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, ,
, e-mail: Gretchihin@yandex.ru
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, e-mail: phti@tut.by
,
, , e-mail: maratovna81@tut.by
DOI: 10.5937/vojtehg63-7721
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29
, . . , pp. 2941
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30- . (, 1952). , (. 1).
1 ,
Tabela 1 Metode prorauna i rezultati odreivanja izjednaenog rastojanja,
energije disocijacije i efektivnog punjenja molekula vodonika
Table 1 Calculation methods and the results of determining equalized distance,
dissociation energy and efficient hydrogen molecule charge
1. -
2. -
3.
4.
5. (1)
(2)
6.
7.
5-
11-
13-
Re,
0,80
0,73
0,76
0,77
0,77
0,75
D,
3,2
3,47
3,6
3,76
4,0
4,1
4,02
0,74
0,74
0,7395
4,507
4,685
4,698
4,722 0,013
4,73 0,04
'
Z
1,193
1,166
1,193
1,190
1,19
-
.
.
, .
- ,
. -
30
31
, . . , pp. 2941
. . .
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.
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, . , 0 1. 0,256. .
. , 13 , , .
.
Z`
,
. , .
. 13 , .
, .
: - ,
,
:
- ;
- - ;
;
;
;
- .
.
-
, . 1. , , ,
:
a , b = a ,1b , 2 + a , 2 b ,1 .
(1)
r
1
R
1 -
Slika 1 ema binarne interakcije
Figure 1 Binary interaction scheme
32
A( B )
Z
=
n
1/ 2
exp ra (b )
n
(2)
Z* n* -
.
Z* = 1 n* = 1. ra = rb =
0,529 , Ra,b = Re = 0,7395 .
.
(2) , .
(1)
:
H a ,b = E a ,ba ,b ,
(3)
H - ; Ea , b - .
:
1
1
1
1
H =
+
+
.
ra , 2
rb ,1
r1 , 2
R a ,b
33
(4)
, . . , pp. 2941
r1,2
ra,1
ra , 2
rb ,1
rb , 2
2 -
Slika 2 ema interakcije jednog para estica elektrona A i B u binarnom pribliavanju
Figure 2 Scheme of the interaction of one pair of electron particles A and B in binary bonding
Ra,b
.
. 2 .
(3) , (1) (4), :
W =
H 1,1 + H 1, 2
1+ S
(5)
H 1,1 = a* ( ra ,1 ) b* ( rb , 2 )H a ( ra ,1 ) b ( rb , 2 ) d 1 d 2
H 1, 2 = a (ra , 2 )b (rb,1 ) H a (ra , 2 )b (rb,1 )d1 d 2
S=
(r
*
a
a ,1
) b* ( rb , 2 ) a ( ra , 2 ) b ( rb ,1 )d1d 2 .
,
, ( . 1952).
*
a
1
a (ra , 2 )b (rb ,1 )d 1 d 2 ,
r1, 2
34
(6)
1
1
= G G G = ra,1Ra,(b +1) P (cos ),
r1, 2
R (ra rb ) = 0
(7)
U (r ) =
a
b
+ 12 ,
6
r
r
(8)
b -
(8) , ..,
a = 2 E Ra6,b ; b = E Ra12,b .
(9)
. 2.
(. 1). ,
.
2 ,
,
Tabela 2 Vrednost kovalentne, jonske i indukovane veze pri uzajamnoj interakciji eV
Table 2 Value of the covalent, ionic and induction bonding at the mutual interaction eV
Ra,b,
0,7395
.
3,19
0,598
0,911
.,,
4,70
.,.
4,730,04
S ,
.
35
, . . , pp. 2941
, 1 / r1, 2
. , .
( ., . 1978.)
,
4. .
,
, , , .
.
( . 1965).
.
. , .
, . :
2 rn
,
vn
(10)
rn vn n-
.
.
-
k
:
Z e 2
2 0 hn
vk =
Z e 2
2 h l (l + 1)
0
l = 0;
,
(11)
l 1;
n ;
; h ;
36
l (l + 1) ,
l 1
.
n =
EH
; Z = S / 2,
i k
(12)
, i
; k
2
; S = 4 0 r i / e
,
i r .
1 2 , :
P1 =
2
,
1
1 + 2 1 + 2
(13)
P2 =
1
.
1
1 + 2 1 + 2
(14)
, .
:
= P1 + P2 .
(15)
37
, . . , pp. 2941
, Z .
-
: 1
1 S, 2 S.
,
E. =
2 P1 P2 S (1 S )e 2
.
4 0 Ra ,b
(16)
1)
.
, ,
.
1(1-S). , 2(1-S). , .
E .
2 P1 P2 (1 S ) 2 e 2
=
(1 D)
4 0 0,5 Ra ,b
(17)
D .
(17) . 2.
. ,
, .
1)
,
.
38
( . . 2004) ( . . 2008), ( . ., . .,
. . . 1990).
:
1. :
)
; )
, ) ..
(1) (2).
-, .
2.
.
3.
,
.
4. - - .
, . ( . . 2012).
,
, .
39
, . . , pp. 2941
. ,
.
.
/ Literature
, . 1952. . (
).: ., .279. (Gombas, P.1952. Theory and method solution of many particle problems in Quantum mechanics. Mir, p.270).
, .. 2004. . ,
, ..: ""., .399.
(Gretchikhin, L.I. 2004. Physics of nanoparticles and nanotechnologicals. General foundations, mechanical, thermal and emission properties. Mn.: UP Technoprint, p.399).
, .. 2008. .:
., .406. (Gretchikhin, L.I. 2008. Nanoparticles and nanotechnologicals.
Mn.: IOOO Law and Economics, p.406).
, .., , .., , .., & ., 1990.
. , 3, .76-81. (Gretchikhin, L.I., Vasilenko, A.G., Spiridonov, N.V. and others. 1999. Increase of adhesives connection gas-thermal
surface ways and means of the laser radiation. /Physics and Chemistry process, 3, pp.76-81).
,
..
2012.
40
FIELD: Nanomaterials
ARTICLE TYPE: Original Scientific Paper
ARTICLE LANGUAGE: Russian
Summary:
One has substantiated the existence of a potential barrier at the
interface of interacting particles. The formation of the potential barrier
in the contact area significantly increases the binding energy of the binary interaction. It has been shown which sets of different interactions
should be taken into account when establishing the energy of binary
binding.
Key words: binary interaction, potential barrier, binding energy.
Datum prijema lanka / Paper received on / : 12. 02. 2015.
Datum dostavljanja ispravki rukopisa / Manuscript corrections submitted on /
: 14. 03. 2015.
Datum konanog prihvatanja lanka za objavljivanje / Paper accepted for publishing on /
: 16. 03. 2015.
41
, . . , pp. 2941
Saetak: