Computational study of protactinium incorporation effects in Th and Th compounds
- Autores
- Perez Daroca, Diego Raul; Llois, Ana Maria; Mosca, Hugo Osvaldo
- Año de publicación
- 2020
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- Protactinium contamination is a mayor issue in the thorium fuel cycle. We investigate, in this work, the consequences of Pa incorporation in vacancy defects and interstitials in Th, ThC and ThN. We calculate charge transfers and lattice distortions due to these incorporations as well as migration paths and energies involved in the diffusion of Pa.
Fil: Perez Daroca, Diego Raul. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
Fil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
Fil: Mosca, Hugo Osvaldo. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Universidad Nacional de San Martín. Instituto Sabato; Argentina - Materia
-
FIRST-PRINCIPLE CALCULATIONS
INCORPORATION ENERGIES
MIGRATION ENERGIES
PROTACTINIUM
TH COMPOUNDS
THORIUM - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/146316
Ver los metadatos del registro completo
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Computational study of protactinium incorporation effects in Th and Th compoundsPerez Daroca, Diego RaulLlois, Ana MariaMosca, Hugo OsvaldoFIRST-PRINCIPLE CALCULATIONSINCORPORATION ENERGIESMIGRATION ENERGIESPROTACTINIUMTH COMPOUNDSTHORIUMhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Protactinium contamination is a mayor issue in the thorium fuel cycle. We investigate, in this work, the consequences of Pa incorporation in vacancy defects and interstitials in Th, ThC and ThN. We calculate charge transfers and lattice distortions due to these incorporations as well as migration paths and energies involved in the diffusion of Pa.Fil: Perez Daroca, Diego Raul. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; ArgentinaFil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; ArgentinaFil: Mosca, Hugo Osvaldo. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Universidad Nacional de San Martín. Instituto Sabato; ArgentinaKorean Nuclear Soc2020-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/146316Perez Daroca, Diego Raul; Llois, Ana Maria; Mosca, Hugo Osvaldo; Computational study of protactinium incorporation effects in Th and Th compounds; Korean Nuclear Soc; Nuclear Engineering And Technology; 52; 10; 10-2020; 2285-22891738-5733CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1738573319306527?via%3Dihubinfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.net.2020.03.017info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:37:00Zoai:ri.conicet.gov.ar:11336/146316instacron: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:34982025-09-29 10:37:00.773CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Computational study of protactinium incorporation effects in Th and Th compounds |
title |
Computational study of protactinium incorporation effects in Th and Th compounds |
spellingShingle |
Computational study of protactinium incorporation effects in Th and Th compounds Perez Daroca, Diego Raul FIRST-PRINCIPLE CALCULATIONS INCORPORATION ENERGIES MIGRATION ENERGIES PROTACTINIUM TH COMPOUNDS THORIUM |
title_short |
Computational study of protactinium incorporation effects in Th and Th compounds |
title_full |
Computational study of protactinium incorporation effects in Th and Th compounds |
title_fullStr |
Computational study of protactinium incorporation effects in Th and Th compounds |
title_full_unstemmed |
Computational study of protactinium incorporation effects in Th and Th compounds |
title_sort |
Computational study of protactinium incorporation effects in Th and Th compounds |
dc.creator.none.fl_str_mv |
Perez Daroca, Diego Raul Llois, Ana Maria Mosca, Hugo Osvaldo |
author |
Perez Daroca, Diego Raul |
author_facet |
Perez Daroca, Diego Raul Llois, Ana Maria Mosca, Hugo Osvaldo |
author_role |
author |
author2 |
Llois, Ana Maria Mosca, Hugo Osvaldo |
author2_role |
author author |
dc.subject.none.fl_str_mv |
FIRST-PRINCIPLE CALCULATIONS INCORPORATION ENERGIES MIGRATION ENERGIES PROTACTINIUM TH COMPOUNDS THORIUM |
topic |
FIRST-PRINCIPLE CALCULATIONS INCORPORATION ENERGIES MIGRATION ENERGIES PROTACTINIUM TH COMPOUNDS THORIUM |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
Protactinium contamination is a mayor issue in the thorium fuel cycle. We investigate, in this work, the consequences of Pa incorporation in vacancy defects and interstitials in Th, ThC and ThN. We calculate charge transfers and lattice distortions due to these incorporations as well as migration paths and energies involved in the diffusion of Pa. Fil: Perez Daroca, Diego Raul. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina Fil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina Fil: Mosca, Hugo Osvaldo. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Universidad Nacional de San Martín. Instituto Sabato; Argentina |
description |
Protactinium contamination is a mayor issue in the thorium fuel cycle. We investigate, in this work, the consequences of Pa incorporation in vacancy defects and interstitials in Th, ThC and ThN. We calculate charge transfers and lattice distortions due to these incorporations as well as migration paths and energies involved in the diffusion of Pa. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-10 |
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/11336/146316 Perez Daroca, Diego Raul; Llois, Ana Maria; Mosca, Hugo Osvaldo; Computational study of protactinium incorporation effects in Th and Th compounds; Korean Nuclear Soc; Nuclear Engineering And Technology; 52; 10; 10-2020; 2285-2289 1738-5733 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/146316 |
identifier_str_mv |
Perez Daroca, Diego Raul; Llois, Ana Maria; Mosca, Hugo Osvaldo; Computational study of protactinium incorporation effects in Th and Th compounds; Korean Nuclear Soc; Nuclear Engineering And Technology; 52; 10; 10-2020; 2285-2289 1738-5733 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1738573319306527?via%3Dihub info:eu-repo/semantics/altIdentifier/doi/10.1016/j.net.2020.03.017 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-nd/2.5/ar/ |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/ |
dc.format.none.fl_str_mv |
application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
Korean Nuclear Soc |
publisher.none.fl_str_mv |
Korean Nuclear Soc |
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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1844614390430564352 |
score |
13.070432 |