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Study on C-W interactions by molecular dynamics simulations |
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| Authors: | Zhongshi Yang Junqi Liao G-H Lu |
| Affiliation: | a Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, Hefei 230031, China b Department of Applied Physics, Tianjin University, Tianjin 300072, China c Department of Physics, Beijing University of Aeronautics and Astronautics, Beijing 100083, China |
| Abstract: | By means of molecular dynamics simulations using bond-order potential (BOP), we have investigated the interactions between carbon (C) atoms and bcc tungsten (W). At finite temperature (T = 300 K) with incident energy of C atoms ranging from 0.5 to 100 eV at normal incidence, the projected range distribution as a function of incident energy and the average depth have been depicted. The properties of vacancy, vacancy migration, interstitial and substitutional C atoms in W have been determined. The most stable configuration for an interstitial C atom in W is in octahedral position and the lattice distortion around the C atom in octahedral interstitial configuration occurs along 〈1 0 0〉 and 〈1 1 0〉 directions. The mutual interaction between a vacancy and near interstitial C atom is also studied. |
| Keywords: | 31 15 xv 52 40 Hf 61 72 J&minus 61 80 &minus x 81 05 Bx |
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