Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1601518 | Intermetallics | 2008 | 10 Pages |
Abstract
A computational method to create a noncrystalline structure from a crystalline compound related to metallic glass has been proposed based on the idea that groups of atoms in a compound can be treated as hypothetical clusters. This computational method was applied to the C6Cr23 structure, which was viewed as an ensemble of clusters and remaining atoms in its a unit cell. Allowing the clusters to randomly rotate around their centers of mass caused drastic changes in the atomic arrangements from a crystalline to noncrystalline-like structure in the as-prepared structure. A subsequent relaxation in the molecular dynamics simulation confirmed the noncrystalline character of the atomic arrangements in the relaxed structure.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
A. Takeuchi, K. Yubuta, Y. Yokoyama, A. Makino, A. Inoue,