论文标题
二维Lennard-Jones晶体的动力稳定性理论
Theory of dynamical stability for two- and three-dimensional Lennard-Jones crystals
论文作者
论文摘要
已经研究了三维（3D）Lennard-Jones（LJ）晶体的动力稳定性多年。以面部为中心的立方体和六角形的关闭填充结构是动态稳定的，而以人体为中心的立方结构仅适用于远程LJ电位，其特征是相对较小的整数对$（m，n）$。在这里，我们研究了二维（2D）LJ晶体的动力稳定性，该晶体假定平面六边形，弯曲的蜂窝和屈曲的正方形结构。我们证明，根据$（m，n）$，2D和3D LJ晶体的稳定性可以分为四组。在分析表达式中研究了平面六角形，屈曲正方形和以身体为中心的立方结构的不稳定性。还讨论了LJ晶体与周期表中的元素金属之间的结构稳定关系。
The dynamical stability of three-dimensional (3D) Lennard-Jones (LJ) crystals has been studied for many years. The face-centered-cubic and hexagonal close packed structures are dynamically stable, while the body-centered cubic structure is stable only for long range LJ potentials that are characterized by relatively small integer pairs $(m,n)$. Here, we study the dynamical stability of two-dimensional (2D) LJ crystals, where the planar hexagonal, the buckled honeycomb, and the buckled square structures are assumed. We demonstrate that the stability property of 2D and 3D LJ crystals can be classified into four groups depending on $(m,n)$. The instabilities of the planar hexagonal, the buckled square, and the body-centered cubic structures are investigated within analytical expressions. The structure-stability relationship between the LJ crystals and the elemental metals in the periodic table is also discussed.
