The phase field crystal (PFC) method has emerged as a promising technique formodeling materials with atomistic resolution on mesoscopic time scales. Theapproach is numerically much more efficient than classical density functionaltheory (CDFT), but its single mode free energy functional only leads tolattices with triangular (2D) or BCC (3D) symmetries. By returning to a closerapproximation of the CDFT free energy functional, we develop a systematicconstruction of two-particle direct correlation functions that allow the studyof a broad class of crystalline structures. This construction examines planarspacings, lattice symmetries, planar atomic densities and the atomicvibrational amplitude in the unit cell of the lattice and also provides controlparameters for temperature and anisotropic surface energies. The power of thisnew approach is demonstrated by two examples of structural phasetransformations.
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