Phonon spectrum, mechanical and thermophysical properties of thorium carbide

Autores
Perez Daroca, Diego Raul; Jaroszewicz, Sebastian; Llois, Ana Maria; Mosca, Hugo Osvaldo
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
Fil: Perez Daroca, Diego Raul. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Jaroszewicz, Sebastian. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional de San Martín. Instituto Sabato; Argentina
Fil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Mosca, Hugo Osvaldo. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional de San Martín. Instituto Sabato; Argentina
Materia
Thorium-Carbide
Nuclear-Fuel
Thermophysical
Phonon
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/77797
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/77797
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Phonon spectrum, mechanical and thermophysical properties of thorium carbidePerez Daroca, Diego RaulJaroszewicz, SebastianLlois, Ana MariaMosca, Hugo OsvaldoThorium-CarbideNuclear-FuelThermophysicalPhononhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In 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.Fil: Perez Daroca, Diego Raul. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; ArgentinaFil: Jaroszewicz, Sebastian. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional de San Martín. Instituto Sabato; ArgentinaFil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; ArgentinaFil: Mosca, Hugo Osvaldo. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional de San Martín. Instituto Sabato; ArgentinaElsevier Science2013-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/77797Perez 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; 135-1380022-3115CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.jnucmat.2013.01.350info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022311513003942info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:20:03Zoai:ri.conicet.gov.ar:11336/77797instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 11:20:03.883CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Phonon spectrum, mechanical and thermophysical properties of thorium carbide
title Phonon spectrum, mechanical and thermophysical properties of thorium carbide
spellingShingle Phonon spectrum, mechanical and thermophysical properties of thorium carbide
Perez Daroca, Diego Raul
Thorium-Carbide
Nuclear-Fuel
Thermophysical
Phonon
title_short Phonon spectrum, mechanical and thermophysical properties of thorium carbide
title_full Phonon spectrum, mechanical and thermophysical properties of thorium carbide
title_fullStr Phonon spectrum, mechanical and thermophysical properties of thorium carbide
title_full_unstemmed Phonon spectrum, mechanical and thermophysical properties of thorium carbide
title_sort Phonon spectrum, mechanical and thermophysical properties of thorium carbide
dc.creator.none.fl_str_mv Perez Daroca, Diego Raul
Jaroszewicz, Sebastian
Llois, Ana Maria
Mosca, Hugo Osvaldo
author Perez Daroca, Diego Raul
author_facet Perez Daroca, Diego Raul
Jaroszewicz, Sebastian
Llois, Ana Maria
Mosca, Hugo Osvaldo
author_role author
author2 Jaroszewicz, Sebastian
Llois, Ana Maria
Mosca, Hugo Osvaldo
author2_role author
author
author
dc.subject.none.fl_str_mv Thorium-Carbide
Nuclear-Fuel
Thermophysical
Phonon
topic Thorium-Carbide
Nuclear-Fuel
Thermophysical
Phonon
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv 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.
Fil: Perez Daroca, Diego Raul. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Jaroszewicz, Sebastian. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional de San Martín. Instituto Sabato; Argentina
Fil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Mosca, Hugo Osvaldo. Comisión Nacional de Energía Atómica; Argentina. Universidad Nacional de San Martín. Instituto Sabato; Argentina
description 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.
publishDate 2013
dc.date.none.fl_str_mv 2013-01
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/77797
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
url http://hdl.handle.net/11336/77797
identifier_str_mv 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
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jnucmat.2013.01.350
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022311513003942
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.982451

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