The phase-field crystal (PFC) method has emerged as a promising technique to simulate the evolution of crystalline patterns with atomistic resolution on mesoscopic time scales. We use a 2D PFC model based on Elder et al. [Phy. Rev. B 75, 064107 (2007)] to perform a systematic analysis of a liquid-solid interface for a binary alloy system. We propose the method of determining interfacial energies for a curved liquid-solid interface by stabilizing the circular solid seed in the surrounding liquid phase and the liquid droplet in the solid phase for various seed sizes in a finite system. We also investigate the impact of model parameters on the resulting interface energies. The interface energies are computed with various system sizes in order to study the system size effects. In particular, we compare the simulation results in the form of the interface energy as a function of radius with the existing theories.
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机译:相场晶体(PFC)方法已成为一种有希望的技术,用于模拟在介于镜像时间尺度上具有原子分辨率的晶体图案的演变。我们使用基于Elder等人的2D PFC模型。 [PHY。 Rev. B 75,064107(2007)]为了对二元合金系统进行液固界面进行系统分析。我们提出通过在有限系统中稳定周围液相中的圆形固相和液滴中的圆形固体种子来确定曲线固体界面的界面能量的方法。我们还研究了模型参数对所产生的界面能量的影响。界面能量使用各种系统尺寸计算,以研究系统尺寸效果。特别地,我们将仿真结果与界面能量的形式进行比较,作为具有现有理论的半径的函数。
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