LAUSR

Phase field crystal models have been extensively employed to investigate solidification process of melt, solid-state precipitation, crack propagation, reconstructive phase transitions and thermomechanical process. However, the models suggested in literatures have little consideration on the ordering structures of the simulation system. This paper proposes a universal framework to correlate the ordering structures, i.e. the crystal symmetry mode to a phase field crystal model. Demonstrations are included so as to show how to deal with the coexisting equilibrium density function of a three-dimensional ordering structure. As a validation, the phase field crystal simulation of crack propagation has been implemented based on the constructed symmetry mode. Furthermore, the three-dimensional atomic density functions for the bcc, TET, ORC, HEX and fcc lattice system have also been given.