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| Calculation Of Diffusion Barriers For Helium Atom In Vanadium By Effective Medium Theory |
| WU Zhongcheng; PENG Shuming; YANG Maonian; |
| Institute of Nuclear Physics and Chemistry; China Academy of Engineering Physics |
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Cite this article:
WU Zhongcheng; PENG Shuming; YANG Maonian. Calculation Of Diffusion Barriers For Helium Atom In Vanadium By Effective Medium Theory. Acta Metall Sin, 2004, 40(1): 36-39 .
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Abstract The diffusion barriers for the single helium atom in vanadium are studied by effective medium theory, in which the structure relaxation caused by the embedded atom is considered. The most possible diffusion path and diffusion barrier are determined. A single helium atom has the minimum energy about 4.37 eV in the tetrahedral interstitial site of bcc vanadium, and the embedding energy in octahedral interstitial site is larger than that in tetrahedral interstitial site. Helium atom in the bcc vanadium crystal diffuses along the path linked with positions (1, 1/4, 1/2), (1, 1/2, 1/2) and (1, 3/4, 1/2) on the (1 0 0) plane or the equivalent paths on corresponding planes.
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Received: 23 January 2003
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[1] Norskov J K, Lang N D. Phys. Rev, 1980; B21:2131
[2] Norskov J K. Phys Rev, 1982; B26:2875
[3] Nordlander P, Norskov J K , Besenbacher F. J Phys F: Met Phys, 1986; 16:1161
[4] Long D S, Wang Y S. Chin J Atomic Molecular Phys,(龙德顺,王炎林.原子与分子物理学报,1998;7:231)
[5] Wilson W D, Johson R A. In: Geehlen P C, BeelerJ R, Jaffee R I eds., Interatomic Potentials and Simulation of Lattice Defects. New York: Pleum Press, 1972:375
[6] Lasser R. Tritium and Helium-3 in Metals. Berlin: Springer-Verlag, 1989:108 |
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