Artificial Material with Negative Thermal Expansion: A Simple Geometrical Approach
Abstract
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 sigmaAA = sigmaBB = sigmaAB, epsilonAA = epsilonBB < epsilonAB/4 are satisfied, where sigmaij and epsilonij are Lennard-Jones parameters
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