info:eu-repo/semantics/article
Phonon spectrum, mechanical and thermophysical properties of thorium carbide
Fecha
2013-01Registro en:
Perez Daroca, Diego Raul; Jaroszewicz, Sebastian; Llois, Ana Maria; Mosca, Hugo Osvaldo; Phonon spectrum, mechanical and thermophysical properties of thorium carbide; Elsevier Science; Journal of Nuclear Materials; 437; 1-3; 1-2013; 135-138
0022-3115
CONICET Digital
CONICET
Autor
Perez Daroca, Diego Raul
Jaroszewicz, Sebastian
Llois, Ana Maria
Mosca, Hugo Osvaldo
Resumen
In this work, we study, by means of density functional perturbation theory and the pseudopotential method, mechanical and thermophysical properties of thorium carbide. These properties are derived from the lattice dynamics in the quasi-harmonic approximation. The phonon spectrum of ThC presented in this article, to the best authors' knowledge, have not been studied, neither experimentally, nor theoretically. We compare mechanical properties, volume thermal expansion and molar specific capacities with previous results and find a very good agreement. © 2013 Elsevier B.V. All rights reserved.