Work

Phonon density of states for solid uranium: Accuracy of the embedded atom model classical interatomic potential

Year: 2018

Type: conference-paper

Abstract: An accurate computation of the vibrational properties of a crystal lattice, such as phonon density of states and dispersion curves, is necessary for the description of thermodynamic properties of the solid state as well as defect migration rates. In this work, we use a simple embedded atom model classical interatomic potential. The phonon density of states for the α and γ phases of uranium at different temperatures was calculated by three methods: the lattice dynamics approach, the Fourier transformation of the velocity autocorrelation function and the Green's function method for lattice dynamics.

Source: Journal of Physics Conference Series

DOI: 10.1088/1742-6596/946/1/012094

Authors: A S Antropov, K S Fidanyan, V V Stegailov

Institutions: Moscow Institute of Physics and Technology, Joint Institute for High Temperatures

Language: English

Topic: Nuclear Materials and Properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: diamond

Funder: Russian Science Foundation

Awards: G319280795, G7131804313