Observatorio de I+D+i UPM

Descripción
Fe-Cr based alloys are considered as candidate structural materials in the design of next generation reactors. A good knowledge of the behavior under irradiation of these compounds is needed in order to have the best possible safety and longer lifetime in future nuclear plants. Density Functional Theory (DFT) calculations are only available for a few hundreds of atoms and in order to increase time and length scales it is necessary to have appropriate tools to continue the study in larger systems. In this work we perform a comparative study between two empirical interatomic potentials specially developed to study Fe-Cr alloys. The dependence of the calculated formation energy for vacancy, self- and mixed interstitials is investigated for both potentials in pure bcc Fe and pure bcc Cr. These results are compared to DFT values in the literature. Some small Cr clusters in substitutional positions have also been studied in bcc Fe.
Internacional	Si
JCR del ISI	Si
Título de la revista	JOURNAL OF NUCLEAR MATERIALS
ISSN	0022-3115
Factor de impacto JCR	1,501
Información de impacto
Volumen
DOI
Número de revista	0
Desde la página	1
Hasta la página	5
Mes	ENERO
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Esta actividad pertenece a memorias de investigación

• Participante: María José Caturla Terol (Universidad de Alicante)
• Autor: Emma del Rio Redondo (UPM)
• Autor: Jose Manuel Perlado Martin (UPM)
• Autor: Maximo Pedro Victoria . (UPM)

• Creador: Grupo de Investigación: Fusión Nuclear Inercial y Tecnología de fusión
• Centro o Instituto I+D+i: Instituto de Fusión Nuclear
• Departamento: Ingeniería Nuclear