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Deffect energetics in FeCr from empirical interatomic potentials
Cita
Rio Redondo, Emma del; Victoria, Máximo Pedro; Perlado Martín, José Manuel; Sampedro, Jesus M. y Caturla Terol, María José (2009). Deffect energetics in FeCr from empirical interatomic potentials. En: "14th International Conference on Fusion Reactor Materials (ICFRM-14)", 07 - 12, 2009, Sapporo (Japon). pp..
Descripción
| Título: | Deffect energetics in FeCr from empirical interatomic potentials |
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| Autor/es: |
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| Tipo de Documento: | Ponencia en Congreso o Jornada (Póster) |
| Título del Evento: | 14th International Conference on Fusion Reactor Materials (ICFRM-14) |
| Fechas del Evento: | 07 - 12, 2009 |
| Lugar del Evento: | Sapporo (Japon) |
| Título del Libro: | 14th International Conference on Fusion Reactor Materials (ICFRM-14) |
| Fecha: | 2009 |
| Materias: | |
| Escuela: | Instituto de Fusión Nuclear (UPM) |
| Departamento: | Aeronaves y Vehículos Espaciales |
| Licencias Creative Commons: | Reconocimiento - Sin obra derivada - No comercial |
Resumen
We present a comparative study between two empirical potentials for the study of FeCr alloys. Vacancy, self- and mixed interstitials formation energies are investigated for both potentials in pure bcc Fe and pure bcc Cr. These results are compared to DFT values reported in literature. Some small Cr clusters in substitutional positions have also been studied in bcc Fe. Finally we have performed some calculations of the vacancy formation energy (Ev) depending on Cr concentration.
Proyectos asociados
| Tipo | Código | Acrónimo | Responsable | Título |
|---|---|---|---|---|
| FP7 | 212175 | GETMAT | Karlsruher Institut fuer Technologie | GEn IV and Transmutation MATerials |
| Gobierno de España | ENE2008-06403-C06-06 | Sin especificar | Sin especificar | Sin especificar |
Más información
| ID de Registro: | 44428 |
|---|---|
| Identificador DC: | http://oa.upm.es/44428/ |
| Identificador OAI: | oai:oa.upm.es:44428 |
| Depositado por: | Memoria Investigacion |
| Depositado el: | 03 Abr 2017 18:02 |
| Ultima Modificación: | 04 Abr 2017 16:45 |
