Artificial Material with Negative Thermal Expansion: A Simple Geometrical Approach

الأصل · EN

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