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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Crystal structure and interaction dependence of the crystal-melt interfacial free energy
Ruslan L Davidchack1, Brian B Laird
1Department of Mathematics, University of Leicester, Leicester LE1 7RH, United Kingdom.
Abstract:
We examine via molecular simulation the dependence of the crystal-melt interfacial free energy gamma on molecular interaction and crystal structure (fcc vs bcc) for systems interacting with inverse-power repulsive potentials, u(r)=epsilon(sigma/r)(n), 6< or =n< or =100. Both the magnitude and anisotropy of gamma are found to increase as the range of the potential increases. Also we find that gamma(bcc)
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