Pressure-Controlled Dynamic Equation for the Phase-Field Crystal Method

9th International Conference on Mechatronics and Manufacturing

机械制造;无线电电子学

Em-Udom, J.^1 ; Pisutha-Arnond, N.^1

Department of Industrial Engineering, Faculty of Engineering, King Mongkut's Institute of Technology, Ladkrabang, Bangkok

10520, Thailand^1

关键词: Atomic resolution;    Compressive deformations;    Controlled dynamics;    Density-functional type;    Multicomponents;    Non equilibrium thermodynamics;    Non-hydrostatic;    Phase-field crystals;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/361/1/012006/pdf
DOI  :  10.1088/1757-899X/361/1/012006

来源: IOP

【 摘 要 】

The phase-field crystal (PFC) method is a density-functional-type materials model with atomic resolution on diffusive timescale, and has been shown to be a robust tool for modeling materials phenomena. In this study, a pressure-controlled dynamic equation for the PFC model was developed to describe a system under externally applied hydrostatic pressure. The formulation is based on the established frameworks including the thermodynamics of solids, kinematics of deformation, and non-equilibrium thermodynamics. The proposed equation exhibits the tensile and compressive deformation rates that are different from those from the recently-proposed pressure-controlled dynamic equation. The derivation in this work also provides a framework that can be readily extended to describe a more complex system such as multi-component solid under non-hydrostatic stress.