金属中氦原子扩散势垒的计算

Long De-shun, Xu Hui-zhong, Wang Yan-sen, Zhao Guo-qing, Peng Shuming, Zhao Peng-ji, Xu Zhi-lei
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引用次数: 1

摘要

用有效介质理论系统地研究了三维过渡金属中单个氦原子的扩散势垒。在计算中,考虑了晶格的松弛效应。计算结果与现有的实验数据和其他理论值比较,结果吻合较好。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
CALCULATION OF DIFFUSION BARRIERS FOR HELIUM ATOM IN METALS
The diffusion barriers for the single helium atom in 3d transition metals are systematically studied by effective medium theory without any adjustable parameters. In the calculation, the relaxiation effects of lattice are taken into account. The comparison of our calculated results with the available experimental data and other theoretical values shows good agreement.
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