Descripción
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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. | |
Internacional
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Nombre congreso
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14th International Conference on Fusion Reactor Materials (ICFRM-14) |
Tipo de participación
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960 |
Lugar del congreso
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Sapporo (Japon) |
Revisores
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Si |
ISBN o ISSN
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DOI
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Fecha inicio congreso
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07/09/2009 |
Fecha fin congreso
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12/09/2009 |
Desde la página
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0 |
Hasta la página
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0 |
Título de las actas
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Deffect energetics in FeCr from empirical interatomic potentials |