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Characterization of Fe potentials with respect to the stability of the bcc and fcc phase

Acceso Cerrado
ID Minciencias: ART-0000070262-39
Ranking: ART-ART_A2

Abstract:

By calculating free energies, several published interatomic interaction potentials for iron are investigated with respect to the stability of the low-temperature bcc phase and the high-temperature fcc phase. These are empirical many-body potentials for use in atomistic simulation. We find that in all of these potentials—except one—the bcc phase is the stable crystal structure for all temperatures up to the melting point. However, several potentials exhibit a metastable fcc phase in the sense that the fcc structure corresponds to a local minimum of the free energy.

Tópico:

Microstructure and mechanical properties

Citaciones:

Citations: 72
72

Citaciones por año:

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Información de la Fuente:

SCImago Journal & Country Rank
FuenteModelling and Simulation in Materials Science and Engineering
Cuartil año de publicaciónNo disponible
Volumen16
Issue3
Páginas035005 - 035005
pISSNNo disponible
ISSN1361-651X

Enlaces e Identificadores:

Scienti ID0000070262-39Minciencias IDART-0000070262-39Openalex URLhttps://openalex.org/W1979059166
Doi URLhttps://doi.org/10.1088/0965-0393/16/3/035005
Artículo de revista