A Modified Two-Mode Phase-Field Crystal Model Applied to Face-Centered Cubic and Body-Centered Cubic Orderings
In this work, we present a modified two-mode phase-field crystal (PFC) model for nano-structural evolution of materials. The model is used to study both the face-centered cubic (FCC) and body-centered cubic (BCC) orderings, as well as the solid-liquid coexisting phenomenon. This two-mode PFC model incorporates three parameters in its formulation and damps out the dynamics of the system, except near the first two critical wavelengths. The material properties such as volume expansion and free energy change in melting, crystalline structure, solid density wave amplitudes, and elastic constants can be determined by this PFC model.
E. Asadi and M. Asle Zaeem, "A Modified Two-Mode Phase-Field Crystal Model Applied to Face-Centered Cubic and Body-Centered Cubic Orderings," Computational Materials Science, vol. 105, pp. 110-113, Elsevier, Jul 2015.
The definitive version is available at http://dx.doi.org/10.1016/j.commatsci.2015.04.004
Materials Science and Engineering
Center for High Performance Computing Research
Keywords and Phrases
Free energy; Liquids; Nanostructures, Body-centered cubic; Crystalline structure; Face-centered cubic; Free energy change; Phase field crystal model; Phase-field crystals; Solid-liquid; Structural evolution, Crystal structure
International Standard Serial Number (ISSN)
Article - Journal
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