Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1559932 | Computational Materials Science | 2016 | 12 Pages |
Abstract
The maximum undercooling ÎTm and thermophysical parameters of Ni-Al alloys were calculated using molecular dynamics (MD) simulations with embedded-atom method (EAM). In the simulations, the solid-liquid interfacial energy γSL was determined using the critical nucleus method (CNM), and a new formula was suggested to predict it. It was found that ÎTm correlates with thermophysical parameters. Based on the correlations, a dimensionless parameter Ï, which only depends on the properties of materials, was developed to predict ÎTm. By replacing the γSL in the expression of Ï with the empirical expression found in this work, a new predicting formula of ÎTm without γSL was further proposed. The consistence between the prediction and experimental data indicates that the predicting formula for ÎTm has good reasonability and universality.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Y. Xia, C.H. Li, Y.W. Luan, X.J. Han, J.G. Li,