Embedded-atom Potential for Oxygen

来源 :Journal of Materials Science & Technology | 被引量 : 0次 | 上传用户:eworld5008
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The analytic embedded-atom potential for oxygen is developed from the experimental data and the results of the first-principle. The potential is used to predict the geometries and energies of O3, fcc. bcc, sc and diamond. The predictions are in good agreement with experimental data available and other theoretical results. The analytic embedded-atom potential for oxygen is developed from the experimental data and the results of the first-principle. The potential is used to predict the geometries and energies of O3, fcc. Bcc, sc and diamond. The predictions are in good agreement with experimental data available and other theoretical results.
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