Abstract
In the present work, a modified anisotropic coefficient of interfacial energy is used to simulate the anisotropic facet crystal growth along non-orthogonal directions by phase-field method. The modified anisotropic coefficient of interface anisotropy is simulated and evaluated against the theoretical prediction of equilibrium shape. The simulation results are compared between the modified form and classic form. Subsequently, the modified anisotropic coefficient is employed to simulate the Wulff construction of facet growth of diamond, encompassing both pristine diamond and diamond with reconstructed surfaces. The dynamics of diamond morphology and the reconstructed surface area and proportion are thoroughly evaluated, demonstrating agreement with experimental records. The effect of the reconstruction surface on the growth of diamond grain is analyzed in terms of the total energy reduction, and the range of interfacial energies for more stable diamond reconstructions is also summarized. By introducing the modified anisotropic coefficient, anisotropic facet growth can be described and the simulation results are verified both theoretically and experimentally.
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