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Article
Revisiting Phase Diagrams of Two-Mode Phase-Field Crystal Models
Computational Materials Science
  • Arezoo Emdadi, Missouri University of Science and Technology
  • Mohsen Asle Zaeem, Missouri University of Science and Technology
  • Ebrahim Asadi
Abstract

In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this study the modified two-mode PFC model (presented by Asadi and Asle Zaeem, 2015) was used, in which the free energy can be exactly minimized in each stable crystal structure allowing calculation of accurate phase diagrams for two-mode PFC models. Different crystal structures, such as square, triangle, body-centered cubic (bcc), face-centered cubic (fcc), and stripe lattice structures as well as their coexistence regions were considered in the calculations. The model parameters were discussed to calculate phase diagrams that can be used as a guideline by other researchers for studying solidification and solid state phase transformation using two-mode PFC model.

Department(s)
Materials Science and Engineering
Research Center/Lab(s)
Center for High Performance Computing Research
Keywords and Phrases
  • Free energy,
  • Graphic methods,
  • Phase diagrams,
  • Body-centered cubic,
  • Crystallographic structure,
  • Free energy minimization,
  • Phase field crystal model,
  • Phase-field crystals,
  • Solid state phase transformation,
  • Three Dimensional (3-d),
  • Two Dimensional (2 D),
  • Crystal structure,
  • Two-mode phase-field crystal
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2016 Elsevier, All rights reserved.
Publication Date
10-1-2016
Publication Date
01 Oct 2016
Citation Information
Arezoo Emdadi, Mohsen Asle Zaeem and Ebrahim Asadi. "Revisiting Phase Diagrams of Two-Mode Phase-Field Crystal Models" Computational Materials Science Vol. 123 (2016) p. 139 - 147 ISSN: 0927-0256
Available at: http://works.bepress.com/arezoo-emdadi/1/