Phonon spectrum, mechanical and thermophysical properties of thorium carbide
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...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2013 |
| País: | Argentina |
| Institución: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repositorio: | CONICET Digital (CONICET) |
| Idioma: | inglés |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/77797 |
| Acceso en línea: | http://hdl.handle.net/11336/77797 |
| Access Level: | acceso abierto |
| Palabra clave: | Thorium-Carbide Nuclear-Fuel Thermophysical Phonon https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
| Sumario: | 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. |
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