Professional Documents
Culture Documents
JMMF
17
JMMF
potential by the integrating extended over all twodimensional space. In analytical treatment has no need to limit
the range of the pair potential by forcing it to vanish at
relatively small separations. We used an effective Morse
potential for tungsten [1], based on fitting perfect crystal
lattice properties.
jk
yjk
j k ( j ) lm p
p Dp
q3plm
(4)
xjk
(1)
(a)
E jk
1
Aj Ak
v~(Gc , z jk ) exp(iGc T jk )
(2)
(b)
jk
p Dp
( p2 G2 )3 / 2
(1 z jk p2 G2 ) exp(z jk p2 G2 )
. (3)
18
JMMF
-2
Es (Jm )
0,8
0,4
0,0
-0,4
2
10
Fig. 3 Normal atomic displacements near the {211} and {110} general twist
boundaries in tungsten, obtained by atomistic relaxation. The boundary plane
is between layers 0 and 1; most of the GB dilatation is taken up between these
layers
12
Fig. 2 The excess energy of {111} atomic layers near the incoherent twin
boundary vs the number of atomic layer
xx
2Py (1 )
y
x2
2
),
E
x y2
x2 y 2
(5)
yy
2Py (1 )
y
y2 ,
2
( 2
)
2
E
x y
x y2
(6)
zz xz yz 0 ,
(7)
sinh(Y )
2 1 ,
Py (1 ) Y
Uy
cosh(Y ) cos(X )
2 E
(8)
19
JMMF
el
0,6
0,4
yy
0,2
0,0
-0,2
-0,4
1
10
N
Fig. 4 Oscillatory behavior of interlayer strain perpendicular to the boundary
with a fast decaying profile
1 2
yy2 xx yy
2E xx
E
(9)
Esel
of deformed
ACKNOWLEDGMENT
This work was performed under the auspices the NATO
International Program and the Program of the National
Academy of Sciences of the Ukraine Nanosystems,
nanomaterials and nanotechnologies.
REFERENCES
[1]
10
[2]
-1
10
-3
10
el
Es (Jm-2)
[3]
-5
10
[4]
-7
10
-9
10
-11
10
[5]
2
10
12
[6]
Fig. 5 The strain energy of a monolayer of deformed elastic body near the
3 {111} <110> tilt GB
[7]
[8]
[9]
20