fonseca i., leoni g. - bulk and contact energies nucleation and relaxation(1999)(30).ps
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S I A M J . M A T H . A N A L .
c
1 9 9 9 S o c i e t y f o r I n d u s t r i a l a n d A p p l i e d M a t h e m a t i c s
V o l . 3 0 , N o . 1 , p p . 1 9 0 { 2 1 9 , F e b r u a r y 1 9 9 9 0 0 2
B u l k a n d c o n t a c t e n e r g i e s :
N u c l e a t i o n a n d r e l a x a t i o n
I r e n e F o n s e c a
y
a n d G i o v a n n i L e o n i
z
A b s t r a c t . A n i n t e g r a l r e p r e s e n t a t i o n f o r m u l a i n B V ( ; R
p
) f o r t h e r e l a x a t i o n H ( u ; ) w i t h
r e s p e c t t o t h e L
1
t o p o l o g y o f f u n c t i o n a l s o f t h e g e n e r a l f o r m
H ( u ; ) : =
Z
h ( x ; u ( x ) ; r u ( x ) ) d x +
Z
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( x ; T u ( x ) ) d H
N 1
( x ) ; u 2 W
1 ; 1
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) ;
i s o b t a i n e d . H e r e R
N
i s a n o p e n , b o u n d e d s e t o f c l a s s C
2
, T i s t h e t r a c e o p e r a t o r o n @ a n d
H
N 1
i s t h e N 1 d i m e n s i o n a l H a u s d o r m e a s u r e . T h e m a i n h y p o t h e s e s o n t h e f u n c t i o n s h a n d a r e
t h a t h ( x ; u ; ) i s q u a s i c o n v e x a n d h a s l i n e a r g r o w t h , a n d t h a t ( x ; ) i s L i p s c h i t z . T h e u n d e r s t a n d i n g
o f n u c l e a t i o n p h e n o m e n a f o r m a t e r i a l s u n d e r g o i n g p h a s e t r a n s i t i o n s l e a d s t o t h e s t u d y o f c o n s t r a i n e d
m i n i m i z a t i o n p r o b l e m s o f t h e t y p e
i n f
H ( u ; ) +
Z
( x ; u ( x ) ) d x : u 2 B V ( ; K )
;
w h e r e K i s a n o n e m p t y c o m p a c t s u b s e t o f R
p
, a n d : K ! R i s a c o n t i n u o u s f u n c t i o n . I t
i s s h o w n t h a t i f ( x ; ) i s a d o u b l e w e l l p o t e n t i a l v a n i s h i n g o n l y a t a n d , t h e n m i n i m i z e r s u o f
t h e t o t a l e n e r g y a r e g i v e n b y p u r e p h a s e s , t h a t i s , t h e r e e x i s t s
u
s u c h t h a t u ( x ) = f o r L
N
a . e . x 2
u
( l i q u i d ) a n d u ( x ) = f o r L
N
a . e . x 2 n
u
( s o l i d ) . T h i s c o n c l u s i o n i s c l o s e l y r e l a t e d
t o r e s u l t s p r e v i o u s l y o b t a i n e d b y V i s i n t i n , a n d w h e r e t h e i n t e r f a c i a l e n e r g y i s a s s u m e d t o s a t i s f y a
g e n e r a l i z e d c o - a r e a f o r m u l a . H e r e t h i s c o n d i t i o n i s r e p l a c e d b y a p r o p e r t y w h i c h m a y b e v e r i e d b y
e n e r g i e s f o r w h i c h t h e c o - a r e a f o r m u l a m i g h t n o t h o l d .
K e y w o r d s . f u n c t i o n s o f b o u n d e d v a r i a t i o n , n u c l e a t i o n , r e l a x a t i o n , b u l k a n d c o n t a c t e n e r g i e s ,
g e n e r a l i z e d c o - a r e a f o r m u l a
A M S s u b j e c t c l a s s i c a t i o n s . 4 9 J 4 5 , 4 9 Q 2 0 , 4 9 N 6 0 , 7 3 T 0 5 , 7 3 V 3 0
1 . I n t r o d u c t i o n .
T h i s p a p e r i s d i v i d e d i n t o t w o p a r t s . I n t h e r s t p a r t w e o b t a i n a n i n t e g r a l
r e p r e s e n t a t i o n f o r m u l a i n B V ( ; R
p
) f o r t h e r e l a x a t i o n H ( u ; ) w i t h r e s p e c t t o t h e
L
1
t o p o l o g y o f f u n c t i o n a l s o f t h e g e n e r a l f o r m
( 1 . 1 )
H ( u ; ) : =
Z
h ( x ; u ( x ) ; r u ( x ) ) d x +
Z
@
( x ; T u ( x ) ) d H
N 1
( x ) ; u 2 W
1 ; 1
( ; R
p
) ;
w h e r e R
N
i s a n o p e n , b o u n d e d s e t o f c l a s s C
2
, T i s t h e t r a c e o p e r a t o r o n @
a n d H
N 1
i s t h e N 1 d i m e n s i o n a l H a u s d o r m e a s u r e . T h e m a i n h y p o t h e s e s o n t h e
f u n c t i o n s h a n d a r e t h a t h ( x ; u ; ) i s q u a s i c o n v e x a n d h a s l i n e a r g r o w t h , a n d t h a t
( x ; ) i s L i p s c h i t z .
y
D e p a r t m e n t o f M a t h e m a t i c a l S c i e n c e s , C a r n e g i e M e l l o n U n i v e r s i t y , P i t t s b u r g h , P A 1 5 2 1 3
z
C e n t e r f o r N o n l i n e a r A n a l y s i s , C a r n e g i e M e l l o n U n i v e r s i t y , P i t t s b u r g h , P A 1 5 2 1 3 a n d D e -
p a r t m e n t o f M a t h e m a t i c s , U n i v e r s i t y o f P e r u g i a , P e r u g i a , I t a l y 0 6 1 2 3 .
1 9 0
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n u c l e a t i o n a n d r e l a x a t i o n 1 9 1
U n d e r a d e g e n e r a t e c o e r c i v i t y a s s u m p t i o n o n h ( x ; u ; ) w e o b t a i n t h e f o l l o w i n g
i n t e g r a l r e p r e s e n t a t i o n f o r u 2 B V ( ; R
p
)
( 1 . 2 )
H ( u ; ) =
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h ( x ; u ( x ) ; r u ( x ) ) d x +
Z
h
1
( x ; u ( x ) ; d C ( u ) )
+
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S ( u ) \
K
h
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( x ) ; u
+
( x ) ;
u
( x ) ) d H
N 1
( x )
+
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( x ; T u ( x ) ) d H
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( x ) ;
w h e r e r u i s t h e d e n s i t y o f t h e a b s o l u t e l y c o n t i n u o u s p a r t o f t h e d i s t r i b u t i o n a l d e r i v -
a t i v e D u w i t h r e s p e c t t o t h e N { d i m e n s i o n a l L e b e s g u e m e a s u r e L
N
, ( u
+
u
) i s t h e
j u m p a c r o s s t h e i n t e r f a c e S ( u ) , a n d C ( u ) i s t h e C a n t o r p a r t o f D u . F o r t h e c a n o n i c a l
m o d e l w h e r e h ( x ; u ; r u ) : = j r u j , > 0 , t h e r e l a x e d e n e r g y H ( u ; ) r e d u c e s t o
( 1 . 3 ) H ( u ; ) =
Z
j D u j +
Z
@
( x ; T u ) d H
N 1
; u 2 B V ( ; R
p
) :
I n t h e s c a l a r c a s e w h e r e p = 1 t h e l o w e r s e m i c o n t i n u i t y o f t h e f u n c t i o n a l ( 1 . 3 ) w a s
p r o v e d b y M a s s a r i a n d P e p e M P ] w h e n ( x ; u ) : = ^ j u j , w i t h j j , a n d b y M o d i c a
M o 2 ] u n d e r t h e a s s u m p t i o n t h a t
( 1 . 4 ) j ( x ; u ) ( x ; u
1
) j j u u
1
j
f o r a l l x
2@ a n d a l l u , u
1
2R .
O n e o f t h e m o t i v a t i o n s f o r t h e i n t r o d u c t i o n o f a r e l a x e d e n e r g y i s t h a t n o n c o n -
v e x v a r i a t i o n a l p r o b l e m s m a y n o t h a v e a m i n i m i z e r i n t h e s p a c e o f s m o o t h f u n c t i o n s ,
t h e r e f o r e i n o r d e r t o a p p l y t h e d i r e c t m e t h o d o f C a l c u l u s o f V a r i a t i o n s o n e h a s t o e x -
t e n d t h e o r i g i n a l f u n c t i o n a l . A l t h o u g h S o b o l e v s p a c e s a r e c o n s i d e r e d t o b e t h e n a t u r a l
e x t e n s i o n t o t h e s p a c e o f s m o o t h f u n c t i o n s , i n r e c e n t y e a r s t h e t h e o r y o f p h a s e t r a n s i -
t i o n s , a n d t h e n e e d t o d e t e r m i n e e e c t i v e e n e r g i e s f o r m a t e r i a l s e x h i b i t i n g i n s t a b i l i t i e s
s u c h a s f r a c t u r e s a n d d e f e c t s , h a v e l e d u s t o f u r t h e r e x t e n d t h e d o m a i n o f f u n c t i o n a l s
o f t h e f o r m ( 1 . 1 ) i n o r d e r t o i n c l u d e f u n c t i o n s u w h i c h p r e s e n t d i s c o n t i n u i t i e s a l o n g
s u r f a c e s . M o t i v a t e d s o m e w h a t b y L e b e s g u e ' s d e n i t i o n o f s u r f a c e a r e a , S e r r i n i n S e 1 ,
S e 2 ] p r o p o s e d t h e f o l l o w i n g n o t i o n f o r t h e r e l a x e d e n e r g y o f H ( u ; ) ( i n t h e c a s e w h e r e
0 )
H ( u ; ) : = i n f
f u
n
g
n
l i m i n f
n ! 1
H ( u
n
; ) : u
n
2 W
1 ; 1
( ; R
p
) ; u
n
! u i n L
1
( ; R
p
)
o
:
O n e o f t h e m a i n i s s u e s i n t h e C a l c u l u s o f V a r i a t i o n s c o n c e r n s t h e s e a r c h a n d c h a r a c -
t e r i z a t i o n o f a n i n t e g r a l r e p r e s e n t a t i o n f o r H ( u ; ) i n t h e s p a c e B V ( ; R
p
) .
I n t h e s c a l a r c a s e w h e r e p = 1 a n d h ( x ; u ;
) i s c o n v e x , t h e i n t e g r a l r e p r e s e n t a t i o n
( 1 . 2 ) w a s r s t o b t a i n e d b y G o m a n a n d S e r r i n G S e ] w h e n h = h ( r u ) ( s e e a l s o
R e ] ) , a n d b y G i a q u i n t a , G . M o d i c a a n d S o u c e k G M S ] f o r h = h ( x ;
ru ) . T h e s e
r e s u l t s w e r e t h e n e x t e n d e d b y D a l M a s o D M ] w h o c o n s i d e r e d t h e g e n e r a l c a s e w h e r e
h = h ( x ; u ; r u ) , a n d e m p h a s i z e d t h e i m p o r t a n t r o l e o f t h e c o e r c i v i t y c o n d i t i o n i n
e s t a b l i s h i n g ( 1 . 2 ) . I n d e e d , D a l M a s o s h o w e d t h a t , w h i l e ( 1 . 2 ) h o l d s f o r n o n n e g a t i v e
f u n c t i o n s h = h ( u ; r u ) w i t h o u t a n y l o w e r b o u n d o n h , w h e n h = h ( x ; r u ) , o r , m o r e
g e n e r a l l y , w h e n h = h ( x ; u ; r u ) , t h e r e p r e s e n t a t i o n ( 1 . 2 ) m a y f a i l u n l e s s o n e r e q u i r e s
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1 9 2 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
a w e a k c o e r c i v i t y a s s u m p t i o n o f t h e f o r m
( 1 . 5 ) h ( x ; u ; r u ) g ( x ; u ) j r u j :
I n t h e v e c t o r i a l c a s e w h e r e p > 1 a n d h ( x ; u ; ) i s q u a s i c o n v e x , A m b r o s i o a n d D a l M a s o
A D M 2 ] p r o v e d ( 1 . 2 ) w h e n h = h ( r u ) a n d w i t h o u t ( 1 . 5 ) . I n d e p e n d e n t l y , F o n s e c a a n d
M u l l e r F M 2 ] o b t a i n e d t h i s r e s u l t f o r g e n e r a l f u n c t i o n s h ( x ; u ; r u ) w h i c h v e r i f y ( 1 . 5 ) .
I n a l l t h e w o r k s m e n t i o n e d a b o v e 0 , a n d o n e o f t h e p u r p o s e s o f t h i s p a p e r
i s t o e x t e n d t h e s e r e s u l t s t o t h e n e w c a s e w h e r e p o s s i b l y 6 0 . T h e r e l a x a t i o n
o f f u n c t i o n a l s o f t h e t y p e ( 1 . 1 ) a r i s e s i n t h e v a n d e r W a a l s { C a h n { H i l l i a r d t h e o r y o f
p h a s e t r a n s i t i o n s f o r u i d s ( c f . C H 1 , C H 2 , v d W ] ) . I n t h i s c o n t e x t t h e b o u n d a r y t e r m
R
@
( x ; T u ) d H
N 1
r e p r e s e n t s t h e c o n t a c t e n e r g y b e t w e e n t h e u i d a n d t h e c o n t a i n e r
w a l l s , w h e r e ( x ; u ) i s t h e c o n t a c t e n e r g y p e r u n i t a r e a w h e n t h e d e n s i t y i s u ( s e e C ,
G ] ) .
W e p r e s e n t h e r e t w o r e l a x a t i o n r e s u l t s . I n T h e o r e m 3 . 5 w e s h o w t h a t , w i t h o u t
a n y a p r i o r i c o e r c i v i t y o n t h e f u n c t i o n h , t h e f u n c t i o n a l o n t h e r i g h t h a n d s i d e o f ( 1 . 2 )
a c t u a l l y g i v e s t h e i n t e g r a l r e p r e s e n t a t i o n f o r t h e f o l l o w i n g r e l a x e d e n e r g y
H
b
( u ; ) = i n f
f u
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l i m i n f
n ! 1
H ( u
n
; ) : u
n
2 W
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p
) ; u
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W
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n u c l e a t i o n a n d r e l a x a t i o n 1 9 3
w h i c h i s e s s e n t i a l l y t h e c o n d i t i o n f o u n d b y M a s s a r i a n d P e p e M P ] a n d b y M o d i c a
M o 2 ] . W e n o t e t h a t o n c e ( 1 . 1 ) i s w r i t t e n i n t h e f o r m ( 1 . 6 ) , w e l l k n o w n i n t e g r a l
r e p r e s e n t a t i o n r e s u l t s f o r r e l a x a t i o n o f b u l k e n e r g y f u n c t i o n a l s a p p l y ( s e e F M 2 , F R ] ) .
T h i s i s i l l u s t r a t e d r s t o n S e c t i o n 2 i n t h e s c a l a r c a s e p = 1 a n d f o r a c l a s s o f e n e r g i e s
i n c l u d i n g t h e t y p i c a l o n e s c o n s i d e r e d b y V i s i n t i n ( s e e V 1 , V 2 ] ) ,
h ( x ; u ; ) : = j j ; ( x ; u ) : = ^ u :
M o r e g e n e r a l m o d e l s , r e l e v a n t t o t h e s t u d y o f a n i s o t r o p i c m a t e r i a l s a n d n o n l i n e a r
c o n t a c t f o r c e s , a r e s t u d i e d i n S e c t i o n 3 . I n p a r t i c u l a r , d e g e n e r a t e b o u n d s f o r t h e b u l k
e n e r g y d e n s i t y h , a s i n t r o d u c e d i n F M 2 ] i n t h e v e c t o r i a l c a s e , m a y p r o v e t o b e u s e f u l
i n t h e a n a l y s i s o f p h a s e t r a n s i t i o n p r o b l e m s .
I n t h e s e c o n d p a r t o f t h e p a p e r , S e c t i o n s 4 a n d 5 , w e a r e c o n c e r n e d w i t h c o n -
s t r a i n e d m i n i m i z a t i o n p r o b l e m s o f t h e t y p e
i n f
H ( u ; ) +
Z
( x ; u ( x ) ) d x : u 2 B V ( ; K )
;
w h e r e K i s a n o n e m p t y c o m p a c t s e t o f R
p
, a n d : K ! R i s a c o n t i n u o u s
f u n c t i o n . T h i s k i n d o f p r o b l e m s h a s i m p o r t a n t a p p l i c a t i o n s i n t h e s t u d y o f p h a s e
t r a n s f o r m a t i o n s a n d i n n u c l e a t i o n p h e n o m e n a ( c f . V 1 , V 2 ] ) . A c c o r d i n g t o t h e v a n
d e r W a a l s { C a h n { H i l l i a r d t h e o r y o f p h a s e t r a n s i t i o n s ( c f . C H 1 , C H 2 , v d W ] ) , t h e t o t a l
e n e r g y o f a u i d o f t o t a l m a s s m a n d d e n s i t y u ( x ) c o n n e d i n a b o u n d e d c o n t a i n e r
R
N
, i s g i v e n b y
( 1 . 7 )
E
"
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2
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j r u j
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d x +
Z
W
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( u ) d x + "
Z
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W
2
( T u ) d H
N 1
; u 2 W
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w h e r e t h e c o a r s e { g r a i n e n e r g y W
1
( u ) i s a d o u b l e w e l l p o t e n t i a l v a n i s h i n g o n l y a t a n d
a n d c o r r e s p o n d i n g t o t h e s t a b l e t w o { p h a s e c o n g u r a t i o n o f t h e u i d , t h e g r a d i e n t
t e r m "
2
j r u j
2
m o d e l s t h e i n t e r f a c i a l e n e r g y a c r o s s a s m o o t h t r a n s i t i o n l a y e r , w i t h "
a s m a l l p a r a m e t e r , a n d W
2
r e p r e s e n t s t h e c o n t a c t e n e r g y b e t w e e n t h e u i d a n d t h e
c o n t a i n e r w a l l s . T h e s t a b l e c o n g u r a t i o n s o f t h e u i d c o r r e s p o n d t o s o l u t i o n s o f t h e
p r o b l e m ( s e e C ] )
i n f
E
"
( u ) : u 2 W
1 ; 1
( ; R ) ;
Z
u d x = m
:
C o n r m i n g a c o n j e c t u r e o f G u r t i n G ] , M o d i c a i n M o 2 ] w a s a b l e t o s h o w t h a t i f a
s e q u e n c e o f m i n i m i z e r s f u
"
g c o n v e r g e s i n L
1
t o a f u n c t i o n u
0
, t h e n u
0
s o l v e s t h e
l i q u i d { d r o p p r o b l e m
i n f f H ( u ; ) : u 2 B V ( ; f ; g ) g ;
w h e r e H ( u ; ) i s t h e r e l a x e d e n e r g y o f
H ( u ; ) =
Z
j r u j d x +
Z
@
T u d H
N 1
; u 2 W
1 ; 1
( ; R ) :
H e r e ^ d e p e n d s o n l y o n W
1
a n d W
2
. T h e l i q u i d { d r o p p r o b l e m a d m i t s a s o l u t i o n i f
a n d o n l y i f j j 1 . A n a n a l o g o u s r e s u l t i s d u e t o A l b e r t i , B o u c h i t t e a n d S e p p e c h e r
A B S ] w h o r e c e n t l y s h o w e d t h a t i f t h e p a r a m e t e r " i n f r o n t o f t h e c o n t a c t e n e r g y i n
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1 9 4 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
( 1 . 7 ) i s r e p l a c e d b y
"
, w h e r e
l i m
" ! 0
" l o g
"
= K 2 ( 0 ; 1 )
a n d W
2
i s a d o u b l e w e l l p o t e n t i a l w h i c h v a n i s h e s o n l y a t
1
a n d
1
, t h e n t h e l i m i t
p r o b l e m i s g i v e n b y a d i e r e n t m o d e l f o r c a p i l l a r i t y w i t h l i n e t e n s i o n . I t i s w o r t h
n o t i n g t h a t i n t h i s c a s e t h e e e c t i v e e n e r g y t a k e s t h e f o r m
H ( u ; ) =
Z
j D ( G ( u ) ) j
+ i n f
Z
@
j G ( T u ) G ( v ) j d H
N 1
+
K
Z
@
j D v j
2
: v 2 B V ( @ ; f
1
;
1
g )
f o r u 2 B V ( ; f ; g ) a n d H ( u ; ) = 1 o t h e r w i s e . H e r e G i s a p r i m i t i v e o f 2
p
W
1
. I t
c a n b e s e e n i m m e d i a t e l y t h a t i n t h i s c a p i l l a r i t y m o d e l t h e c o n t a c t e n e r g y i s n o n l o c a l
a n d s t r o n g l y n o n l i n e a r , a n d a g a i n t h i s l e a d s u s t o c o n s i d e r i n g f u n c t i o n s o t h e r t h a n
( x ; u ) = u ( s e e V 1 , V 2 ] a n d S e c t i o n 3 ) .
I n t h e l a s t s e c t i o n o f t h e p a p e r w e p r o v e s o m e m i n i m i z a t i o n r e s u l t s w h i c h a r e
r e l a t e d t o s o l i d n u c l e a t i o n . F o r a c o m p l e t e d e s c r i p t i o n o f t h i s p h e n o m e n o n w e r e f e r t o
t h e r e c e n t m o n o g r a p h o f V i s i n t i n V 1 ] a n d t o t h e b i b l i o g r a p h y c o n t a i n e d t h e r e i n . B y
s o l i d n u c l e a t i o n w e m e a n t h e f o r m a t i o n o f a n e w s o l i d p h a s e , t h a t i s o f a c o n n e c t e d
c o m p o n e n t o f s o l i d i n a l i q u i d . I f t h e n e w s o l i d p h a s e i s f o r m e d i n t h e i n t e r i o r o f t h e
l i q u i d , t h e n u c l e a t i o n i s c a l l e d h o m o g e n e o u s , w h i l e i f i t i s a l s o i n c o n t a c t w i t h o t h e r
s u b s t a n c e s , s u c h a s t h e c o n t a i n e r , i m p u r i t i e s d i s p e r s e d i n t h e l i q u i d o r n u c l e a n t s , t h e n
w e n a m e i t h e t e r o g e n e o u s n u c l e a t i o n ( c f . V 1 , C h . V I I . 2 ] ) . B y t h i n k i n g o f t h e s e
i m p u r i t i e s o r p a r t i c l e s a s h o l e s i n t h e d o m a i n , w e c a n r e p r e s e n t t h e c o n t a c t e n e r g y
b y a n i n t e g r a l t e r m o v e r t h e b o u n d a r y o f . F u r t h e r m o r e , s i n c e t h e n e w s o l i d p h a s e
i s f o r m e d t h r o u g h c r y s t a l l i z a t i o n , a n d c r y s t a l s a r e a n i s o t r o p i c , t h e c l a s s i c a l i s o t r o p i c
i n t e r f a c i a l e n e r g y
R
j D u j i s n o w r e p l a c e d b y
R
h ( x ; D u ) . I n t h e a p p l i c a t i o n s o n e
s e e s o f t e n h ( x ; D u ) = j A ( x ) D u j , w h e r e A ( x ) i s a n o n n e g a t i v e d e n i t e N N t e n s o r
( c f . V 1 , p . 1 5 7 ] ) .
T h e m a i n r e s u l t s o f t h i s p a r t a r e T h e o r e m s 5 . 1 a n d 5 . 4 , w h e r e w e s h o w t h a t
m i n i m i z e r s u o f t h e t o t a l e n e r g y a r e g i v e n b y p u r e p h a s e s , t h a t i s , t h e r e e x i s t s
u
s u c h t h a t u ( x ) = f o r L
N
a . e . x 2
u
( l i q u i d ) a n d u ( x ) = f o r L
N
a . e . x 2 n
u
( s o l i d ) . T h i s r e s u l t i s c l o s e l y r e l a t e d t o T h e o r e m 2 i n V 2 ] , w h e r e t h e i n t e r f a c i a l e n e r g y
i s a s s u m e d t o s a t i s f y a g e n e r a l i z e d c o - a r e a f o r m u l a . W e r e p l a c e h e r e t h i s c o n d i t i o n b y
s o m e h y p o t h e s e s w h i c h a r e e a s y t o v e r i f y a n d a l l o w u s t o i n c l u d e i n t e r f a c i a l e n e r g i e s
o f t h e f o r m
R
h ( x ; D u ) , w h e r e h ( x ; ) i s c o n v e x a n d p o s i t i v e l y h o m o g e n e o u s o f d e g r e e
o n e , a n d f o r w h i c h t h e c o - a r e a f o r m u l a m i g h t n o t h o l d .
2 . R e l a x a t i o n : A S i m p l e M o d e l P r o b l e m .
I n w h a t f o l l o w s R
N
i s a n o p e n , b o u n d e d s e t o f c l a s s C
2
, a n d T s t a n d s f o r
t h e t r a c e o p e r a t o r o n @ .
I n t h i s s e c t i o n w e c h a r a c t e r i z e t h e r e l a x e d e n e r g y H w h e n
( A
1
) h : R
N
! 0 ; + 1 ) i s a c o n t i n u o u s f u n c t i o n ;
( A
2
) h ( x ;
) i s c o n v e x f o r a l l x
2 ;
( A
3
) j j h ( x ; ) C ( 1 + j j ) ; f o r s o m e ; C > 0 , a n d f o r a l l ( x ; ) 2 R
N
;
( A
4
) ( x ; u ) : = ^ u ; f o r s o m e j j a n d f o r a l l ( x ; u ) 2 R .
-
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n u c l e a t i o n a n d r e l a x a t i o n 1 9 5
T h e m a i n i d e a i s t o r e w r i t e
H ( u ; ) : =
Z
h ( x ; r u ( x ) ) d x +
Z
@
T u ( x ) d H
N 1
( x ) ; u 2 W
1 ; 1
( ; R
p
) ;
a s a b u l k e n e r g y a n d t h e n a p p l y k n o w n r e l a x a t i o n r e s u l t s f r o m W
1 ; 1
t o B V ( s e e , e . g . ,
D M , F M 2 ] ) .
W e s t a r t w i t h s o m e n o t a t i o n . F o r a n y 2 S
N 1
: = f x 2 R
N
: j x j = 1 g l e t
f
1
;
;
N 1
;
gb e a n o r t h o n o r m a l b a s i s o f R
N
v a r y i n g c o n t i n u o u s l y w i t h , a n d
Q
: = f x 2 R
N
: j x
i
j
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1 9 6 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
a n d
l i m
r ! 0
1
r
N
Z
f y 2 B ( x
0
; r ) : ( y x )
u
( x ) 1 . F i n a l l y , D u m a y b e r e p r e s e n t e d a s
D u = r u L
N
+ ( u
+
u
)
u
H
N 1
b S ( u ) + C ( u ) ;
w h e r e r u i s t h e d e n s i t y o f t h e a b s o l u t e l y c o n t i n u o u s p a r t o f D u w i t h r e s p e c t t o t h e
N { d i m e n s i o n a l L e b e s g u e m e a s u r e L
N
. T h e s e t h r e e m e a s u r e s a r e m u t u a l l y s i n g u l a r .
L e m m a 2 . 1 . T h e r e e x i s t s ' 2 C
1
0
( R
N
; R
N
) w i t h j ' ( x ) j 0 ,
( 2 . 1 )
\U
j
=
fx
2U
j
: (
j
( x ) )
N
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n u c l e a t i o n a n d r e l a x a t i o n 1 9 7
H e n c e
Z
@
T v ( x ) d H
N 1
( x ) =
X
2
Z
@
( x ) T v ( x ) d H
N 1
( x )
=
Z
v ( x ) d i v
0
@
X
2
'
( x )
1
A
d x +
Z
0
@
X
2
'
( x )
1
A
d ( D ( v ( x ) ) ) :
T h e p r o o f o f L e m m a 2 . 1 i s c o m p l e t e i f w e s h o w t h a t ' ( x ) : =
P
2
'
( x ) s a t i s e s
j ' ( x ) j 0 , w e m a y u s e t h e r e l a x a t i o n a r g u m e n t s i n t r o d u c e d i n F M 1 , F M 2 ] , t a k -
i n g i n t o a c c o u n t t h a t t h e r e l a x a t i o n m e t h o d i s l o c a l , s o t h a t o n e a c h b a l l B ( x
0
; " )
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1 9 8 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
t h e r e i s a n u p p e r b o u n d j ' ( x ) j < 0 s u c h t h a t
( 3 . 1 ) g ( x ; u ) j j h ( x ; u ; ) C g ( x ; u ) ( 1 + j j )
f o r a l l ( x ; u ; ) 2 R
p
M
p N
, w h e r e M
p N
i s t h e v e c t o r s p a c e o f p N m a t r i c e s ;
( H
4
) f o r e v e r y x
0
2 a n d > 0 t h e r e e x i s t s " > 0 s u c h t h a t
( 3 . 2 ) h ( x
0
; u ; ) h ( x ; u ; ) ( 1 + g ( x ; u ) j j )
f o r a l l x 2 w i t h j x x
0
j " a n d f o r a l l ( u ; ) 2 R
p
M
p N
;
( H
5
) t h e r e e x i s t C
0
> 0 a n d m 2 ( 0 ; 1 ) s u c h t h a t
j h
1
( x ; u ; ) h ( x ; u ; ) j C
0
g ( x ; u ) ( 1 + j j
1 m
)
f o r a l l ( x ; u ; ) 2 R
p
M
p N
, w h e r e t h e r e c e s s i o n f u n c t i o n h
1
o f h i s d e n e d a s
h
1
( x ; u ; ) : = l i m s u p
t ! 1
h ( x ; u ; t )
t
;
-
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n u c l e a t i o n a n d r e l a x a t i o n 1 9 9
( H
6
) a d m i t s a n e x t e n s i o n 2 C ( R
p
; R ) \ C
1
( R
p
; R ) s u c h t h a t
j r
x
( x ; u ) j a
1
( x ) + C
1
( 1 + j u j
q
c
)
f o r L
N
a . e . x 2 a n d a l l u 2 R
p
, w h e r e a
1
2 L
1
( ; R ) , C
1
> 0 a n d q
c
i s t h e S o b o l e v
e x p o n e n t q
c
: = N = ( N 1 ) i f N > 1 a n d q
c
0 t h e r e e x i s t s " > 0 s u c h t h a t
( 3 . 3 ) j r
u
( x
0
; u ) r
u
( x ; u ) j g ( x ; u )
f o r a l l x 2 w i t h j x x
0
j " a n d f o r a l l u 2 R
p
;
( H
7
) g ( x ; u ) j r
u
( x ; u ) j f o r a l l ( x ; u ) 2 R
p
.
R e m a r k 3 . 1 . ( i ) C o n d i t i o n s ( H
1
)
( H
5
) w e r e c o n s i d e r e d b y F o n s e c a a n d M u l l e r
( s e e F M 2 ] ) , w h o t r e a t e d t h e c a s e w h e r e 0 . A c t u a l l y , i n F M 2 ] h y p o t h e s i s ( H 4 )
i n c l u d e d :
( H 4 )
1
f o r e v e r y c o m p a c t s e t K b R
p
t h e r e e x i s t s a c o n t i n u o u s f u n c t i o n
! : 0 ; 1 ) ! 0 ; 1 ) , w i t h
! ( 0 ) = 0 , s u c h t h a t
j h ( x ; u ; ) h ( x
1
; u
1
; ) j ! ( j x x
1
j + j u u
1
j ) ( 1 + j j )
f o r a l l ( x ; u ; ) , ( x
1
; u
1
; ) 2 K M
p N
.
A s i t t u r n s o u t , t h i s p r o p e r t y f o l l o w s f r o m ( H 1 ) , ( H 2 ) , ( H 5 ) . I n d e e d u s i n g t h e f a c t
t h a t t h e r e c e s s i o n f u n c t i o n h
1
o f h i s s t i l l q u a s i c o n v e x a n d i s p o s i t i v e l y h o m o g e n e o u s
o f d e g r e e o n e i n t h e v a r i a b l e ( s e e F M 2 , M ] ) , b y ( H 1 ) , ( H 2 ) , ( H 5 ) , i t i s p o s s i b l e t o
s h o w t h a t h
1
i s a c t u a l l y c o n t i n u o u s i n R
p
M
p N
a n d , i n t u r n , t h a t h s a t i s e s
c o n d i t i o n ( H 4 )
1
o f F M 2 ] . W e o m i t t h e d e t a i l s .
( i i ) B y t h e M e a n V a l u e T h e o r e m a n d c o n d i t i o n s ( H
3
) a n d ( H
7
) w e h a v e
( 3 . 4 ) j ( x ; u ) ( x ; u
1
) j j r
u
( x ; u ) j j u u
1
j j j g j j
L
1
j u u
1
j
f o r a l l x 2 a n d a l l u , u
1
2 R
p
. T a k i n g u
1
= 0 i t f o l l o w s b y ( H
6
) a n d ( 3 . 4 ) t h a t
( 3 . 5 ) j ( x ; u ) j j j g j j
L
1
j u j + j j ( x ; 0 ) j j
L
1
f o r a l l ( x ; u ) 2 R
p
. T h i s g r o w t h c o n d i t i o n , t o g e t h e r w i t h ( 3 . 1 ) , i m p l i e s i n p a r t i c u l a r
t h a t t h e f u n c t i o n a l H ( u ; ) i s w e l l d e n e d a n d n i t e f o r u 2 W
1 ; 1
( ; R
p
) .
( i i i ) A t y p i c a l e x a m p l e o f t h e e n e r g y d e n s i t i e s i s ( s e e V i s i n t i n V 1 , V 2 ] , a n d
S e c t i o n 2 )
( 3 . 6 ) h ( x ; u ; ) : = j j ; ( x ; u ) : = ^ u ;
w h e r e > 0 a n d ^ 2 R . I t i s e a s y t o s e e t h a t c o n d i t i o n s ( H
1
) ( H
6
) h o l d w i t h
g ( x ; u ) : = , w h i l e a s s u m p t i o n ( H
7
) r e d u c e s t o t h e i n e q u a l i t y j j . M o r e g e n e r a l l y ,
( H
6
) i s t r i v i a l l y s a t i s e d i f = ( u ) .
( i v ) I f i n ( 1 . 3 ) w e t a k e ( x ; u ) : = ^ j u j f o r ( x ; u ) 2 @ R
p
( c f . M P ] ) , t h e n i t i s
p o s s i b l e t o e x t e n d t o R
p
a s f o l l o w s
( x ; u ) : = ^
p
j u j
2
+
2
( x ) ;
w h e r e 2 C
1
( ; R ) i s s u c h t h a t ( x ) > 0 f o r x 2 a n d ( x ) = 0 f o r x 2 @ .
C o n d i t i o n s ( H
1
) ( H
7
) a r e t h e n v e r i e d w i t h g ( x ; u ) : = , p r o v i d e d j j . T h e
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2 0 0 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
p r o b l e m o f n d i n g a n e x t e n s i o n o f : @ R
p
! R t o R
p
w h i c h s a t i s e s ( H
6
) ( H
7
)
f o r t h e f u n c t i o n a l ( 1 . 3 ) , a n d w h e n ( 1 . 4 ) h o l d s , w i l l b e a d d r e s s e d i n a f o r t h c o m i n g p a p e r .
O u r g o a l i n t h i s s e c t i o n i s t o g e n e r a l i z e t h e i n t e g r a l r e p r e s e n t a t i o n o b t a i n e d i n
S e c t i o n 2 t o t h e r e l a x e d e n e r g y o f H ( u ; ) i n B V ( ; R
p
) w i t h r e s p e c t t o t h e L
1
t o p o l o g y , t h a t i s
H ( u ; ) : = i n f
f u
n
g
n
l i m i n f
n ! 1
H ( u
n
; ) : u
n
2 W
1 ; 1
( ; R
p
) ; u
n
! u i n L
1
( ; R
p
)
o
:
F r o m t h e d e n i t i o n o f H ( u ; ) i t f o l l o w s i m m e d i a t e l y t h a t t h e f u n c t i o n a l H ( u ; ) i s
l o w e r s e m i c o n t i n u o u s i n L
1
( ; R
p
) .
B e f o r e s t a t i n g t h e m a i n t h e o r e m s o f t h i s s e c t i o n w e i n t r o d u c e t h e s u r f a c e e n e r g y
a s s o c i a t e d t o t h e f u n c t i o n h . F o r x e d a , b
2R
p
w e d e n e
A( a ; b ; ) a s t h e c l a s s o f a l l
f u n c t i o n s 2 W
1 ; 1
( Q
; R
p
) s u c h t h a t
T ( y ) =
a i f y = 1 = 2
b i f y = 1 = 2
a n d w h i c h a r e p e r i o d i c o f p e r i o d o n e i n t h e r e m a i n i n g d i r e c t i o n s
1
;
;
N 1
. T h e
s u r f a c e e n e r g y a s s o c i a t e d t o t h e f u n c t i o n h , K
h
( x ; a ; b ; ) , i s d e n e d b y
K
h
( x ; a ; b ; ) : = i n f
Z
Q
h
1
( x ; ( y ) ; r ( y ) ) d y : 2 A ( a ; b ; )
:
F o r a d e t a i l e d s t u d y o f t h e p r o p e r t i e s o f t h e f u n c t i o n K
h
( x ; a ; b ; ) w e r e f e r t o F R ] .
F o r u 2 B V ( ; R
p
) w e d e n e t h e f u n c t i o n a l
L ( u ; ) : =
Z
h ( x ; u ( x ) ; r u ( x ) ) d x +
Z
h
1
( x ; u ( x ) ; d C ( u ) )
+
Z
S ( u ) \
K
h
( x ; u
( x ) ; u
+
( x ) ;
u
( x ) ) d H
N 1
( x ) +
Z
@
( x ; T u ( x ) ) d H
N 1
( x ) :
T h e o r e m 3 . 2 . L e t ( H
1
) ( H
7
) h o l d . I f u 2 B V ( ; R
p
) t h e n
H ( u ; ) = L ( u ; ) :
C o r o l l a r y 3 . 3 . I f h = h ( x ; ) t h e n
H ( u ; ) =
Z
h ( x ; r u ( x ) ) d x +
Z
h
1
( x ; d C ( u ) )
+
Z
S ( u ) \
h
1
( x ; ( u
+
( x ) u
( x ) )
u
( x ) ) d H
N 1
( x )
+
Z
@
( x ; T u ( x ) ) d H
N 1
( x ) :
T h e p r o o f o f C o r o l l a r y 3 . 3 f o l l o w s f r o m R e m a r k 2 . 1 7 i n F M 2 ] .
R e m a r k 3 . 4 . ( i ) R a t h e r s u r p r i s i n g l y , i n g e n e r a l t h e f u n c t i o n a l L ( u ; ) i s n o t
l o w e r s e m i c o n t i n u o u s i n L
1
i f t h e d o m a i n i s o n l y L i p s c h i t z . T h i s f a c t w a s r s t
p o i n t e d o u t b y M o d i c a i n M o 2 ] w h o g a v e t h e f o l l o w i n g s i m p l e e x a m p l e . L e t : =
( 0 ; 1 ) ( 0 ; 1 ) R
2
a n d t a k e h a n d a s i n ( 3 . 6 ) , w i t h
-
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n u c l e a t i o n a n d r e l a x a t i o n 2 0 1
( H
1
) { ( H
7
) a r e s a t i s e d ( s e e R e m a r k 3 . 1 ( i i i ) ) , a n d
L ( u ; ) =
Z
j D u j +
Z
@
T u d H
1
; u 2 B V ( ; R ) :
C o n s i d e r t h e s e q u e n c e
u
n
( x
1
; x
2
) : =
0 i f x
1
+ x
2
1 = n
n i f x
1
+ x
2
-
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2 0 2 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
D M ] t h a t H ( u ; ) = L ( u ; ) w h e n h = h ( u ; ) s a t i s e s o n l y ( 3 . 7 ) , w h i l e p o s s i b l y
H ( u ; ) 1 a n d w h e n 0 , A m b r o s i o a n d D a l M a s o
A D M 2 ] p r o v e d t h a t H ( u ; ) = L ( u ; ) w h e n h = h ( ) s a t i s e s o n l y ( 3 . 7 ) . I n d e -
p e n d e n t l y , F o n s e c a a n d M u l l e r F M 2 ] h a v e o b t a i n e d t h i s r e s u l t f o r g e n e r a l f u n c t i o n s
h ( x ; u ; ) w h i c h v e r i f y ( 3 . 1 ) , s t i l l i n t h e c a s e w h e r e 0 .
W e p r o c e e d w i t h t h e p r o o f s o f T h e o r e m s 3 . 2 a n d 3 . 5 . W e s t a r t w i t h s o m e p r e l i m -
i n a r y r e s u l t s . I n w h a t f o l l o w s , a n d u n l e s s o t h e r w i s e s p e c i e d , w e a l w a y s a s s u m e t h a t
c o n d i t i o n s ( H
1
) ( H
7
) h o l d .
L e m m a 3 . 7 . I f u 2 B V ( ; R
p
) t h e n t h e f u n c t i o n v ( x ) : = ( x ; u ( x ) ) 2 B V ( ; R )
a n d
D v =
r
x
( x ; u ) L
N
+ D u
T
r
u
( x ; u ) o n n S ( u )
( ( x ; u
+
) ( x ; u
) )
u
H
N 1
b S ( u ) o n S ( u ) :
M o r e o v e r
T v ( x ) = ( x ; T u ( x ) ) :
T h e p r o o f o f L e m m a 3 . 7 i s s t r a i g h t f o r w a r d i n l i g h t o f r e l a t e d r e s u l t s o n t h e c h a i n
r u l e f o r B V f u n c t i o n s ( s e e A D M 1 ] a n d t h e r e f e r e n c e s c o n t a i n e d t h e r e i n ) .
B y L e m m a s 2 . 1 a n d 3 . 7 , i f u 2 B V ( ; R
p
) t h e n
( 3 . 8 )
Z
@
( x ; T u ( x ) ) d H
N 1
( x ) =
Z
( x ; u ( x ) ) d i v ' ( x ) d x +
Z
' ( x ) d ( D ( ( x ; u ( x ) ) ) :
I n t u r n , b y ( 3 . 8 ) w e c a n r e w r i t e t h e f u n c t i o n a l H ( u ; ) a s
( 3 . 9 )
H ( u ; ) =
Z
h ( x ; u ( x ) ; r u ( x ) ) + ' ( x ) r u
T
( x ) r
u
( x ; u ( x ) )
d x
+
Z
( x ; u ( x ) ) d i v ' ( x ) d x +
Z
' ( x ) r
x
( x ; u ( x ) ) d x :
T h i s e q u i v a l e n t f o r m g i v e s u s a b e t t e r i n s i g h t i n t o t h e c o m p e t i n g r o l e s p l a y e d b y t h e
t w o e n e r g y i n t e g r a l s
R
h ( x ; u ; r u ) d x a n d
R
@
( x ; T u ) d H
N 1
. I n p a r t i c u l a r , i t i s
n o w c l e a r t h a t w i t h o u t a c o n d i t i o n o f t h e t y p e
h ( x ; u ; ) j r
u
( x ; u ) j j j
o n e m a y h a v e H ( u ; ) = 1 , a s i n t h e e x a m p l e i n R e m a r k 3 . 4 ( i i ) .
D e n e f ( x ; u ; ) : = h ( x ; u ; ) + ' ( x )
T
r
u
( x ; u ) f o r ( x ; u ; ) 2 R
p
M
p N
,
s e t
F ( u ; ) : =
Z
f ( x ; u ( x ) ; r u ( x ) ) d x ; u 2 W
1 ; 1
( ; R
p
) ;
a n d l e t
F ( u ; ) : = i n f
f u
n
g
n
l i m i n f
n ! 1
F ( u
n
; ) : u
n
2 W
1 ; 1
( ; R
p
) ; u
n
! u i n L
1
( ; R
p
)
o
:
L e m m a 3 . 8 . I f u 2 B V ( ; R
p
) t h e n
H ( u ; ) = F ( u ; ) +
Z
( x ; u ( x ) ) d i v ' ( x ) d x +
Z
' ( x ) r
x
( x ; u ( x ) ) d x :
-
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n u c l e a t i o n a n d r e l a x a t i o n 2 0 3
P r o o f . C l e a r l y i t i s e n o u g h t o s h o w t h a t
l i m i n f
n ! 1
H ( u
n
; ) = l i m i n f
n ! 1
F ( u
n
; )
+
Z
( x ; u ( x ) ) d i v ' ( x ) d x +
Z
' ( x ) r
x
( x ; u ( x ) ) d x
f o r a n y s e q u e n c e f u
n
g W
1 ; 1
( ; R
p
) s u c h t h a t u
n
! u i n L
1
( ; R
p
) . W e r s t o b s e r v e
t h a t , s i n c e ' 2 C
1
0
( R
N
; R
N
) , t h e f u n c t i o n s ' a n d d i v ' a r e b o u n d e d i n . M o r e o v e r ,
b y ( 3 . 4 )
j ( x ; u
n
( x ) ) ( x ; u ( x ) ) j j j g j j
L
1
j u
n
( x ) u ( x ) j f o r L
N
a . e . x 2 .
H e n c e
l i m
n ! 1
Z
( x ; u
n
) d i v ' d x =
Z
( x ; u ) d i v ' d x :
B y ( H
6
) , b y v i r t u e o f t h e S o b o l e v i n e q u a l i t y , a n d d u e t o t h e f a c t t h a t ' i s b o u n d e d ,
t h e f u n c t i o n a l u 7!
R
' r
x
( x ; u ( x ) ) d x i s c o n t i n u o u s i n L
1
( ; R
p
) ( s e e K , T h . 2 . 1 ] )
a n d t h u s
l i m
n ! 1
Z
' r
x
( x ; u
n
) d x =
Z
' ( x ) r
x
( x ; u ) d x :
W e a r e n o w r e a d y t o p r o v e T h e o r e m 3 . 2 .
P r o o f o f T h e o r e m 3 . 2 . B y L e m m a 3 . 8 , i n o r d e r t o n d a n i n t e g r a l r e p r e s e n t a t i o n
f o r H ( u ; ) i n B V ( ; R
p
) i t i s s u c i e n t t o d e t e r m i n e o n e f o r F ( u ; ) . T h e i d e a i s t o
a p p l y T h e o r e m 2 . 1 6 o f F M 2 ] . I n o r d e r t o d o s o w e n e e d t o s h o w t h a t t h e f u n c t i o n
f ( x ; u ; ) = h ( x ; u ; ) + ' ( x )
T
r
u
( x ; u )
s a t i s e s c o n d i t i o n s ( H
1
)
( H
5
) w h i c h a r e e s s e n t i a l l y t h e s a m e o f F M 2 ] .
C o n d i t i o n ( H
1
) i s t r i v i a l l y v e r i e d s i n c e t h e f u n c t i o n s a n d ' a r e o f c l a s s C
1
.
A s f i s t h e s u m o f a q u a s i c o n v e x f u n c t i o n a n d a f u n c t i o n l i n e a r i n , i t i s c l e a r t h a t
f ( x ; u ; ) i s s t i l l q u a s i c o n v e x a n d t h a t
f
1
( x ; u ; ) = h
1
( x ; u ; ) + ' ( x )
T
r
u
( x ; u ) ;
w h i c h , i n t u r n , i m p l i e s t h a t
j f
1
( x ; u ; ) f ( x ; u ; ) j = j h
1
( x ; u ; ) h ( x ; u ; ) j C
0
g ( x ; u ) ( 1 + j j
1 m
)
b y ( H
5
) . T h u s f v e r i e s a l s o ( H
2
) a n d ( H
5
) .
W e p r o v e ( 3 . 2 ) . F i x x
0
2 a n d > 0 . T h e r e e x i s t s " > 0 s u c h t h a t f o r x 2
w i t h j x x
0
j " a n d ( u ; ) 2 R
p
M
p N
h ( x
0
; u ; ) h ( x ; u ; )
1
3
( 1 + g ( x ; u ) j j ) ; j ' ( x ) ' ( x
0
) j
1
3
;
j r
u
( x
0
; u ) r
u
( x ; u ) j
1
3
g ( x ; u )
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2 0 4 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
b y t h e c o n t i n u i t y o f ' , ( 3 . 2 ) a n d ( 3 . 3 ) . H e n c e
f ( x
0
; u ; ) = h ( x
0
; u ; ) + ' ( x
0
)
T
r
u
( x
0
; u )
= f ( x ; u ; ) + h ( x
0
; u ; ) h ( x ; u ; )
+ ' ( x
0
) ' ( x ) ]
T
r
u
( x ; u ) + ' ( x
0
)
T
r
u
( x
0
; u ) r
u
( x ; u ) ]
f ( x ; u ; ) +
1
3
( 1 + g ( x ; u ) j j ) +
2
3
g ( x ; u ) j j
w h i c h i s ( 3 . 2 ) , a n d w h e r e w e h a v e u s e d ( H 7 ) a n d t h e f a c t t h a t j ' ( x
0
) j 1 .
F i n a l l y , c o n d i t i o n ( H
3
) i s r e p l a c e d b y t h e c o n d i t i o n
( 3 . 1 0 ) g ( x ; u ) j j ( 1 j ' ( x ) j ) f ( x ; u ; ) 2 C g ( x ; u ) ( 1 + j j )
w h i c h f o l l o w s f r o m ( 3 . 1 ) a n d ( H
7
) . A l t h o u g h ( 3 . 1 0 ) i s w e a k e r t h a n c o n d i t i o n ( H
3
) i n
F M 2 ] , t h e p r o o f t h e r e c a r r i e s o u t e v e n w i t h ( 3 . 1 0 ) . I n d e e d , c o n d i t i o n ( H
3
) w a s u s e d
i n F M 2 ] o n l y t o s h o w t h a t
F ( u ; )
Z
f ( x ; u ; r u ) d x +
Z
f
1
( x ; u ; d C ( u ) )
+
Z
S ( u ) \
K
f
( x ; u
; u
+
;
u
) d H
N 1
( x ) :
T h e p r o o f o f t h i s i n e q u a l i t y r e l i e s o n t h e b l o w { u p a r g u m e n t i n t r o d u c e d i n F M 1 ]
w h i c h i s a l o c a l a r g u m e n t , i n t h e s e n s e t h a t i n o r d e r t o p r o v e t h e t h r e e m a i n p o i n t w i s e
i n e q u a l i t i e s ( 2 . 1 0 ) { ( 2 . 1 1 ) i n F M 2 ] a t p o i n t s x
0
2 , o n e i s o n l y i n t e r e s t e d i n w h a t
h a p p e n s i n a b a l l B ( x
0
; " ) . S i n c e i n o u r c a s e j ' ( x
0
) j <
0
0 , i f w e
t a k e " s u c i e n t l y s m a l l w e c a n a s s u m e t h a t j ' ( x ) j
0
f o r a l l x 2 B ( x
0
; " ) a n d t h u s
( 3 . 1 0 ) r e d u c e s t o
g ( x ; u ) j j ( 1
0
) f ( x ; u ; ) 2 C g ( x ; u ) ( 1 + j j )
f o r a l l ( x ; u ; ) 2 B ( x
0
; " ) R
p
M
p N
, w h i c h i s t h e l o c a l v e r s i o n o f ( H
3
) i n F M 2 ] .
I n c o n c l u s i o n , w e m a y a p p l y T h e o r e m 2 . 1 6 o f F M 2 ] ( s e e R e m a r k 3 . 1 0 b e l o w ) t o
o b t a i n t h a t f o r u 2 B V ( ; R
p
)
F ( u ; ) =
Z
h ( x ; u ; r u ) + ' r u
T
r
u
( x ; u )
d x +
Z
h
1
( x ; u ; d C ( u ) )
+
Z
( ' r
u
( x ; u ) ) d C
T
( u ) +
Z
S ( u ) \
K
f
( x ; u
; u
+
;
u
) d H
N 1
;
w h e r e
K
f
( x ; a ; b ; ) = i n f
Z
Q
h
1
( x ; ( y ) ; r ( y ) ) + ' ( x ) r
T
( y ) r
u
( x ; ( y ) )
d y :
2 A ( a ; b ; )
:
G i v e n a n y 2 A ( a ; b ; ) w e h a v e
Z
Q
' ( x ) r
T
( y ) r
u
( x ; ( y ) ) d y =
Z
@ Q
' ( x ) n ( y ; Q
) ( x ; T ( y ) ) d H
N 1
( y )
= ' ( x ) ( ( x ; b ) ( x ; a ) ) ;
-
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n u c l e a t i o n a n d r e l a x a t i o n 2 0 5
a n d s o
K
f
( x ; a ; b ; ) = K
h
( x ; a ; b ; ) + ' ( x ) ( ( x ; b ) ( x ; a ) ) :
I f w e n o w u s e L e m m a s 2 . 1 , 3 . 7 , a n d 3 . 8 , w e n a l l y o b t a i n t h a t H ( u ; ) = L ( u ; ) .
T h i s c o n c l u d e s t h e p r o o f o f T h e o r e m 3 . 2 .
R e m a r k 3 . 9 . T h e c o n t i n u i t y h y p o t h e s e s ( H
1
) , ( H
4
) a n d ( 3 . 3 ) m a y b e r e p l a c e d
b y
( H
1
)
0
h i s C a r a t h e o d o r y ;
( H
4
)
0
f o r a l l ( x
0
; u
0
) 2 R
p
a n d f o r a l l > 0 t h e r e e x i s t s " > 0 s u c h t h a t
j h ( x ; u
1
; ) h ( x ; u
2
; ) j " ( 1 + j j )
f o r a l l x 2 w i t h j x x
0
j " , u
1
, u
2
2 B ( u
0
; " ) a n d 2 M
p N
;
p r o v i d e d
7!f ( x ; u ;
) i s c o e r c i v e ( e . g . i f g ( x ; u )
>
j j r
u
j j
L
1
f o r s o m e > 0 ) .
I n t h i s c a s e , i n T h e o r e m 3 . 2 w e w o u l d u s e t h e i n t e g r a l r e p r e s e n t a t i o n o b t a i n e d b y
B o u c h i t t e , F o n s e c a a n d M a s c a r e n h a s B F M ] i n p l a c e o f t h e c o r r e s p o n d i n g r e s u l t b y
F o n s e c a a n d M u l l e r F M 2 ] .
P r o o f o f T h e o r e m 3 . 5 . B y L e m m a 3 . 8 i t i s e n o u g h t o n d a n i n t e g r a l r e p r e s e n t a -
t i o n f o r t h e c o r r e s p o n d i n g F
b
( u ; ) i n B V ( ; R
p
) . L e t f
"
( x ; u ; ) : = f ( x ; u ; ) + " j j ,
f o r " 2 ( 0 ; 1 ) , w h e r e , a s b e f o r e , f ( x ; u ; ) : = h ( x ; u ; ) + ' ( x )
T
r
u
( x ; u ) , a n d d e n e
F
"
( u ; ) : = i n f
f u
n
g
n
l i m i n f
n ! 1
F
"
( u
n
; ) : u
n
2 W
1 ; 1
( ; R
p
) ; u
n
! u i n L
1
( ; R
p
)
o
;
w h e r e
F
"
( u ; ) : =
Z
f
"
( x ; u ( x ) ; r u ( x ) ) d x ; u 2 W
1 ; 1
( ; R
p
) :
W e c l a i m t h a t
l i m
" ! 0
F
"
( u ; ) = F
b
( u ; ) :
F i x u 2 L
1
( ; R
p
) . F o r a n y g i v e n > 0 t h e r e e x i s t s a s e q u e n c e f u
n
g W
1 ; 1
( ; R
p
) ,
w i t h s u p
n
j j u
n
j j
W
1 1
= M
-
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2 0 6 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
C o n v e r s e l y , x u 2 L
1
( ; R
p
) a n d " > 0 . T h e n t h e r e e x i s t s a s e q u e n c e f u
"
n
g
W
1 ; 1
( ; R
p
) s u c h t h a t u
"
n
! u i n L
1
( ; R
p
) a s n ! 1 a n d
( 3 . 1 1 )
F
"
( u ; ) + " l i m
n ! 1
Z
f ( x ; u
"
n
; r u
"
n
) + " j r u
"
n
j ] d x l i m i n f
n ! 1
Z
f ( x ; u
"
n
; r u
"
n
) d x :
W i t h o u t l o s s o f g e n e r a l i t y w e c a n a s s u m e t h a t F
"
( u ; )
-
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n u c l e a t i o n a n d r e l a x a t i o n 2 0 7
f o r a l l ( x ; u ; ) 2 R
p
M
p N
, w h i c h i s s t r o n g e r t h a n c o n d i t i o n ( H
3
) . T o c i r c u m v e n t
t h i s d i c u l t y c o n s i d e r t h e f u n c t i o n f
"
( x ; u ; ) d e n e d a s i n t h e p r o o f o f T h e o r e m 3 . 5 .
S i n c e i t s a t i s e s c o n d i t i o n s ( H
1
) ( H
5
) a n d ( 3 . 1 5 ) , t h e i n e q u a l i t y ( 3 . 1 4 ) h o l d s f o r f
"
.
A l s o t h e i n e q u a l i t y f f
"
c l e a r l y i m p l i e s t h a t
F ( u ; S ( u ) \ ) F
"
( u ; S ( u ) \ )
Z
S ( u ) \
K
f
"
( x ; u
; u
+
;
u
) d H
N 1
( x ) : >
I f w e n o w l e t " ! 0 a n d u s e ( 3 . 1 3 ) , w e c o n c l u d e t h a t ( 3 . 1 4 ) h o l d s a l s o f o r f .
4 . M e s o s c o p i c s c a l e .
W e a r e i n t e r e s t e d i n t h e f o l l o w i n g c o n s t r a i n e d m i n i m i z a t i o n p r o b l e m
i n f
H ( u ; ) +
Z
( x ; u ( x ) ) d x : u 2 B V ( ; R
p
) ; u ( x ) 2 K f o r L
N
a . e . x 2
;
w h e r e K i s a n o n e m p t y c o m p a c t s e t o f R
p
, a n d : K ! R i s a C a r a t h e o d o r y
f u n c t i o n s u c h t h a t
( 4 . 1 )
j ( x ; u )
j a
0
( x ) f o r
L
N
a . e . x
2 a n d f o r a l l u
2K ,
f o r s o m e f u n c t i o n a
0
2 L
1
( ; R ) . I n a p p l i c a t i o n s i n p h a s e t r a n s i t i o n s , o f t e n K = f a ; b g
o r K i s a c o n v e x s e t .
F o r u 2 L
1
( ; R
p
) w e d e n e t h e f u n c t i o n a l
I ( u ; ) : = H ( u ; ) + I
K
( u ; ) ;
w h e r e
I
K
( u ; ) : =
R
( x ; u ( x ) ) d x i f u ( x ) 2 K f o r L
N
a . e . x 2
+ 1 o t h e r w i s e :
L e m m a 4 . 1 . I f ( H
1
) ( H
7
) h o l d t h e n t h e f u n c t i o n a l I ( u ; ) i s l o w e r s e m i c o n -
t i n u o u s i n L
1
( ; R
p
) .
P r o o f . C o n s i d e r u
n
, u 2 L
1
( ; R
p
) s u c h t h a t u
n
! u i n L
1
( ; R
p
) .
I f l i m i n f
n ! 1
I ( u
n
; ) = 1 t h e r e i s n o t h i n g t o p r o v e . A s s u m e t h a t l i m i n f
n ! 1
I ( u
n
; )
-
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2 0 8 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
( F
1
) t h e r e e x i s t a f u n c t i o n 2 C ( R
p
; R
p
) \ C
1
( R
p
; R
p
) a n d a f u n c t i o n b 2
L
1
( ; R ) s u c h t h a t
( 4 . 2 ) j r
x
( x ; u ) j b ( x ) f o r L
N
a . e . x 2 a n d f o r a l l u 2 K ,
a n d
( 4 . 3 ) h
1
( x ; u ; ) j r
u
( x ; u ) j j j
f o r a l l ( x ; u ; ) 2 K M
p N
;
( F
2
) f o r L
N
a . e . x 2 t h e f u n c t i o n ( x ; ) : K b R
p
! ( x ; K ) b R
p
i s i n v e r t i b l e
a n d ( x ; y ) 7! ( ( x ; ) )
1
( y ) i s C a r a t h e o d o r y . I n a d d i t i o n , t h e r e e x i s t s a f u n c t i o n c 2
L
1
( ; R ) s u c h t h a t
( 4 . 4 ) j ( x ; )
1
( v ) j c ( x ) f o r L
N
a . e . x 2 a n d f o r a l l v 2 ( x ; K ) :
L e t
D ( I ) : = f u 2 L
1
( ; R
p
) : I ( u ; )
-
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n u c l e a t i o n a n d r e l a x a t i o n 2 0 9
( 3 . 5 ) w e h a v e
( 4 . 6 )
Z
h ( x ; u
n
; r u
n
) d x +
Z
h
1
( x ; u
n
; d C ( u
n
) )
+
Z
S ( u
n
) \
K
h
( x ; u
n
; u
+
n
;
u
n
) d H
N 1
M
1
;
f o r s o m e c o n s t a n t M
1
i n d e p e n d e n t o f n . B y ( H
5
) , ( 3 . 1 )
1
a n d ( 4 . 6 )
Z
h
1
( x ; u
n
; r u
n
) d x
Z
( h
1
( x ; u
n
; r u
n
) h ( x ; u
n
; r u
n
) ) d x + M
1
C
0
j j g j j
L
1
+ C
0
j j g j j
m
L
1
Z
h
1 m
( x ; u
n
; r u
n
) d x + M
1
:
U s i n g H o l d e r ' s i n e q u a l i t y a n d ( 4 . 6 ) a g a i n , w e c o n c l u d e t h a t t h e r e e x i s t s M
2
2 ( 0 ; 1 )
s u c h t h a t f o r a l l n
( 4 . 7 )
Z
h
1
( x ; u
n
; r u
n
) d x +
Z
h
1
( x ; u
n
; d C ( u
n
) )
+
Z
S ( u
n
) \
K
h
( x ; u
n
; u
+
n
;
u
n
) d H
N 1
M
2
:
D e n e v
n
: = ( x ; u
n
( x ) ) . A s i n L e m m a 3 . 7 , w e c a n s h o w t h a t v
n
( x ) 2 B V ( ; R
p
)
w i t h
( 4 . 8 ) D v
n
=
r
x
( x ; u
n
) L
N
+ r
u
( x ; u
n
) D u
n
o n n S ( u
n
)
( ( x ; u
+
n
) ( x ; u
n
) )
u
n
H
N 1
b S ( u
n
) o n S ( u
n
) :
F u r t h e r m o r e
( 4 . 9 )
Z
j D v
n
j =
Z
j r v
n
j d x +
Z
j r
u
( x ; u
n
) d C ( u
n
) j
+
Z
S ( v
n
) \
j ( v
+
n
v
n
)
v
n
j d H
N 1
:
B y R e m a r k 2 . 1 7 i n F M 2 ] a n d t h e f a c t t h a t S ( v
n
) = S ( u
n
) a n d
v
n
=
u
n
, w e c a n
r e w r i t e t h e l a s t i n t e g r a l a s
Z
S ( u
n
) \
K
j j
( x ; v
n
; v
+
n
;
u
n
) d H
N 1
w h e r e
K
j j
( x ; v
n
; v
+
n
;
u
n
) : = i n f
(
Z
Q
u
n
j r ( y ) j d y : 2 A ( v
n
( x ) ; v
+
n
( x ) ;
u
n
)
)
:
G i v e n 2 A ( u
n
( x ) ; u
+
n
( x ) ;
u
n
) , i t i s c l e a r t h a t t h e f u n c t i o n ( y ) : = ( x ; ( y ) ) b e l o n g s
t o A ( v
n
( x ) ; v
+
n
( x ) ;
u
n
) a n d t h a t r ( y ) = r
u
( x ; ( y ) ) r ( y ) . B y ( 4 . 3 ) t h i s i m p l i e s
-
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2 1 0 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
t h a t
K
j j
( x ; v
n
; v
+
n
;
u
n
)
i n f
(
Z
Q
u
n
j r
u
( x ; ( y ) ) j j r ( y ) j d y : 2 A ( u
n
( x ) ; u
+
n
( x ) ;
u
n
)
)
K
h
( x ; u
n
; u
+
n
;
u
n
) :
T h e r e f o r e , a l s o b y ( 4 . 2 ) , ( 4 . 3 ) , ( 4 . 7 ) , ( 4 . 8 ) a n d ( 4 . 9 )
( 4 . 1 0 )
Z
jD v
n
j
Z
j r
x
( x ; u
n
)
jd x +
Z
j r
u
( x ; u
n
)
j j ru
n
jd x
+
Z
j r
u
( x ; u
n
) j j d C ( u
n
) j
+
Z
S ( u
n
) \
K
h
( x ; u
n
; u
+
n
;
u
n
) d H
N 1
j j b j j
L
1
+ M
2
:
F i n a l l y , s i n c e v
n
( x ) 2 ( x ; K ) f o r L
N
a . e . x 2 , ( x ; K ) i s a c o m p a c t s e t o f R
p
,
a n d b y ( 4 . 1 0 ) , t h e r e e x i s t s a s u b s e q u e n c e , s t i l l d e n o t e d f v
n
g , w h i c h c o n v e r g e s s t r o n g l y
i n L
1
( ; R
p
) a n d p o i n t w i s e a l m o s t e v e r y w h e r e t o a f u n c t i o n v 2 B V ( ; R
p
) ( s e e Z ,
C o r . 5 . 3 . 4 ] ) , w i t h v ( x ) 2 ( x ; K ) f o r L
N
a . e . x 2 . D e n e u ( x ) : = ( ( x ; ) )
1
( v ( x ) ) .
B y ( F
2
) t h e f u n c t i o n u i s m e a s u r a b l e . S i n c e u
n
( x ) = ( ( x ; ) )
1
( v
n
( x ) ) i t f o l l o w s t h a t
u
n
( x ) ! u ( x ) f o r L
N
a . e . x 2 , t h u s u ( x ) 2 K f o r L
N
a . e . x 2 . M o r e o v e r , b y
( 4 . 4 ) w e h a v e t h a t
ju
n
( x )
j c ( x ) f o r
L
N
a . e . x
2 , t h e r e f o r e b y L e b e s g u e D o m i n a t e d
C o n v e r g e n c e T h e o r e m u
n
! u s t r o n g l y i n L
1
( ; R
p
) . B y L e m m a 4 . 1 w e c o n c l u d e t h a t
I ( u ; ) i n f f I ( u ; ) : u 2 D
1
g :
C o r o l l a r y 4 . 3 . A s s u m e t h a t c o n d i t i o n s ( F
1
) a n d ( F
2
) i n T h e o r e m 4 . 2 a r e r e -
p l a c e d b y t h e a s s u m p t i o n
h
1
( x ; u ; ) j j f o r a l l ( x ; u ; ) 2 K M
p N
,
f o r s o m e > 0 . T h e n D
1
= D ( I ) a n d t h e r e e x i s t s a f u n c t i o n u 2 D
1
s u c h t h a t
I ( u ; ) = i n f f I ( w ; ) : w 2 D
1
g :
P r o o f . I t s u c e s t o t a k e ( x ; u ) : = u i n T h e o r e m 4 . 2 . T h e n v
n
= u
n
c o n v e r g e
s t r o n g l y i n L
1
( ; R
p
) t o a f u n c t i o n v 2 B V ( ; R
p
) , a n d t h e r e f o r e u : =
1
v i s t h e
d e s i r e d m i n i m i z e r .
5 . N u c l e a t i o n : t h e s c a l a r c a s e .
I n t h i s s e c t i o n w e s t u d y t h e c o n s t r a i n e d m i n i m i z a t i o n p r o b l e m i n t r o d u c e d i n
S e c t i o n 4 , r e s t r i c t e d t o t h e s c a l a r c a s e p = 1 , w h e n K i s a c l o s e d , c o n n e c t e d s u b s e t o f
R ( n o t n e c e s s a r i l y b o u n d e d ) , a n d w h e n t h e p o t e n t i a l ( x ; u ) i s g i v e n b y
( x ; u ) : =
1
( x ; u ) + ( x )
2
( u ) ;
w h e r e
1
( x ; u ) i s a C a r a t h e o d o r y f u n c t i o n , c o n c a v e i n t h e u v a r i a b l e , i s a n o n n e g a -
t i v e , m e a s u r a b l e f u n c t i o n , a n d
2
i s a c o n t i n u o u s f u n c t i o n s u c h t h a t
( 5 . 1 )
a l l t h e c o n n e c t e d c o m p o n e n t s o f S : = f u 2 i n t K :
2
( u ) <
2
( u ) g a r e b o u n d e d ;
-
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n u c l e a t i o n a n d r e l a x a t i o n 2 1 1
w h e r e
2
i s t h e c o n v e x e n v e l o p e o f
2
. A s r e m a r k e d i n V 2 ] , ( 5 . 1 ) h o l d s i f
l i m s u p
j u j ! 1
2
( u )
j u j
= 1 :
F u r t h e r m o r e w e a s s u m e t h a t
( 5 . 2 ) ( x ; u ) L
1
L
2
j u j f o r L
N
a . e . x 2 a n d f o r a l l u 2 K ,
f o r s o m e L
1
, L
2
> 0 .
U n d e r a p p r o p r i a t e a s s u m p t i o n s o n t h e f u n c t i o n s h a n d , w e p r o v e t h a t m i n i m i z -
e r s u 2 L
1
( ; R
p
) o f
I : v 2 L
1
( ; K ) 7! H ( v ; ) +
Z
( x ; v ( x ) ) d x
h a v e t h e p h a s e s t r u c t u r e
u ( ) K n S :
I n p a r t i c u l a r , i f K = a ; b ] , i f
2
i s c o n c a v e i n a ; b ] , a n d i f u i s a m i n i m i z e r o f I , t h e n u
m u s t h a v e a 2 - p h a s e s t r u c t u r e , i . e . t h e r e e x i s t s a s e t
0
s u c h t h a t u ( x ) = a f o r L
N
a . e . x 2
0
a n d u ( x ) = b f o r L
N
a . e . x 2 n
0
. T h i s r e s u l t h a s i m p o r t a n t a p p l i c a t i o n s
i n n u c l e a t i o n p h e n o m e n a w h i c h h a v e b e e n s t u d i e d e x t e n s i v e l y b y V i s i n t i n i n V 1 , V 2 ] ,
w h e r e u s u a l l y K i s b o u n d e d ,
1
( x ; u ) : = ( x ) u , 2 L
1
( ; R ) i s p r o p o r t i o n a l t o t h e
r e l a t i v e t e m p e r a t u r e , a n d ( x )
2
( u ) i s t h e d o u b l e w e l l p o t e n t i a l ( x ) ( b u ) ( u a )
( s e e R e m a r k 5 . 2 b e l o w ) . G i v e n a s i m p l e f u n c t i o n u 2 L
1
( ; K ) o f t h e f o r m
( 5 . 3 ) u ( x ) =
k
X
i = 1
c
i
!
i
( x ) ;
w i t h c
i
2 K , L
N
( !
i
) > 0 f o r a l l i = 1 ; ; k , a n d L
N
( n
k
i = 1
!
i
) = 0 , w i t h o u t l o s s o f
g e n e r a l i t y w e m a y a s s u m e t h a t
( 5 . 4 ) i n f K c
1
< c
2
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2 1 2 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
( i i i ) T h e f u n c t i o n c 7! V ( c ) i s c o n c a v e i n K .
I n a d d i t i o n , s u p p o s e t h a t t h e f u n c t i o n a l u 7!
R
( x ; u ( x ) ) d x i s c o n t i n u o u s i n
D ( V ) \ L
1
( ; K ) . T h e n
i n f f V ( u ) + I
K
( u ; ) : u 2 D ( V ) g = i n f
V ( u ) + I
K
( u ; ) : u 2 D ( V ) ; u ( x ) 2 K n S
f o r
L
N
a . e . x
2
:
R e m a r k 5 . 2 . ( i ) T h e f u n c t i o n a l V ( u ) + I
K
( u ; ) i s w e l l d e n e d b y ( 5 . 2 ) .
( i i ) T h e o r e m 5 . 1 i s c l o s e l y r e l a t e d t o T h e o r e m 2 i n V 2 ] , w h e r e K = R a n d
c o n d i t i o n s ( i ) a n d ( i i ) a r e r e p l a c e d b y t h e a s s u m p t i o n t h a t V s a t i s e s t h e g e n e r a l i z e d
c o - a r e a f o r m u l a
( 5 . 6 ) V ( u ) =
Z
R
V (
f x 2 : u ( x ) t g
) d t :
I t i s e a s y t o s e e t h a t ( 5 . 6 ) r e d u c e s t o ( 5 . 5 ) f o r f u n c t i o n s u o f t h e f o r m ( 5 . 3 ) - ( 5 . 4 ) .
T h e r e f o r e ( 5 . 5 ) i s w e a k e r t h a n ( 5 . 6 ) . O n t h e o t h e r h a n d , c o n d i t i o n s ( i ) a n d ( 5 . 6 ) d o
n o t s e e m t o b e r e l a t e d . I n d e e d , c o n s i d e r t h e f u n c t i o n a l
V ( u ) : =
Z
j D u j +
R
m a x f u ( x ) ; 0 g d x i f H
N 1
( S ( u ) \ ) = 0
0 o t h e r w i s e :
F r o m t h e p r o o f o f T h e o r e m 5 . 4 b e l o w i t f o l l o w s t h a t V s a t i s e s h y p o t h e s e s ( i ) | ( i i i ) o f
T h e o r e m 5 . 1 . T a k e u ( x ) : = 1 i n ( 5 . 6 ) ; t h e n V ( 1 ) = L
N
( ) , w h i l e t h e r i g h t h a n d s i d e
o f ( 5 . 6 ) i s i n n i t e . T h e r e f o r e ( 5 . 6 ) f a i l s . W e n o t e t h a t V i s n o t l o w e r s e m i c o n t i n u o u s
i n L
1
.
W e r e m a r k t h a t T h e o r e m 5 . 1 m a y b e a p p l i e d t o a l a r g e c l a s s o f f u n c t i o n a l s o f t h e
f o r m ( 1 . 1 ) , f o r w h i c h t h e c o - a r e a f o r m u l a m i g h t n o t h o l d .
( i i i ) I f , i n a d d i t i o n t o h y p o t h e s e s ( i ) { ( i i i ) i n T h e o r e m 5 . 1 , w e a s s u m e t h a t V i s
l o w e r s e m i c o n t i n u o u s i n L
1
( ; R ) , t h a t K = R , a n d t h a t t h e r e e x i s t a s e t ! 2 E w i t h
0 0 , a n d "
n
: =
1
n
o t h e r w i s e . C l e a r l y u
n
! c
i n L
1
( ; R ) , t h e r e f o r e b y t h e l o w e r s e m i c o n t i n u i t y o f V a n d ( 5 . 5 )
0 V ( c ) l i m i n f
n ! 1
V ( u
n
) = l i m
n ! 1
"
n
V (
!
) = 0 ;
w h e r e w e h a v e u s e d t h e f a c t t h a t V (
!
) f r o m
h y p o t h e s e s ( i ) a n d ( i i ) o f T h e o r e m 5 . 1 a n d f r o m t h e l o w e r s e m i c o n t i n u i t y o f V .
-
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n u c l e a t i o n a n d r e l a x a t i o n 2 1 3
I n o r d e r t o s h o w 4 ) , x u 2 D ( V ) . B y ( i ) t h e r e e x i s t s a s e q u e n c e f u
n
g S
1
c o n v e r g i n g t o u i n L
1
( ; R ) a n d L
N
a . e . x 2 s u c h t h a t
V ( u ) l i m
n ! 1
V ( u
n
) = l i m
n ! 1
Z
R
V (
f x 2 : u
n
( x ) t g
) d t
Z
R
l i m i n f
n ! 1
V (
f x 2 : u
n
( x ) t g
) d t
b y ( 5 . 5 ) a n d F a t o u ' s L e m m a . S i n c e L
N
( f x 2 : u ( x ) = t g ) = 0 f o r a l l t 2 R n M ,
w h e r e L
1
( M ) = 0 , w e x t 2 R n M a n d t a k e a s u b s e q u e n c e f u
n
k
g o f f u
n
g s u c h t h a t
l i m i n f
n ! 1
V (
f x 2 : u
n
( x ) t g
) = l i m
k ! 1
V (
f x 2 : u
n
k
( x ) t g
) :
T h e n f
f x 2 : u
n
k
( x ) t g
g c o n v e r g e s p o i n t w i s e t o
f x 2 : u ( x ) t g
f o r L
N
a . e . x 2 a n d ,
b y L e b e s g u e D o m i n a t e d C o n v e r g e n c e T h e o r e m , a l s o s t r o n g l y i n L
1
( ; R ) . T h e r e f o r e
b y t h e l o w e r s e m i c o n t i n u i t y o f V
l i m i n f
n ! 1
V (
f x 2 : u
n
( x ) t g
) V (
f x 2 : u ( x ) t g
)
f o r L
1
a . e . t 2 R , a n d w e c o n c l u d e t h a t
Z
R
l i m i n f
n ! 1
V (
f x 2 : u
n
( x ) t g
) d t
Z
R
V (
f x 2 : u ( x ) t g
) d t :
W e d o n o t k n o w i f t h e r e v e r s e d i n e q u a l i t y o f 4 ) h o l d s , i . e . i f t h e c o - a r e a f o r m u l a
( 5 . 6 ) i s s a t i s e d .
L e t
: = i n f
V ( u ) + I
K
( u ; ) : u 2 D ( V ) ; u ( x ) 2 K n S f o r L
N
a . e . x 2
:
L e m m a 5 . 3 . I f u 2 S
1
t h e n
V ( u ) + I
K
( u ; ) :
P r o o f . A s I
K
( u ; ) =
1f o r u =
2L
1
( ; K ) i t s u c e s t o p r o v e t h e r e s u l t f o r
u 2 S
1
\ L
1
( ; K ) . B y ( 5 . 1 ) w e c a n d e c o m p o s e t h e o p e n s e t S a s a d i s j o i n t u n i o n o f
b o u n d e d i n t e r v a l s
S =
r 2 R
( a
r
; b
r
) :
F o l l o w i n g V i s i n t i n V 2 ] w e r e p l a c e t h e f u n c t i o n
2
b y
~
2
( u ) : =
8
-
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2 1 4 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
c
i
a
r
f o r a l l i < l ( t h e c a s e s w h e r e l = 1 o r l = k c a n b e t r e a t e d a n a l o g o u s l y ) .
D e n e t h e f u n c t i o n
( t ) : =
k 1
X
i = 1 ; i 6= l 1 ; l
i + 1
( c
i + 1
c
i
) +
l
( t c
l 1
) +
l + 1
( c
l + 1
t ) +
k
X
i = 1 ; i 6= l
i
( c
i
) +
l
( t )
f o r t 2 a
r
; d ] , w h e r e d : = c
l + 1
i f c
l + 1
b
r
a n d d : = b
r
i f c
l + 1
> b
r
. S i n c e
2
( u ) ~
2
( u )
b y c o n s t r u c t i o n , t h e n c l e a r l y V ( u ) + I
K
( u ; ) V ( u ) +
~
I
K
( u ; ) = ( c
l
) . O b s e r v e
t h a t s i n c e ~ ( x ; ) =
1
( x ; ) + ( x ) ~
2
( ) i s c o n c a v e i n a
r
; d ] , t h e n t h e f u n c t i o n
l
( )
i s a l s o c o n c a v e i n a
r
; d ] , a n d ( t ) , b e i n g t h e s u m o f a l i n e a r f u n c t i o n a n d a c o n c a v e
f u n c t i o n , a t t a i n s i t s m i n i m u m a t o n e o f t h e e n d p o i n t s Q o f a
r
; d ] . I t f o l l o w s t h a t
V( u ) + I
K
( u ; )
V( u ) +
~
I
K
( u ; ) = ( c
l
)
( Q ) =
V( u ) +
~
I
K
( u ; )
w h e r e
u ( x ) : =
8
>
>
>
:
P
k
i = 1 ; i 6= l
c
i
!
i
( x ) + a
r
!
l
( x ) i f Q = a
r
P
k
i = 1 ; i 6= l
c
i
!
i
( x ) + b
r
!
l
( x ) i f Q = b
r
P
k
i = 1 ; i 6= l ; l + 1
c
i
!
i
( x ) + c
l + 1
!
l
!
l + 1
( x ) i f Q = c
l + 1
:
I f k = 1 , n a m e l y i f u ( x ) c , t h e n
( 5 . 7 ) V ( u ) + I
K
( u ; ) V ( u ) +
~
I
K
( u ; ) = V ( c ) +
Z
~ ( x ; c ) d x :
A s s u m e t h a t c 2 ( a
r
; b
r
) f o r s o m e r 2 R . S i n c e b y ( i i i ) a n d b y t h e c o n s t r u c t i o n o f ~
2
t h e r i g h t h a n d s i d e o f ( 5 . 7 ) i s a c o n c a v e f u n c t i o n o f c 2 a
r
; b
r
] , i t s i n m u m i s a t t a i n e d
a t o n e o f t h e e n d p o i n t s , s a y a t b
r
, a n d t h u s w e c a n r e p l a c e u ( x ) b y u ( x ) : = b
r
2 K n S .
W e c o n c l u d e t h a t i t i s e n e r g e t i c a l l y p o s s i b l e t o r e d u c e a t l e a s t b y o n e t h e n u m b e r
o f v a l u e s c
i
b e t w e e n a
r
a n d b
r
. R e p e a t i n g t h i s p r o c e d u r e f o r t h e n i t e n u m b e r o f
i n t e r v a l s ( a
r
; b
r
) w h i c h c o n t a i n a t l e a s t o n e o f t h e c
i
, b y m e a n s o f a n i t e i n d u c t i o n
a r g u m e n t w e c a n c o n s t r u c t a s i m p l e f u n c t i o n ^ u o f t h e f o r m
u ( x ) =
k
X
i = 1
c
i
!
i
( x ) ;
w h e r e
k k , s u c h t h a t ^ u ( ) K n ( a
r
; b
r
) f o r a n y r 2 R a n d V ( u ) + I
K
( u ; )
V( u ) +
~
I
K
( u ; ) . S i n c e
2
( u ) = ~
2
( u ) f o r u
2K
nS , i t f o l l o w s t h a t I
K
( u ; ) =
~
I
K
( u ; )
a n d t h u s V ( u ) + I
K
( u ; ) V ( u ) + I
K
( u ; ) . T h i s c o n c l u d e s t h e p r o o f o f t h e
l e m m a .
P r o o f o f T h e o r e m 5 . 1 . L e t u 2 D ( V ) \ L
1
( ; K ) . B y ( i ) t h e r e e x i s t s a s e q u e n c e
f u
n
g S
1
\ L
1
( ; K ) c o n v e r g i n g t o u i n L
1
( ; K ) s u c h t h a t
l i m s u p
n ! 1
V( u
n
)
V( u ) :
M o r e o v e r , b y h y p o t h e s i s
l i m
n ! 1
Z
( x ; u
n
( x ) ) d x =
Z
( x ; u ( x ) ) d x ;
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n u c l e a t i o n a n d r e l a x a t i o n 2 1 5
a n d s i n c e b y L e m m a 5 . 3 V ( u
n
) + I
K
( u
n
; ) , i t f o l l o w s t h a t
V ( u ) + I
K
( u ; ) ;
a n d w e c o n c l u d e t h a t
i n f f V ( u ) + I
K
( u ; ) : u 2 D ( V ) g :
T h e r e v e r s e d i n e q u a l i t y i s t r i v i a l l y s a t i s e d .
I n o r d e r t o a p p l y T h e o r e m 5 . 1 t o f u n c t i o n a l s o f t h e f o r m ( 1 . 1 ) , w e c o n s i d e r t h e
s p e c i a l c a s e w h e r e
h = h ( x ; ) i s p o s i t i v e l y h o m o g e n e o u s o f d e g r e e o n e i n ; ( x ; u ) : = ^ u ; 6= 0 ;
a n d h y p o t h e s e s ( A
1
) ( A
7
) i n S e c t i o n 2 a r e s a t i s e d . C l e a r l y h ( x ; ) = h
1
( x ; ) , a n d
b y T h e o r e m 2 . 2 ( s e e a l s o C o r o l l a r y 3 . 3 , ( 3 . 9 ) , a n d L e m m a 3 . 8 ) , f o r u 2 B V ( ; R ) w e
h a v e
H ( u ; ) =
Z
f ( x ; r u ) d x +
Z
f ( x ; d C ( u ) )
+
Z
S ( u ) \
f ( x ; ( u
+
u
)
u
) d H
N 1
+
Z
u d i v ' d x ;
w h e r e , w e r e c a l l ,
f ( x ; ) = h ( x ; ) + ' ( x )
f o r a l l ( x ; )
2
R
N
:
F u r t h e r m o r e , w e a s s u m e t h a t t h e p o t e n t i a l a l s o s a t i s e s t h e g r o w t h c o n d i t i o n
( 5 . 8 ) ( x ; u ) b
1
( x ) + M
1
( 1 + j u j
q
c
) f o r L
N
a . e . x 2 a n d a l l u 2 K ,
w h e r e b
1
2 L
1
( ; R ) , M
1
> 0 a n d , a s b e f o r e , q
c
i s t h e S o b o l e v e x p o n e n t q
c
: =
N = ( N
1 ) i f N > 1 a n d q
c
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2 1 6 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
T h e m a i n r e s u l t o f t h e s e c t i o n i s t h e f o l l o w i n g t h e o r e m
T h e o r e m 5 . 4 . I f ( H
1
) ( H
7
) a n d ( 5 : 8 ) a r e v e r i e d t h e n
i n f f I ( u ; ) : u 2 B V ( ; K ) g = i n f f I ( u ; ) : u 2 B V ( ; K n S ) g :
R e m a r k 5 . 5 . T h e o r e m 5 . 4 n o l o n g e r h o l d s i n g e n e r a l i f ( x ; ) i s n o n l i n e a r .
I n d e e d , c o n s i d e r t h e s i m p l e c a s e w h e r e : = ( c ; d ) , K : =
1 ; 1 ] ,
H ( u ; ) : =
Z
j D u ( x ) j
Z
@
s i n ( T u ( x ) ) d H
N 1
( x ) ; u 2 B V ( ; R )
a n d ( x ; u ) : = a ( 1 u
2
) . H e r e K n S = f 1 ; 1 g , a n d i f > t h e n a l l c o n d i t i o n s
( H
1
) ( H
7
) a r e s a t i s e d . L e t u 2 B V ( ; R ) , w i t h u ( x ) 2 f 1 ; 1 g f o r L
N
a . e . x 2 .
T h e n I ( u ; ) =
R
j D u ( x ) j 0 . O n t h e o t h e r h a n d , i f w e t a k e u ( x )
1
2
t h e n
I ( u ; ) = 2 +
3
4
a ( d c )
-
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n u c l e a t i o n a n d r e l a x a t i o n 2 1 7
L e t u
n
( x ) : =
P
k
n
i = 1
d
n ; i
!
n i
( x ) , w h e r e
d
n ; i
=
8
>
:
s u p K i f c
n ; i
s u p K
c
n ; i
i f i n f K < c
n ; i
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2 1 8 i r e n e f o n s e c a a n d g i o v a n n i l e o n i
a n d f o r i 2 f 2 ; ; k 1 g
( 5 . 1 2 )
i 1
X
j = 1
Z
@ !
i
\ @ !
j
\
f ( x ;
i
) d H
N 1
k
X
l = i + 1
Z
@ !
l
\ @ !
i
\
f ( x ;
l
) d H
N 1
=
Z
@ (
k
l = i
!
l
) \
f ( x ;
i
) d H
N 1
Z
@ (
k
l = i + 1
!
l
) \
f ( x ;
i + 1
) d H
N 1
;
w h e r e ^
i
a n d ^
i + 1
a r e , r e s p e c t i v e l y , t h e o u t w a r d u n i t n o r m a l s t o t h e s e t s
k
l = i
!
l
a n d
k
l = i + 1
!
l
. I t n o w f o l l o w s f r o m ( 5 . 1 1 ) { ( 5 . 1 2 ) t h a t
V ( u ) = c
k
V (
!
k
) c
1
V (
k
l = 2
!
l
) +
k 1
X
i = 2
c
i
V (
k
l = i
!
l
)
k 1
X
i = 2
c
i
V (
k
l = i + 1
!
l
) ;
w h i c h i s ( i i ) .
F i n a l l y , b y ( 5 . 2 ) , ( 5 . 8 ) a n d t h e S o b o l e v i n e q u a l i t y , t h e f u n c t i o n a l u 7!
R
( x ; u ( x ) ) d x
i s c o n t i n u o u s i n B V ( ; K ) ( s e e K , T h . 2 . 1 ] ) . T h e r e f o r e w e c a n n o w a p p l y T h e o r e m
5 . 1 ( w i t h ( x ; u ) r e p l a c e d b y ( x ; u ) + u d i v ' ( x ) ) t o o b t a i n t h a t
i n f f I ( u ; ) : u 2 B V ( ; K ) g = i n f f I ( u ; ) : u 2 B V ( ; K n S ) g :
C o r o l l a r y 5 . 7 . A s s u m e t h a t K = a ; b ] i n T h e o r e m 5 . 4 . T h e n t h e r e e x i s t s a
f u n c t i o n u 2 B V ( ; a ; b ] n S ) s u c h t h a t
I ( u ; ) = i n f f I ( u ; ) : u 2 B V ( ; a ; b ] ) g :
P r o o f . B y T h e o r e m 5 . 4
i n f f I ( u ; ) : u 2 B V ( ; a ; b ] ) g = i n f f I ( u ; ) : u 2 B V ( ; a ; b ] n S ) g = :
T o c o m p l e t e t h e p r o o f i t s u c e s t o a p p l y C o r o l l a r y 4 . 3 , w i t h K : = a ; b ]
nS , t o n d
u 2 B V ( ; a ; b ] n S ) s u c h t h a t I ( u ; ) = .
R e m a r k 5 . 8 . I f w e a s s u m e t h a t
2
i s c o n c a v e i n a ; b ] , t h e n S = ( a ; b ) a n d
c o n s e q u e n t l y t h e m i n i m i z e r u i n C o r o l l a r y 5 . 7 h a s t h e p r o p e r t y t h a t u ( x ) 2 f a ; b g f o r
L
N
a . e . x 2 .
A c k n o w l e d g m e n t s . P a r t o f t h i s r e s e a r c h w a s u n d e r t a k e n d u r i n g G . L e o n i ' s v i s i t t o
t h e C e n t e r f o r N o n l i n e a r A n a l y s i s u n d e r t h e C N A / C M U { C N R p r o j e c t . T h e r e s e a r c h
o f I . F o n s e c a w a s p a r t i a l l y s u p p o r t e d b y t h e N a t i o n a l S c i e n c e F o u n d a t i o n t h r o u g h t h e
C e n t e r f o r N o n l i n e a r A n a l y s i s , a n d b y t h e N a t i o n a l S c i e n c e F o u n d a t i o n u n d e r g r a n t
N o . D M S { 9 5 0 0 5 3 1 . T h e a u t h o r s a r e d e e p l y i n d e b t e d t o L u c T a r t a r f o r m a n y f r u i t f u l
a n d s t i m u l a t i n g d i s c u s s i o n s i n t h e s u b j e c t o f t h i s w o r k .
R E F E R E N C E S
A B S ] A l b e r t i G . , G . B o u c h i t t
e a n d P . S e p p e c h e r , P h a s e t r a n s i t i o n w i t h l i n e t e n s i o n e e c t ,
s u b m i t t e d t o A r c h . R a t . M e c h . A n a l .
A D M 1 ] A m b r o s i o L . a n d G . D a l M a s o , A g e n e r a l c h a i n r u l e f o r d i s t r i b u t i o n a l d e r i v a t e s , P r o c .
A m e r . M a t h . S o c . , 1 0 8 ( 1 9 8 8 ) , p p . 6 9 1 - 7 0 2 .
A D M 2 ] A m b r o s i o L . a n d G . D a l M a s o , O n t h e r e l a x a t i o n i n B V ( ; R
m
) o f q u a s i { c o n v e x i n t e -
g r a l s , J . F u n c t . A n a l . , 1 0 9 ( 1 9 9 2 ) , p p . 7 6 - 9 7 .
-
7/25/2019 Fonseca I., Leoni G. - Bulk and contact energies nucleation and relaxation(1999)(30).ps
30/30
n u c l e a t i o n a n d r e l a x a t i o n 2 1 9
A M T ] A m b r o s i o L . , S . M o r t o l a a n d V . M . T o r t o r e l l i , F u n c t i o n a l w i t h l i n e a r g r o w t h d e n e d
o n v e c t o r { v a l u e d B V f u n c t i o n s , J . M a t h . P u r e s e t A p p l . , 7 0 ( 1 9 9 1 ) , p p . 2 6 9 - 3 2 2 .
B F M ] B o u c h i t t
e , G . I . F o n s e c a a n d L . M a s c a r e n h a s , A g l o b a l m e t h o d f o r r e l a x a t i o n , s u b -
m i t t e d t o A r c h . R a t . M e c h . A n a l .
C ] C a h n J . W . , C r i t i c a l p o i n t w e t t i n g , J . C h e m . P h y s . , 6 6 ( 1 9 7 7 ) , p p . 3 6 6 7 - 3 6 7 2 .
C H 1 ] C a h n J . W . a n d J . E . H i l l i a r d , F r e e e n e r g y o f a n o n { u n i f o r m s y s t e m I : i n t e r f a c i a l
e n e r g y , J . C h e m . P h y s . , 2 8 ( 1 9 5 8 ) , p p . 2 5 8 - 2 6 7 .
C H 2 ] C a h n J . W . a n d J . E . H i l l i a r d , F r e e e n e r g y o f a n o n { u n i f o r m s y s t e m , J . C h e m . P h y s . ,
2 8 ( 1 9 5 9 ) , p p . 6 8 8 - 6 9 9 .
D M ] D a l M a s o G . , I n t e g r a l r e p r e s e n t a t i o n o n B V ( ) o f { l i m i t s o f v a r i a t i o n a l i n t e g r a l s ,
M a n u s c r i p t a M a t h . , 3 0 ( 1 9 8 0 ) , p p . 3 8 7 - 4 1 6 .
E G ] E v a n s L . C . a n d R . F . G a r i e p y , M e a s u r e T h e o r y a n d F i n e P r o p e r t i e s o f F u n c t i o n s , C R C
P r e s s , 1 9 9 2 .
F ] F o n s e c a I . , L o w e r s e m i c o n t i n u i t y o f s u r f a c e e n e r g i e s , P r o c . R . S o c . E d i n . , 1 2 0 A ( 1 9 9 2 ) ,
p p . 9 9 - 1 1 5 .
F M 1 ] F o n s e c a I . a n d S . M
u l l e r , Q u a s i { c o n v e x i n t e g r a n d s a n d l o w e r s e m i c o n t i n u i t y i n L
1
,
S I A M J . M a t h . A n a l . , 2 3 ( 1 9 9 2 ) , p p . 1 0 8 1 - 1 0 9 8 .
F M 2 ] F o n s e c a I . a n d S . M
u l l e r , R e l a x a t i o n o f q u a s i c o n v e x f u n c t i o n a l s i n B V ( ; R
p
) f o r i n -
t e g r a n d s f ( x ; u ; r u ) , A r c h . R a t . M e c h . A n a l . , 1 2 3 ( 1 9 9 3 ) , p p . 1 - 4 9 .
F R ] F o n s e c a I . a n d P . R y b k a , R e l a x a t i o n o f m u l t i p l e i n t e g r a l s i n t h e s p a c e B V ( ; R
p
) , P r o c .
R o y . S o c . E d i n b . S e c t . A , 1 2 1 ( 1 9 9 2 ) , p p . 3 2 1 - 3 4 8 .
G S e ] G o f f m a n C . a n d J . S e r r i n , S u b l i n e a r f u n c t i o n s o f m e a s u r e s a n d v a r i a t i o n a l i n t e g r a l s ,
D u k e M a t h . J . , 3 1 ( 1 9 6 4 ) , p p . 1 5 9 - 1 7 8 .