|
|
|
| Molecular Dynamics Simulation of Formation and Probability of Twinning in <111> Grown Copper Films |
| ZHOU Naigen; ZHOU Lang |
| School of Materials Science and Engineering; Nanchang University; Nanchang 330047 |
|
Cite this article:
ZHOU Naigen; ZHOU Lang. Molecular Dynamics Simulation of Formation and Probability of Twinning in <111> Grown Copper Films. Acta Metall Sin, 2004, 40(9): 897-902 .
|
|
|
Abstract Molecular dynamics/statics study of the atom process and relevant
energy for formation of the twins in <111> grown copper
films have been carried out. An embedded atom
method (EAM) potential of Finnis-Sinclair type
was employed. The results show that the
deposited atoms on <111> grown
copper films can form fcc domains or hcp domains in different
localities. When atoms deposited at hcp positions, the energy of
the system is higher than that at fcc positions.
The increment decides the probability of twin formation. It is
further indicated that the mismatch energy of the deposited atom is
greatly affected by previously formed \{111\} twin plane.
When the distance between surface and the twin plane underneath is smaller
than three atomic layers, the mismatch energy is as
high as that for perfect crystal of
aluminum which does not form twins
in <111> growth, and hence the probability for formation of
twin is very low. As the distance increases,
the mismatch energy rapidly
decreases, and even becomes slightly
lower than that on {111} plane of perfect copper crystal after the
distance reaches twelve atomic layers, implying that the
probability for formation of twin plane is
higher than that on {111} surface of perfect crystal.
|
|
Received: 17 September 2003
|
|
|
[1] Rosenberg R, Edelstein D C, Hu C K, Rodbell K P. AnnuRev Mater Sci, 2000; 30: 229
[2] Zhou X W, Wadley H N G. Ada Mater, 1999; 47: 1063
[3] Zhou L, Zhou'N G, Li D G. In: Chinese Materials Research Society ed., Progress in Materials Science and Engineering' 2002, Beijing: Metallurgical Industry Press, 2003: 1830 (周 浪,周耐根,李殿国见:中国材料学会主编, 2002年材料科学与工程新进展,北京:冶金工业出版社,2003:1830)
[4] Auckland G J, Tichy G, Vitek V, Finnis M W. Philos Mag, 1987; 56A: 735
[5] Peng B, Cai M, Li G, Wu X J, Zhou F. Nanostruct Mater, 1994; 4: 475
[6] Wen Y H, Zhou F X, Liu Y W. Chin Phys Lett, 2001; 18: 411
[7] Zhou N G, Zhou L, Zhu S L. In: Chinese Materials Research Society ed., Progress in Materials Science, and Engineering' 2002, Beijing: Metallurgical Industry Press, 2003: 1880(周耐根,周 浪,朱圣龙.见:中国材料学会主编, 2002年材料科学与工程新进展,北京:冶金工业出版社,2003:1880)
[8] Wen Y H, Zhou F X, Liu R W, Zhou C E. J Mech, 2002; 34: 29(文玉华,周富信,刘日武,周承恩.力学学报,2002;34:29)
[9] Ercolessi F, Adams J B. Europhys Lett, 1994; 26: 583
[10] Zhou L, Zhou N G, Zhu S L. Acta Metall Sin, 2002; 38: 795(周 浪,周耐根,朱圣龙.金属学报, 2002;38:795)
[11] Zhou L, Zhu S L. Scr Mater, 2002; 47: 677
[12] Toxvared S. Phys Rev, 1993; 47E: 343
[13] Feng D, et al. The Physics of Metals. Beijing: Science Press, 1998: 333(冯端等著.金属物理学.北京:科学出版社, 1998:333)
[14] Fleming S D, Parkinson G M, Rohl A L. J Cryst Growth, 1997; 178: 402 |
| No Suggested Reading articles found! |
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
Cited |
|
|
|
|
| |
Shared |
|
|
|
|
| |
Discussed |
|
|
|
|
