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Study on C–W interactions by molecular dynamics simulations

Author:
Zhongshi Yang   Q. Xu   Junqi Liao   Q. Li   G.-H. Lu   G.-N. Luo  


Journal:
Nuclear Instruments & Methods in Physics Research, Section B (Beam Interactions with Materials and Atoms)


Issue Date:
2009


Abstract(summary):

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 lang100rang and lang110rang directions. The mutual interaction between a vacancy and near interstitial C atom is also studied. [All rights reserved Elsevier].


Page:
3144-3147


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