s t a n c e ) * &
|
||
( s f e / ( 3 . 0 _ p R e a l * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n S y s t e m ( t , m y I n s t a n c e ) ) + &
|
||
3 . 0 _ p R e a l * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r T w i n S y s t e m ( t , m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ G m o d ( m y I n s t a n c e ) / &
|
||
( c o n s t i t u t i v e _ d i s l o t w i n _ L 0 ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( t , m y I n s t a n c e ) ) )
|
||
|
||
! * f i n a l t w i n v o l u m e a f t e r g r o w t h
|
||
f o r a l l ( t = 1 : n t ) &
|
||
s t a t e ( g , i p , e l ) % p ( 6 * n s + 4 * n t + t ) = &
|
||
( p i / 6 . 0 _ p R e a l ) * c o n s t i t u t i v e _ d i s l o t w i n _ t w i n s i z e P e r T w i n S y s t e m ( t , m y I n s t a n c e ) * s t a t e ( g , i p , e l ) % p ( 5 * n s + 2 * n t + t ) * * ( 2 . 0 _ p R e a l )
|
||
|
||
! i f ( ( i p = = 1 ) . a n d . ( e l = = 1 ) ) t h e n
|
||
! w r i t e ( 6 , * ) ' # M I C R O S T R U C T U R E # '
|
||
! w r i t e ( 6 , * )
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 1 0 . 4 , x ) / ) ) ' ) ' r h o E d g e ' , s t a t e ( g , i p , e l ) % p ( 1 : n s ) / 1 e 9
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 1 0 . 4 , x ) / ) ) ' ) ' r h o E d g e D i p ' , s t a t e ( g , i p , e l ) % p ( n s + 1 : 2 * n s ) / 1 e 9
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 1 0 . 4 , x ) / ) ) ' ) ' F r a c t i o n ' , s t a t e ( g , i p , e l ) % p ( 2 * n s + 1 : 2 * n s + n t )
|
||
! e n d i f
|
||
|
||
|
||
r e t u r n
|
||
e n d s u b r o u t i n e
|
||
|
||
|
||
s u b r o u t i n e c o n s t i t u t i v e _ d i s l o t w i n _ L p A n d I t s T a n g e n t ( L p , d L p _ d T s t a r , T s t a r _ v , T e m p e r a t u r e , s t a t e , g , i p , e l )
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * c a l c u l a t e s p l a s t i c v e l o c i t y g r a d i e n t a n d i t s t a n g e n t *
|
||
! * I N P U T : *
|
||
! * - T e m p e r a t u r e : t e m p e r a t u r e *
|
||
! * - s t a t e : m i c r o s t r u c t u r e q u a n t i t i e s *
|
||
! * - T s t a r _ v : 2 n d P i o l a K i r c h h o f f s t r e s s t e n s o r ( M a n d e l ) *
|
||
! * - i p c : c o m p o n e n t - I D a t c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - i p : c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - e l : c u r r e n t e l e m e n t *
|
||
! * O U T P U T : *
|
||
! * - L p : p l a s t i c v e l o c i t y g r a d i e n t *
|
||
! * - d L p _ d T s t a r : d e r i v a t i v e o f L p ( 4 t h - r a n k t e n s o r ) *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
u s e p r e c , o n l y : p R e a l , p I n t , p _ v e c
|
||
u s e m a t h , o n l y : m a t h _ P l a i n 3 3 3 3 t o 9 9
|
||
u s e m e s h , o n l y : m e s h _ N c p E l e m s , m e s h _ m a x N i p s
|
||
u s e m a t e r i a l , o n l y : h o m o g e n i z a t i o n _ m a x N g r a i n s , m a t e r i a l _ p h a s e , p h a s e _ c o n s t i t u t i o n I n s t a n c e
|
||
u s e l a t t i c e , o n l y : l a t t i c e _ S s l i p , l a t t i c e _ S s l i p _ v , l a t t i c e _ S t w i n , l a t t i c e _ S t w i n _ v , l a t t i c e _ m a x N s l i p F a m i l y , l a t t i c e _ m a x N t w i n F a m i l y , &
|
||
l a t t i c e _ N s l i p S y s t e m , l a t t i c e _ N t w i n S y s t e m , l a t t i c e _ s h e a r T w i n
|
||
i m p l i c i t n o n e
|
||
|
||
! * I n p u t - O u t p u t v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , i n t e n t ( i n ) : : g , i p , e l
|
||
r e a l ( p R e a l ) , i n t e n t ( i n ) : : T e m p e r a t u r e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( 6 ) , i n t e n t ( i n ) : : T s t a r _ v
|
||
t y p e ( p _ v e c ) , d i m e n s i o n ( h o m o g e n i z a t i o n _ m a x N g r a i n s , m e s h _ m a x N i p s , m e s h _ N c p E l e m s ) , i n t e n t ( i n o u t ) : : s t a t e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( 3 , 3 ) , i n t e n t ( o u t ) : : L p
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( 9 , 9 ) , i n t e n t ( o u t ) : : d L p _ d T s t a r
|
||
! * L o c a l v a r i a b l e s
|
||
i n t e g e r ( p I n t ) m y I n s t a n c e , m y S t r u c t u r e , n s , n t , f , i , j , k , l , m , n , i n d e x _ m y F a m i l y
|
||
r e a l ( p R e a l ) s u m f , S t r e s s R a t i o _ p , S t r e s s R a t i o _ p m i n u s 1 , S t r e s s R a t i o _ r , B o l t z m a n n R a t i o , D o t G a m m a 0
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( 3 , 3 , 3 , 3 ) : : d L p _ d T s t a r 3 3 3 3
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) ) ) ) : : &
|
||
g d o t _ s l i p , d g d o t _ d t a u s l i p , t a u _ s l i p
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) ) ) ) : : &
|
||
g d o t _ t w i n , d g d o t _ d t a u t w i n , t a u _ t w i n
|
||
|
||
! * S h o r t e n e d n o t a t i o n
|
||
m y I n s t a n c e = p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) )
|
||
m y S t r u c t u r e = c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e ( m y I n s t a n c e )
|
||
n s = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( m y I n s t a n c e )
|
||
n t = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( m y I n s t a n c e )
|
||
|
||
! * T o t a l t w i n v o l u m e f r a c t i o n
|
||
s u m f = s u m ( s t a t e ( g , i p , e l ) % p ( ( 2 * n s + 1 ) : ( 2 * n s + n t ) ) ) ! s a f e f o r n t = = 0
|
||
|
||
L p = 0 . 0 _ p R e a l
|
||
d L p _ d T s t a r 3 3 3 3 = 0 . 0 _ p R e a l
|
||
d L p _ d T s t a r = 0 . 0 _ p R e a l
|
||
|
||
! * D i s l o c a t i o n g l i d e p a r t
|
||
g d o t _ s l i p = 0 . 0 _ p R e a l
|
||
d g d o t _ d t a u s l i p = 0 . 0 _ p R e a l
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N s l i p F a m i l y ! l o o p o v e r a l l s l i p f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) s l i p s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
|
||
! * C a l c u l a t i o n o f L p
|
||
! * R e s o l v e d s h e a r s t r e s s o n s l i p s y s t e m
|
||
t a u _ s l i p ( j ) = d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S s l i p _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) )
|
||
|
||
! * S t r e s s r a t i o s
|
||
S t r e s s R a t i o _ p = ( a b s ( t a u _ s l i p ( j ) ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * * c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e )
|
||
S t r e s s R a t i o _ p m i n u s 1 = ( a b s ( t a u _ s l i p ( j ) ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * * ( c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e ) - 1 . 0 _ p R e a l )
|
||
! * B o l t z m a n n r a t i o
|
||
B o l t z m a n n R a t i o = c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p S y s t e m ( f , m y I n s t a n c e ) / ( k B * T e m p e r a t u r e )
|
||
! * I n i t i a l s h e a r r a t e s
|
||
D o t G a m m a 0 = &
|
||
s t a t e ( g , i p , e l ) % p ( j ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) * &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p S y s t e m ( f , m y I n s t a n c e )
|
||
|
||
! * S h e a r r a t e s d u e t o s l i p
|
||
g d o t _ s l i p ( j ) = D o t G a m m a 0 * e x p ( - B o l t z m a n n R a t i o * ( 1 - S t r e s s R a t i o _ p ) * * c o n s t i t u t i v e _ d i s l o t w i n _ q ( m y I n s t a n c e ) ) * &
|
||
s i g n ( 1 . 0 _ p R e a l , t a u _ s l i p ( j ) )
|
||
|
||
! * D e r i v a t i v e s o f s h e a r r a t e s
|
||
d g d o t _ d t a u s l i p ( j ) = &
|
||
( ( a b s ( g d o t _ s l i p ( j ) ) * B o l t z m a n n R a t i o * &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ q ( m y I n s t a n c e ) ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * &
|
||
S t r e s s R a t i o _ p m i n u s 1 * ( 1 - S t r e s s R a t i o _ p ) * * ( c o n s t i t u t i v e _ d i s l o t w i n _ q ( m y I n s t a n c e ) - 1 . 0 _ p R e a l )
|
||
|
||
! * P l a s t i c v e l o c i t y g r a d i e n t f o r d i s l o c a t i o n g l i d e
|
||
L p = L p + ( 1 . 0 _ p R e a l - s u m f ) * g d o t _ s l i p ( j ) * l a t t i c e _ S s l i p ( : , : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e )
|
||
|
||
! * C a l c u l a t i o n o f t h e t a n g e n t o f L p
|
||
f o r a l l ( k = 1 : 3 , l = 1 : 3 , m = 1 : 3 , n = 1 : 3 ) &
|
||
d L p _ d T s t a r 3 3 3 3 ( k , l , m , n ) = &
|
||
d L p _ d T s t a r 3 3 3 3 ( k , l , m , n ) + d g d o t _ d t a u s l i p ( j ) * &
|
||
l a t t i c e _ S s l i p ( k , l , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) * &
|
||
l a t t i c e _ S s l i p ( m , n , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e )
|
||
e n d d o
|
||
e n d d o
|
||
|
||
! * M e c h a n i c a l t w i n n i n g p a r t
|
||
g d o t _ t w i n = 0 . 0 _ p R e a l
|
||
d g d o t _ d t a u t w i n = 0 . 0 _ p R e a l
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N t w i n F a m i l y ! l o o p o v e r a l l s l i p f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N t w i n S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) s l i p s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
|
||
! * C a l c u l a t i o n o f L p
|
||
! * R e s o l v e d s h e a r s t r e s s o n t w i n s y s t e m
|
||
t a u _ t w i n ( j ) = d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S t w i n _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) )
|
||
|
||
! * S t r e s s r a t i o s
|
||
S t r e s s R a t i o _ r = ( s t a t e ( g , i p , e l ) % p ( 6 * n s + 3 * n t + j ) / t a u _ t w i n ( j ) ) * * c o n s t i t u t i v e _ d i s l o t w i n _ r ( m y I n s t a n c e )
|
||
|
||
! * S h e a r r a t e s a n d t h e i r d e r i v a t i v e s d u e t o t w i n
|
||
i f ( t a u _ t w i n ( j ) > 0 . 0 _ p R e a l ) t h e n
|
||
g d o t _ t w i n ( j ) = &
|
||
( c o n s t i t u t i v e _ d i s l o t w i n _ M a x T w i n F r a c t i o n ( m y I n s t a n c e ) - s u m f ) * l a t t i c e _ s h e a r T w i n ( i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) * &
|
||
s t a t e ( g , i p , e l ) % p ( 6 * n s + 4 * n t + j ) * c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n S y s t e m ( f , m y I n s t a n c e ) * e x p ( - S t r e s s R a t i o _ r )
|
||
d g d o t _ d t a u t w i n ( j ) = ( ( g d o t _ t w i n ( j ) * c o n s t i t u t i v e _ d i s l o t w i n _ r ( m y I n s t a n c e ) ) / t a u _ t w i n ( j ) ) * S t r e s s R a t i o _ r
|
||
e n d i f
|
||
|
||
! * P l a s t i c v e l o c i t y g r a d i e n t f o r m e c h a n i c a l t w i n n i n g
|
||
L p = L p + g d o t _ t w i n ( j ) * l a t t i c e _ S t w i n ( : , : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e )
|
||
|
||
! * C a l c u l a t i o n o f t h e t a n g e n t o f L p
|
||
f o r a l l ( k = 1 : 3 , l = 1 : 3 , m = 1 : 3 , n = 1 : 3 ) &
|
||
d L p _ d T s t a r 3 3 3 3 ( k , l , m , n ) = &
|
||
d L p _ d T s t a r 3 3 3 3 ( k , l , m , n ) + d g d o t _ d t a u t w i n ( j ) * &
|
||
l a t t i c e _ S t w i n ( k , l , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) * &
|
||
l a t t i c e _ S t w i n ( m , n , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e )
|
||
e n d d o
|
||
e n d d o
|
||
|
||
d L p _ d T s t a r = m a t h _ P l a i n 3 3 3 3 t o 9 9 ( d L p _ d T s t a r 3 3 3 3 )
|
||
|
||
! i f ( ( i p = = 1 ) . a n d . ( e l = = 1 ) ) t h e n
|
||
! w r i t e ( 6 , * ) ' # L P / T A N G E N T # '
|
||
! w r i t e ( 6 , * )
|
||
! w r i t e ( 6 , * ) ' T s t a r _ v ' , T s t a r _ v
|
||
! w r i t e ( 6 , * ) ' t a u _ s l i p ' , t a u _ s l i p
|
||
! w r i t e ( 6 , ' ( a 1 0 , / , 4 ( 3 ( e 2 0 . 8 , x ) , / ) ) ' ) ' s t a t e ' , s t a t e ( 1 , 1 , 1 ) % p
|
||
! w r i t e ( 6 , ' ( a , / , 3 ( 3 ( f 1 0 . 4 , x ) / ) ) ' ) ' L p ' , L p
|
||
! w r i t e ( 6 , ' ( a , / , 9 ( 9 ( f 1 0 . 4 , x ) / ) ) ' ) ' d L p _ d T s t a r ' , d L p _ d T s t a r
|
||
! e n d i f
|
||
|
||
r e t u r n
|
||
e n d s u b r o u t i n e
|
||
|
||
|
||
f u n c t i o n c o n s t i t u t i v e _ d i s l o t w i n _ d o t S t a t e ( T s t a r _ v , T e m p e r a t u r e , s t a t e , g , i p , e l )
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * r a t e o f c h a n g e o f m i c r o s t r u c t u r e *
|
||
! * I N P U T : *
|
||
! * - T e m p e r a t u r e : t e m p e r a t u r e *
|
||
! * - s t a t e : m i c r o s t r u c t u r e q u a n t i t i e s *
|
||
! * - T s t a r _ v : 2 n d P i o l a K i r c h h o f f s t r e s s t e n s o r ( M a n d e l ) *
|
||
! * - i p c : c o m p o n e n t - I D a t c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - i p : c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - e l : c u r r e n t e l e m e n t *
|
||
! * O U T P U T : *
|
||
! * - c o n s t i t u t i v e _ d o t S t a t e : e v o l u t i o n o f s t a t e v a r i a b l e *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
u s e p r e c , o n l y : p R e a l , p I n t , p _ v e c
|
||
|
||
u s e m a t h , o n l y : p i
|
||
u s e m e s h , o n l y : m e s h _ N c p E l e m s , m e s h _ m a x N i p s
|
||
u s e m a t e r i a l , o n l y : h o m o g e n i z a t i o n _ m a x N g r a i n s , m a t e r i a l _ p h a s e , p h a s e _ c o n s t i t u t i o n I n s t a n c e
|
||
u s e l a t t i c e , o n l y : l a t t i c e _ S s l i p , l a t t i c e _ S s l i p _ v , &
|
||
l a t t i c e _ S t w i n , l a t t i c e _ S t w i n _ v , &
|
||
l a t t i c e _ m a x N s l i p F a m i l y , l a t t i c e _ m a x N t w i n F a m i l y , &
|
||
l a t t i c e _ N s l i p S y s t e m , l a t t i c e _ N t w i n S y s t e m , &
|
||
l a t t i c e _ s h e a r T w i n
|
||
i m p l i c i t n o n e
|
||
|
||
! * I n p u t - O u t p u t v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , i n t e n t ( i n ) : : g , i p , e l
|
||
r e a l ( p R e a l ) , i n t e n t ( i n ) : : T e m p e r a t u r e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( 6 ) , i n t e n t ( i n ) : : T s t a r _ v
|
||
t y p e ( p _ v e c ) , d i m e n s i o n ( h o m o g e n i z a t i o n _ m a x N g r a i n s , m e s h _ m a x N i p s , m e s h _ N c p E l e m s ) , i n t e n t ( i n ) : : s t a t e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ s i z e D o t S t a t e ( p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) ) ) ) : : &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ d o t S t a t e
|
||
! * L o c a l v a r i a b l e s
|
||
i n t e g e r ( p I n t ) M y I n s t a n c e , M y S t r u c t u r e , n s , n t , f , i , j , i n d e x _ m y F a m i l y
|
||
r e a l ( p R e a l ) s u m f , S t r e s s R a t i o _ p , S t r e s s R a t i o _ p m i n u s 1 , B o l t z m a n n R a t i o , D o t G a m m a 0 , &
|
||
E d g e D i p M i n D i s t a n c e , A t o m i c V o l u m e , V a c a n c y D i f f u s i o n , S t r e s s R a t i o _ r
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) ) ) ) : : &
|
||
g d o t _ s l i p , t a u _ s l i p , D o t R h o M u l t i p l i c a t i o n , E d g e D i p D i s t a n c e , D o t R h o E d g e E d g e A n n i h i l a t i o n , D o t R h o E d g e D i p A n n i h i l a t i o n , &
|
||
|
||
C l i m b V e l o c i t y , D o t R h o E d g e D i p C l i m b , D o t R h o D i p F o r m a t i o n
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) ) ) ) : : &
|
||
t a u _ t w i n
|
||
|
||
! * S h o r t e n e d n o t a t i o n
|
||
m y I n s t a n c e = p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) )
|
||
M y S t r u c t u r e = c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e ( m y I n s t a n c e )
|
||
n s = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( m y I n s t a n c e )
|
||
n t = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( m y I n s t a n c e )
|
||
|
||
! * T o t a l t w i n v o l u m e f r a c t i o n
|
||
s u m f = s u m ( s t a t e ( g , i p , e l ) % p ( ( 2 * n s + 1 ) : ( 2 * n s + n t ) ) ) ! s a f e f o r n t = = 0
|
||
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ d o t S t a t e = 0 . 0 _ p R e a l
|
||
|
||
! * D i s l o c a t i o n d e n s i t y e v o l u t i o n
|
||
g d o t _ s l i p = 0 . 0 _ p R e a l
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N s l i p F a m i l y ! l o o p o v e r a l l s l i p f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : f - 1 , M y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) s l i p s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
|
||
|
||
! * R e s o l v e d s h e a r s t r e s s o n s l i p s y s t e m
|
||
t a u _ s l i p ( j ) = d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S s l i p _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) )
|
||
! * S t r e s s r a t i o s
|
||
S t r e s s R a t i o _ p = ( a b s ( t a u _ s l i p ( j ) ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * * c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e )
|
||
S t r e s s R a t i o _ p m i n u s 1 = ( a b s ( t a u _ s l i p ( j ) ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * * ( c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e ) - 1 . 0 _ p R e a l )
|
||
! * B o l t z m a n n r a t i o
|
||
B o l t z m a n n R a t i o = c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p S y s t e m ( f , m y I n s t a n c e ) / ( k B * T e m p e r a t u r e )
|
||
! * I n i t i a l s h e a r r a t e s
|
||
D o t G a m m a 0 = &
|
||
s t a t e ( g , i p , e l ) % p ( j ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) * &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p S y s t e m ( f , m y I n s t a n c e )
|
||
|
||
! * S h e a r r a t e s d u e t o s l i p
|
||
g d o t _ s l i p ( j ) = D o t G a m m a 0 * e x p ( - B o l t z m a n n R a t i o * ( 1 - S t r e s s R a t i o _ p ) * * c o n s t i t u t i v e _ d i s l o t w i n _ q ( m y I n s t a n c e ) ) * &
|
||
s i g n ( 1 . 0 _ p R e a l , t a u _ s l i p ( j ) )
|
||
|
||
! * M u l t i p l i c a t i o n
|
||
D o t R h o M u l t i p l i c a t i o n ( j ) = a b s ( g d o t _ s l i p ( j ) ) / &
|
||
( c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) * s t a t e ( g , i p , e l ) % p ( 4 * n s + 2 * n t + j ) )
|
||
|
||
! * D i p o l e f o r m a t i o n
|
||
E d g e D i p M i n D i s t a n c e = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C E d g e D i p M i n D i s t a n c e ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e )
|
||
i f ( t a u _ s l i p ( j ) = = 0 . 0 _ p R e a l ) t h e n
|
||
D o t R h o D i p F o r m a t i o n ( j ) = 0 . 0 _ p R e a l
|
||
e l s e
|
||
E d g e D i p D i s t a n c e ( j ) = &
|
||
( 3 . 0 _ p R e a l * c o n s t i t u t i v e _ d i s l o t w i n _ G m o d ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) ) / &
|
||
( 1 6 . 0 _ p R e a l * p i * a b s ( t a u _ s l i p ( j ) ) )
|
||
i f ( E d g e D i p D i s t a n c e ( j ) > s t a t e ( g , i p , e l ) % p ( 4 * n s + 2 * n t + j ) ) E d g e D i p D i s t a n c e ( j ) = s t a t e ( g , i p , e l ) % p ( 4 * n s + 2 * n t + j )
|
||
i f ( E d g e D i p D i s t a n c e ( j ) < E d g e D i p M i n D i s t a n c e ) E d g e D i p D i s t a n c e ( j ) = E d g e D i p M i n D i s t a n c e
|
||
D o t R h o D i p F o r m a t i o n ( j ) = &
|
||
( ( 2 . 0 _ p R e a l * E d g e D i p D i s t a n c e ( j ) ) / c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) ) * &
|
||
s t a t e ( g , i p , e l ) % p ( j ) * a b s ( g d o t _ s l i p ( j ) )
|
||
e n d i f
|
||
|
||
! * S p o n t a n e o u s a n n i h i l a t i o n o f 2 s i n g l e e d g e d i s l o c a t i o n s
|
||
D o t R h o E d g e E d g e A n n i h i l a t i o n ( j ) = &
|
||
( ( 2 . 0 _ p R e a l * E d g e D i p M i n D i s t a n c e ) / c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) ) * &
|
||
s t a t e ( g , i p , e l ) % p ( j ) * a b s ( g d o t _ s l i p ( j ) )
|
||
|
||
! * S p o n t a n e o u s a n n i h i l a t i o n o f a s i n g l e e d g e d i s l o c a t i o n w i t h a d i p o l e c o n s t i t u e n t
|
||
D o t R h o E d g e D i p A n n i h i l a t i o n ( j ) = &
|
||
( ( 2 . 0 _ p R e a l * E d g e D i p M i n D i s t a n c e ) / c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) ) * &
|
||
s t a t e ( g , i p , e l ) % p ( n s + j ) * a b s ( g d o t _ s l i p ( j ) )
|
||
|
||
! * D i s l o c a t i o n d i p o l e c l i m b
|
||
A t o m i c V o l u m e = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ C A t o m i c V o l u m e ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) * * ( 3 . 0 _ p R e a l )
|
||
V a c a n c y D i f f u s i o n = &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ D 0 ( m y I n s t a n c e ) * e x p ( - c o n s t i t u t i v e _ d i s l o t w i n _ Q s d ( m y I n s t a n c e ) / ( k B * T e m p e r a t u r e ) )
|
||
i f ( t a u _ s l i p ( j ) = = 0 . 0 _ p R e a l ) t h e n
|
||
D o t R h o E d g e D i p C l i m b ( j ) = 0 . 0 _ p R e a l
|
||
e l s e
|
||
C l i m b V e l o c i t y ( j ) = &
|
||
( ( 3 . 0 _ p R e a l * c o n s t i t u t i v e _ d i s l o t w i n _ G m o d ( m y I n s t a n c e ) * V a c a n c y D i f f u s i o n * A t o m i c V o l u m e ) / ( 2 . 0 _ p R e a l * p i * k B * T e m p e r a t u r e ) ) * &
|
||
( 1 / ( E d g e D i p D i s t a n c e ( j ) + E d g e D i p M i n D i s t a n c e ) )
|
||
D o t R h o E d g e D i p C l i m b ( j ) = &
|
||
( 4 . 0 _ p R e a l * C l i m b V e l o c i t y ( j ) * s t a t e ( g , i p , e l ) % p ( n s + j ) ) / ( E d g e D i p D i s t a n c e ( j ) - E d g e D i p M i n D i s t a n c e )
|
||
e n d i f
|
||
|
||
! * E d g e d i s l o c a t i o n d e n s i t y r a t e o f c h a n g e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ d o t S t a t e ( j ) = &
|
||
D o t R h o M u l t i p l i c a t i o n ( j ) - D o t R h o D i p F o r m a t i o n ( j ) - D o t R h o E d g e E d g e A n n i h i l a t i o n ( j )
|
||
|
||
! * E d g e d i s l o c a t i o n d i p o l e d e n s i t y r a t e o f c h a n g e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ d o t S t a t e ( n s + j ) = &
|
||
D o t R h o D i p F o r m a t i o n ( j ) - D o t R h o E d g e D i p A n n i h i l a t i o n ( j ) - D o t R h o E d g e D i p C l i m b ( j )
|
||
|
||
e n d d o
|
||
e n d d o
|
||
|
||
! * T w i n v o l u m e f r a c t i o n e v o l u t i o n
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N t w i n F a m i l y ! l o o p o v e r a l l t w i n f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N t w i n S y s t e m ( 1 : f - 1 , M y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) t w i n s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
|
||
! * R e s o l v e d s h e a r s t r e s s o n t w i n s y s t e m
|
||
t a u _ t w i n ( j ) = d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S t w i n _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) )
|
||
! * S t r e s s r a t i o s
|
||
S t r e s s R a t i o _ r = ( s t a t e ( g , i p , e l ) % p ( 6 * n s + 3 * n t + j ) / t a u _ t w i n ( j ) ) * * c o n s t i t u t i v e _ d i s l o t w i n _ r ( m y I n s t a n c e )
|
||
|
||
! * S h e a r r a t e s a n d t h e i r d e r i v a t i v e s d u e t o t w i n
|
||
i f ( t a u _ t w i n ( j ) > 0 . 0 _ p R e a l ) t h e n
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ d o t S t a t e ( 2 * n s + j ) = &
|
||
( c o n s t i t u t i v e _ d i s l o t w i n _ M a x T w i n F r a c t i o n ( m y I n s t a n c e ) - s u m f ) * &
|
||
s t a t e ( g , i p , e l ) % p ( 6 * n s + 4 * n t + j ) * c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n S y s t e m ( f , m y I n s t a n c e ) * e x p ( - S t r e s s R a t i o _ r )
|
||
e n d i f
|
||
|
||
e n d d o
|
||
e n d d o
|
||
|
||
! w r i t e ( 6 , * ) ' # D O T S T A T E # '
|
||
! w r i t e ( 6 , * )
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' t a u s l i p ' , t a u _ s l i p
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' g a m m a s l i p ' , g d o t _ s l i p
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' R h o E d g e ' , s t a t e ( g , i p , e l ) % p ( 1 : n s )
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' T h r e s h o l d S l i p ' , s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + 1 : 6 * n s + 3 * n t )
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' M u l t i p l i c a t i o n ' , D o t R h o M u l t i p l i c a t i o n
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' D i p F o r m a t i o n ' , D o t R h o D i p F o r m a t i o n
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' S i n g l e S i n g l e ' , D o t R h o E d g e E d g e A n n i h i l a t i o n
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' S i n g l e D i p o l e ' , D o t R h o E d g e D i p A n n i h i l a t i o n
|
||
! w r i t e ( 6 , ' ( a , / , 4 ( 3 ( f 3 0 . 2 0 , x ) / ) ) ' ) ' D i p C l i m b ' , D o t R h o E d g e D i p C l i m b
|
||
|
||
r e t u r n
|
||
e n d f u n c t i o n
|
||
|
||
|
||
p u r e f u n c t i o n c o n s t i t u t i v e _ d i s l o t w i n _ d o t T e m p e r a t u r e ( T s t a r _ v , T e m p e r a t u r e , s t a t e , g , i p , e l )
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * r a t e o f c h a n g e o f m i c r o s t r u c t u r e *
|
||
! * I N P U T : *
|
||
! * - T e m p e r a t u r e : t e m p e r a t u r e *
|
||
! * - T s t a r _ v : 2 n d P i o l a K i r c h h o f f s t r e s s t e n s o r ( M a n d e l ) *
|
||
! * - i p c : c o m p o n e n t - I D a t c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - i p : c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - e l : c u r r e n t e l e m e n t *
|
||
! * O U T P U T : *
|
||
! * - c o n s t i t u t i v e _ d o t T e m p e r a t u r e : e v o l u t i o n o f T e m p e r a t u r e *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
u s e p r e c , o n l y : p R e a l , p I n t , p _ v e c
|
||
u s e m e s h , o n l y : m e s h _ N c p E l e m s , m e s h _ m a x N i p s
|
||
u s e m a t e r i a l , o n l y : h o m o g e n i z a t i o n _ m a x N g r a i n s
|
||
i m p l i c i t n o n e
|
||
|
||
! * I n p u t - O u t p u t v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , i n t e n t ( i n ) : : g , i p , e l
|
||
r e a l ( p R e a l ) , i n t e n t ( i n ) : : T e m p e r a t u r e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( 6 ) , i n t e n t ( i n ) : : T s t a r _ v
|
||
t y p e ( p _ v e c ) , d i m e n s i o n ( h o m o g e n i z a t i o n _ m a x N g r a i n s , m e s h _ m a x N i p s , m e s h _ N c p E l e m s ) , i n t e n t ( i n ) : : s t a t e
|
||
r e a l ( p R e a l ) c o n s t i t u t i v e _ d i s l o t w i n _ d o t T e m p e r a t u r e
|
||
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ d o t T e m p e r a t u r e = 0 . 0 _ p R e a l
|
||
|
||
r e t u r n
|
||
e n d f u n c t i o n
|
||
|
||
|
||
p u r e f u n c t i o n c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( T s t a r _ v , T e m p e r a t u r e , d t , s t a t e , g , i p , e l )
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
! * r e t u r n a r r a y o f c o n s t i t u t i v e r e s u l t s *
|
||
! * I N P U T : *
|
||
! * - T e m p e r a t u r e : t e m p e r a t u r e *
|
||
! * - T s t a r _ v : 2 n d P i o l a K i r c h h o f f s t r e s s t e n s o r ( M a n d e l ) *
|
||
! * - d t : c u r r e n t t i m e i n c r e m e n t *
|
||
! * - i p c : c o m p o n e n t - I D a t c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - i p : c u r r e n t i n t e g r a t i o n p o i n t *
|
||
! * - e l : c u r r e n t e l e m e n t *
|
||
! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
|
||
u s e p r e c , o n l y : p R e a l , p I n t , p _ v e c
|
||
u s e m a t h , o n l y : p i
|
||
u s e m e s h , o n l y : m e s h _ N c p E l e m s , m e s h _ m a x N i p s
|
||
u s e m a t e r i a l , o n l y : h o m o g e n i z a t i o n _ m a x N g r a i n s , m a t e r i a l _ p h a s e , p h a s e _ c o n s t i t u t i o n I n s t a n c e , p h a s e _ N o u t p u t
|
||
u s e l a t t i c e , o n l y : l a t t i c e _ S s l i p _ v , l a t t i c e _ S t w i n _ v , l a t t i c e _ m a x N s l i p F a m i l y , l a t t i c e _ m a x N t w i n F a m i l y , &
|
||
l a t t i c e _ N s l i p S y s t e m , l a t t i c e _ N t w i n S y s t e m , l a t t i c e _ s h e a r T w i n
|
||
i m p l i c i t n o n e
|
||
|
||
! * D e f i n i t i o n o f v a r i a b l e s
|
||
i n t e g e r ( p I n t ) , i n t e n t ( i n ) : : g , i p , e l
|
||
r e a l ( p R e a l ) , i n t e n t ( i n ) : : d t , T e m p e r a t u r e
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( 6 ) , i n t e n t ( i n ) : : T s t a r _ v
|
||
t y p e ( p _ v e c ) , d i m e n s i o n ( h o m o g e n i z a t i o n _ m a x N g r a i n s , m e s h _ m a x N i p s , m e s h _ N c p E l e m s ) , i n t e n t ( i n ) : : s t a t e
|
||
i n t e g e r ( p I n t ) m y I n s t a n c e , m y S t r u c t u r e , n s , n t , f , o , i , c , j , i n d e x _ m y F a m i l y
|
||
r e a l ( p R e a l ) s u m f , t a u , S t r e s s R a t i o _ p , S t r e s s R a t i o _ p m i n u s 1 , B o l t z m a n n R a t i o , D o t G a m m a 0 , S t r e s s R a t i o _ r , g d o t _ s l i p , d g d o t _ d t a u s l i p
|
||
r e a l ( p R e a l ) , d i m e n s i o n ( c o n s t i t u t i v e _ d i s l o t w i n _ s i z e P o s t R e s u l t s ( p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) ) ) ) : : &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s
|
||
|
||
! * S h o r t e n e d n o t a t i o n
|
||
m y I n s t a n c e = p h a s e _ c o n s t i t u t i o n I n s t a n c e ( m a t e r i a l _ p h a s e ( g , i p , e l ) )
|
||
m y S t r u c t u r e = c o n s t i t u t i v e _ d i s l o t w i n _ s t r u c t u r e ( m y I n s t a n c e )
|
||
n s = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N s l i p ( m y I n s t a n c e )
|
||
n t = c o n s t i t u t i v e _ d i s l o t w i n _ t o t a l N t w i n ( m y I n s t a n c e )
|
||
|
||
! * T o t a l t w i n v o l u m e f r a c t i o n
|
||
s u m f = s u m ( s t a t e ( g , i p , e l ) % p ( ( 2 * n s + 1 ) : ( 2 * n s + n t ) ) ) ! s a f e f o r n t = = 0
|
||
|
||
! * R e q u i r e d o u t p u t
|
||
c = 0 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s = 0 . 0 _ p R e a l
|
||
|
||
d o o = 1 , p h a s e _ N o u t p u t ( m a t e r i a l _ p h a s e ( g , i p , e l ) )
|
||
s e l e c t c a s e ( c o n s t i t u t i v e _ d i s l o t w i n _ o u t p u t ( o , m y I n s t a n c e ) )
|
||
|
||
c a s e ( ' e d g e _ d e n s i t y ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + 1 : c + n s ) = s t a t e ( g , i p , e l ) % p ( 1 : n s )
|
||
c = c + n s
|
||
c a s e ( ' d i p o l e _ d e n s i t y ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + 1 : c + n s ) = s t a t e ( g , i p , e l ) % p ( n s + 1 : 2 * n s )
|
||
c = c + n s
|
||
c a s e ( ' s h e a r _ r a t e _ s l i p ' )
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N s l i p F a m i l y ! l o o p o v e r a l l s l i p f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) s l i p s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
|
||
! * R e s o l v e d s h e a r s t r e s s o n s l i p s y s t e m
|
||
t a u = d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S s l i p _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) )
|
||
! * S t r e s s r a t i o s
|
||
S t r e s s R a t i o _ p = ( a b s ( t a u ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * * c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e )
|
||
S t r e s s R a t i o _ p m i n u s 1 = ( a b s ( t a u ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * * ( c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e ) - 1 . 0 _ p R e a l )
|
||
! * B o l t z m a n n r a t i o
|
||
B o l t z m a n n R a t i o = c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p S y s t e m ( f , m y I n s t a n c e ) / ( k B * T e m p e r a t u r e )
|
||
! * I n i t i a l s h e a r r a t e s
|
||
D o t G a m m a 0 = &
|
||
s t a t e ( g , i p , e l ) % p ( j ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) * &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p S y s t e m ( f , m y I n s t a n c e )
|
||
|
||
! * S h e a r r a t e s d u e t o s l i p
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) = &
|
||
D o t G a m m a 0 * e x p ( - B o l t z m a n n R a t i o * ( 1 - S t r e s s R a t i o _ p ) * * c o n s t i t u t i v e _ d i s l o t w i n _ q ( m y I n s t a n c e ) ) * s i g n ( 1 . 0 _ p R e a l , t a u )
|
||
e n d d o ; e n d d o
|
||
c = c + n s
|
||
c a s e ( ' m f p _ s l i p ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + 1 : c + n s ) = s t a t e ( g , i p , e l ) % p ( ( 4 * n s + 2 * n t + 1 ) : ( 5 * n s + 2 * n t ) )
|
||
c = c + n s
|
||
c a s e ( ' r e s o l v e d _ s t r e s s _ s l i p ' )
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N s l i p F a m i l y ! l o o p o v e r a l l s l i p f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) s l i p s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) = d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S s l i p _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) )
|
||
e n d d o ; e n d d o
|
||
c = c + n s
|
||
c a s e ( ' t h r e s h o l d _ s t r e s s _ s l i p ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + 1 : c + n s ) = s t a t e ( g , i p , e l ) % p ( ( 5 * n s + 3 * n t + 1 ) : ( 6 * n s + 3 * n t ) )
|
||
c = c + n s
|
||
c a s e ( ' e d g e _ d i p o l e _ d i s t a n c e ' )
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N s l i p F a m i l y ! l o o p o v e r a l l s l i p f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) s l i p s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) = &
|
||
( 3 . 0 _ p R e a l * c o n s t i t u t i v e _ d i s l o t w i n _ G m o d ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) ) / &
|
||
( 1 6 . 0 _ p R e a l * p i * a b s ( d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S s l i p _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) ) ) )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) = m i n ( c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) , s t a t e ( g , i p , e l ) % p ( 4 * n s + 2 * n t + j ) )
|
||
! c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) = m a x ( c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) , s t a t e ( g , i p , e l ) % p ( 4 * n s + 2 * n t + j ) )
|
||
e n d d o ; e n d d o
|
||
c = c + n s
|
||
c a s e ( ' t w i n _ f r a c t i o n ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + 1 : c + n t ) = s t a t e ( g , i p , e l ) % p ( ( 2 * n s + 1 ) : ( 2 * n s + n t ) )
|
||
c = c + n t
|
||
c a s e ( ' s h e a r _ r a t e _ t w i n ' )
|
||
i f ( n t > 0 _ p I n t ) t h e n
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N t w i n F a m i l y ! l o o p o v e r a l l t w i n f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N t w i n S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) t w i n s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
|
||
! * R e s o l v e d s h e a r s t r e s s o n t w i n s y s t e m
|
||
t a u = d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S t w i n _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) )
|
||
! * S t r e s s r a t i o s
|
||
S t r e s s R a t i o _ r = ( s t a t e ( g , i p , e l ) % p ( 6 * n s + 3 * n t + j ) / t a u ) * * c o n s t i t u t i v e _ d i s l o t w i n _ r ( m y I n s t a n c e )
|
||
|
||
! * S h e a r r a t e s a n d t h e i r d e r i v a t i v e s d u e t o t w i n
|
||
i f ( t a u > 0 . 0 _ p R e a l ) t h e n
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) = &
|
||
( c o n s t i t u t i v e _ d i s l o t w i n _ M a x T w i n F r a c t i o n ( m y I n s t a n c e ) - s u m f ) * &
|
||
s t a t e ( g , i p , e l ) % p ( 6 * n s + 4 * n t + j ) * c o n s t i t u t i v e _ d i s l o t w i n _ N d o t 0 P e r T w i n S y s t e m ( f , m y I n s t a n c e ) * e x p ( - S t r e s s R a t i o _ r )
|
||
e n d i f
|
||
|
||
e n d d o ; e n d d o
|
||
e n d i f
|
||
c = c + n t
|
||
c a s e ( ' m f p _ t w i n ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + 1 : c + n t ) = s t a t e ( g , i p , e l ) % p ( ( 5 * n s + 2 * n t + 1 ) : ( 5 * n s + 3 * n t ) )
|
||
c = c + n t
|
||
c a s e ( ' r e s o l v e d _ s t r e s s _ t w i n ' )
|
||
i f ( n t > 0 _ p I n t ) t h e n
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N t w i n F a m i l y ! l o o p o v e r a l l s l i p f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N t w i n S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N t w i n ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) s l i p s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) = d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S t w i n _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) )
|
||
e n d d o ; e n d d o
|
||
e n d i f
|
||
c = c + n t
|
||
c a s e ( ' t h r e s h o l d _ s t r e s s _ t w i n ' )
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + 1 : c + n t ) = s t a t e ( g , i p , e l ) % p ( ( 6 * n s + 3 * n t + 1 ) : ( 6 * n s + 4 * n t ) )
|
||
c = c + n t
|
||
c a s e ( ' s t r e s s _ e x p o n e n t ' )
|
||
j = 0 _ p I n t
|
||
d o f = 1 , l a t t i c e _ m a x N s l i p F a m i l y ! l o o p o v e r a l l s l i p f a m i l i e s
|
||
i n d e x _ m y F a m i l y = s u m ( l a t t i c e _ N s l i p S y s t e m ( 1 : f - 1 , m y S t r u c t u r e ) ) ! a t w h i c h i n d e x s t a r t s m y f a m i l y
|
||
d o i = 1 , c o n s t i t u t i v e _ d i s l o t w i n _ N s l i p ( f , m y I n s t a n c e ) ! p r o c e s s e a c h ( a c t i v e ) s l i p s y s t e m i n f a m i l y
|
||
j = j + 1 _ p I n t
|
||
|
||
! * R e s o l v e d s h e a r s t r e s s o n s l i p s y s t e m
|
||
t a u = d o t _ p r o d u c t ( T s t a r _ v , l a t t i c e _ S s l i p _ v ( : , i n d e x _ m y F a m i l y + i , m y S t r u c t u r e ) )
|
||
! * S t r e s s r a t i o s
|
||
S t r e s s R a t i o _ p = ( a b s ( t a u ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * * c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e )
|
||
S t r e s s R a t i o _ p m i n u s 1 = ( a b s ( t a u ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * * ( c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e ) - 1 . 0 _ p R e a l )
|
||
! * B o l t z m a n n r a t i o
|
||
B o l t z m a n n R a t i o = c o n s t i t u t i v e _ d i s l o t w i n _ Q e d g e P e r S l i p S y s t e m ( f , m y I n s t a n c e ) / ( k B * T e m p e r a t u r e )
|
||
! * I n i t i a l s h e a r r a t e s
|
||
D o t G a m m a 0 = &
|
||
s t a t e ( g , i p , e l ) % p ( j ) * c o n s t i t u t i v e _ d i s l o t w i n _ b u r g e r s P e r S l i p S y s t e m ( f , m y I n s t a n c e ) * &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ v 0 P e r S l i p S y s t e m ( f , m y I n s t a n c e )
|
||
|
||
! * S h e a r r a t e s d u e t o s l i p
|
||
g d o t _ s l i p = &
|
||
D o t G a m m a 0 * e x p ( - B o l t z m a n n R a t i o * ( 1 - S t r e s s R a t i o _ p ) * * c o n s t i t u t i v e _ d i s l o t w i n _ q ( m y I n s t a n c e ) ) * s i g n ( 1 . 0 _ p R e a l , t a u )
|
||
|
||
! * D e r i v a t i v e s o f s h e a r r a t e s
|
||
d g d o t _ d t a u s l i p = &
|
||
( ( a b s ( g d o t _ s l i p ) * B o l t z m a n n R a t i o * &
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p ( m y I n s t a n c e ) * c o n s t i t u t i v e _ d i s l o t w i n _ q ( m y I n s t a n c e ) ) / s t a t e ( g , i p , e l ) % p ( 5 * n s + 3 * n t + j ) ) * &
|
||
S t r e s s R a t i o _ p m i n u s 1 * ( 1 - S t r e s s R a t i o _ p ) * * ( c o n s t i t u t i v e _ d i s l o t w i n _ q ( m y I n s t a n c e ) - 1 . 0 _ p R e a l )
|
||
|
||
! * S t r e s s e x p o n e n t
|
||
i f ( g d o t _ s l i p = = 0 . 0 _ p R e a l ) t h e n
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) = 0 . 0 _ p R e a l
|
||
e l s e
|
||
c o n s t i t u t i v e _ d i s l o t w i n _ p o s t R e s u l t s ( c + j ) = ( t a u / g d o t _ s l i p ) * d g d o t _ d t a u s l i p
|
||
e n d i f
|
||
e n d d o ; e n d d o
|
||
c = c + n s
|
||
|
||
e n d s e l e c t
|
||
e n d d o
|
||
|
||
r e t u r n
|
||
e n d f u n c t i o n
|
||
|
||
E N D M O D U L E
|
||
|