Abstract
Based on the first principles and quantum mechanics, a new approach is put forward to calculate the cohesive energy of face-centered cubic solid neon, in which both the two-body and the total many-body interaction potentials are reasonably emphasized by a new combination formula. It shows that the new scheme is a simple and accurate tool to understand the high-pressure behaviors of solid neon, and it will be applied to calculate the compression curves of dense Helium, Argon, Krypton and Xenon at very high pressures. It is expected that this method can be applicable to all rare gas, including the gas, solid, and liquid phase regions, even of molecular systems, ionic systems.
Publisher
Trans Tech Publications, Ltd.
Subject
Mechanical Engineering,Mechanics of Materials,General Materials Science
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