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