Phase-field model study of the crystal morphological evolution of hcp metals
Phase-field model study of the crystal morphological evolution of hcp metals
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DOI：
10.1016/j.actamat.2009.04.001
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发表时间：
2009-06
期刊：
影响因子：
9.4
通讯作者：
R. Qin;H. Bhadeshia
中科院分区：
文献类型：
--
作者：
R. Qin;H. Bhadeshia
六方密排金属的各向异性界面能的表达式已制定，这是能够重现使用修改的嵌入原子方法获得的公布的数据，覆盖界面能的变化作为取向的函数为一些金属。与表达式相关的系数可以完全通过测量或计算三个独立晶面的界面能来确定。已经发现使用这种界面能表示的三维相场模型模拟产生令人信服的晶体形态。在相场模拟中，晶体生长的表观速率作为取向的函数与表面能理论的预测一致。
An expression for anisotropic interfacial energy of hexagonal close-packed metals has been formulated which is able to reproduce published data obtained using the modified embedded-atom method, covering the variation in interface energy as a function of orientation for a number of metals. The coefficients associated with the expression can be determined fully by measured or calculated interfacial energies of just three independent crystal planes. Three-dimensional phase-field model simulations using this representation of interfacial energy have been found to yield convincing crystal morphologies. The apparent rate of crystal growth as a function of orientation in the phase-field simulation agrees with predictions made by surface energy theory.