book/分子动力学/Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide.md
2024-04-26 16:41:26 +08:00

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# Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide
这里重新拟合了各个参数,并将 Si-C 对的参数单独拿出来拟合而不是直接使用 Si 和 C 的平均值。
拟合时主要使用了纯 Si、纯 C 和 3C-SiC。截断取得也不算很大最大的为 Si-Si 2.96 Å。