Crystal-melt interfacial free energies in metals: fcc versus bcc

D. Y. Sun; M. Asta; J. J. Hoyt; M. I. Mendelev; D. J. Srolovitz

doi:10.1103/PhysRevB.69.020102

Crystal-melt interfacial free energies in metals: fcc versus bcc

D. Y. Sun
, M. Asta
, J. J. Hoyt
, M. I. Mendelev
, D. J. Srolovitz

Northwestern University
CAS - Institute of Solid State Physics
Sandia National Laboratories, New Mexico
Princeton University

科研成果: 期刊稿件 › 文章 › 同行评审

107 引用（Scopus）

摘要

The structural dependence of crystal-melt interfacial free energies (γ) is investigated for fcc and bcc solids through molecular-dynamics calculations employing interatomic potentials for Fe. We compute ≈30-35% lower values of γ for the bcc structure, and find that our results cannot be explained simply in terms of differences in latent heats (L) or densities (ρ) for bulk bcc and fcc phases. We observe a strong structural dependence of the Turnbull coefficient α = γ/Lρ^2/3, and find a trend towards lower crystalline anisotropies of γ for the bcc structure relative to fcc.

源语言	英语
期刊	Physical Review B - Condensed Matter and Materials Physics
卷	69
期	2
DOI	https://doi.org/10.1103/PhysRevB.69.020102
出版状态	已出版 - 23 1月 2004
已对外发布	是

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AU - Sun, D. Y.

AU - Asta, M.

AU - Hoyt, J. J.

AU - Mendelev, M. I.

AU - Srolovitz, D. J.

PY - 2004/1/23

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N2 - The structural dependence of crystal-melt interfacial free energies (γ) is investigated for fcc and bcc solids through molecular-dynamics calculations employing interatomic potentials for Fe. We compute ≈30-35% lower values of γ for the bcc structure, and find that our results cannot be explained simply in terms of differences in latent heats (L) or densities (ρ) for bulk bcc and fcc phases. We observe a strong structural dependence of the Turnbull coefficient α = γ/Lρ2/3, and find a trend towards lower crystalline anisotropies of γ for the bcc structure relative to fcc.

AB - The structural dependence of crystal-melt interfacial free energies (γ) is investigated for fcc and bcc solids through molecular-dynamics calculations employing interatomic potentials for Fe. We compute ≈30-35% lower values of γ for the bcc structure, and find that our results cannot be explained simply in terms of differences in latent heats (L) or densities (ρ) for bulk bcc and fcc phases. We observe a strong structural dependence of the Turnbull coefficient α = γ/Lρ2/3, and find a trend towards lower crystalline anisotropies of γ for the bcc structure relative to fcc.

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JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

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ER -

Crystal-melt interfacial free energies in metals: fcc versus bcc

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