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Journal article

Quantitative Parameter-Free Prediction of Simulated Crystal-Nucleation Times

Abstract

We present direct comparisons between simulated crystal-nucleation times and theoretical predictions using a model of aluminum, and demonstrate that a quantitative prediction can be made. All relevant thermodynamic properties of the system are known, making the agreement of our simulation data with nucleation theories free of any adjustable parameters. The role of transient nucleation is included in the classical nucleation theory approach, and …

Authors

Aga RS; Morris JR; Hoyt JJ; Mendelev M

Journal

Physical Review Letters, Vol. 96, No. 24,

Publisher

American Physical Society (APS)

Publication Date

June 23, 2006

DOI

10.1103/physrevlett.96.245701

ISSN

0031-9007