The diagram of phase-field crystal structures: an influence of model parameters in a two-mode approximation
[摘要] Effect of phase-field crystal model (PFC-model) parameters on the structure diagram is analyzed. The PFC-model is taken in a two-mode approximation and the construction of structure diagram follows from the free energy minimization and Maxwell thermodynamic rule. The diagram of structure's coexistence for three dimensional crystal structures [Body-Centered-Cubic (BCC), Face-Centered-Cubic (FCC) and homogeneous structures] are constructed. An influence of the model parameters, including the stability parameters, are discussed. A question about the structure diagram construction using the two-mode PFC-model with the application to real materials is established.
[发布日期] [发布机构] Udmurt State University, Universitetskaya str. 1, Izhevsk; 426034, Russia^1;Friedrich-Schiller-Universität Jena, Physikalisch-Astronomische Fakultät, Jena; D-07743, Germany^2;Ural Federal University, Laboratory of Multi-Scale Mathematical Modeling, Ekaterinburg; 620000, Russia^3
[效力级别] 计算机科学 [学科分类]
[关键词] Face-centered cubic;Free energy minimization;Homogeneous structure;Phase field crystal model;Phase-field crystals;Stability parameters;Three-dimensional crystals;Two-mode approximation [时效性]
