Work

Vibrational properties of bcc U and Mo at different temperatures

Year: 2016

Type: conference-paper

Abstract: An accurate description of the vibrational density of states is required for calculation of thermodynamic properties of crystal lattices as well as defect migration rates in the Vineyard theory framework. In this work we use EAM and MEAM interatomic potentials and apply the zero temperature lattice dynamics calculations and the velocity autocorrelation function calculations at finite temperatures to study vibrational density of states in bcc molybdenum and bcc uranium lattices. The latter case is especially interesting since γ-U is thermodynamically not favorable at low temperatures and is not observed in experiments.

Source: Journal of Physics Conference Series

DOI: 10.1088/1742-6596/774/1/012031

Authors: 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

OpenAlex ID: W2559612934

FWCI: 2.963

Cites: 32

Cited by: 2

Related to: 10