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2020 IPS Conference
Study Materials
Corporate Members
Home
About/Contact
Newsletters
Events/Seminars
2020 IPS Conference
Study Materials
Corporate Members
Large scale modeling of condensed phases of elemental materials using atomistic molecular dynamics is necessary for studying phase transformations, dynamical, and material properties. The challenge lies in developing realistic inter-atomic potentials. Embedded-atom type many-body models are a promising class of potentials to be explored. In particular, a many-body model for describing rare-gas solids is proposed. The model is used to calculate the pressure-dependent elastic constants, Cauchy discrepancies, and melting curves of Ne, Ar, Kr, and Xe. It is shown that a spherically symmetric many-body model cannot reproduce the high-pressure elastic properties of the system. The model successfully reproduces the experimentally observed negative Cauchy discrepancies and improves the agreement of the melting curves of rare-gas solids compared to pair-interacting calculations.