负热膨胀人造材料的简单几何分析
Artificial Material with Negative Thermal Expansion: A Simple Geometrical Approach
摘要：
本文介绍了具有负热膨胀（NTE）的材料的建模和设计。基本假设是材料中原子之间的势可以近似为Lennard-Jones势（6-12），并且主要相互作用仅在最近的邻居之间。当满足sigma_AA = sigma_BB = sigma_AB，sigma_AA = sigma_BB <sigma_AB/4时，由交替原子层形成的材料可能经历NTE，其中sigma_ij和sigma_ij是Lennard-Jones参数
英文摘要：
In the paper we report the modeling and design of material which has a negative thermal expansion (NTE). The basic assumption is a potential between the atoms in the material can be approximated by a Lennard-Jones potential (6-12) and the dominant interaction is only between nearest neighbors. We show that the material formed by alternating atomic layers wherein each layer contains a type of atom, and geometry of the arrangement of atoms is triangular, may experience an NTE when sigma_AA = sigma_BB = sigma_AB, epsilon_AA = epsilon_BB < epsilon_AB/4 are satisfied, where sigma_ij and epsilon_ij are Lennard-Jones parameters
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