2016/03/31 by Arezoo Emdadi, Mohsen Asle Zaeem, Ebrahim Asadi
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Aluminum Alloy Microstructure Properties #Chemistry #Computer science #Condensed matter physics #Crystal (programming language) #Crystal structure #Crystallography #Cubic crystal system #Energy minimization #Lattice (music) #Materials science #Metallurgy and Material Forming #Mode (computer interface) #Phase (matter) #Phase diagram #Physics #Quantum mechanics #Solidification and crystal growth phenomena #Statistical physics #Transformation (genetics) #cond-mat.mtrl-sci
paper · pdf · doi:10.1016/j.commatsci.2016.06.018
arxiv created 2016/05/17 · openalex publication_date 2016/07/04 · arxiv updated 2017/06/06 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
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 E. Asadi and M. Asle Zaeem, Comput. Mater. Sci. 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.