Harmonic interlayer potential with no higher-order contributions.
收藏doi.org2025-01-21 收录
下载链接：
http://doi.org/10.17632/4s6sy4b4nf.1
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资源简介：
Perl script for creating a table-style inter-atomic potential for using in lammps scripts. Contains the potential file itself as well. While the inter-atomic potential is not exactly harmonic, it results in a perfectly harmonic interaction between crystallographic layers in FCC crystal.
用于在 LAMMPS 脚本中创建表格式原子间势能的 Perl 脚本。其中包含势能文件本身。尽管原子间势能并非完全为谐波性质，但其在面心立方晶体中导致晶面间呈现出完美的谐波相互作用。
提供机构：
Mendeley Data
