Boussinot G, Brener Efim A
Computational Materials Design Department, Max-Planck Institut für Eisenforschung, D-40237 Düsseldorf, Germany and Peter Grünberg Institut, Forschungszentrum Jülich, D-52425 Jülich, Germany.
Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Aug;88(2):022406. doi: 10.1103/PhysRevE.88.022406. Epub 2013 Aug 26.
We present a unified description of interface kinetic effects in phase-field models for isothermal transformations in binary alloys and steps dynamics in molecular-beam-epitaxy. The phase-field equations of motion incorporate a kinetic cross-coupling between the phase field and the concentration field. This cross-coupling generalizes the phenomenology of kinetic effects and was omitted until recently in classical phase-field models. We derive general expressions (independent of the details of the phase-field model) for the kinetic coefficients within the corresponding macroscopic approach using a physically motivated reduction procedure. The latter is equivalent to the so-called thin-interface limit but is technically simpler. It involves the calculation of the effective dissipation that can be ascribed to the interface in the phase-field model. We discuss in detail the possibility of a nonpositive definite matrix of kinetic coefficients, i.e., a negative effective interface dissipation, although being in the range of stability of the underlying phase-field model. Numerically we study the step-bunching instability in molecular-beam-epitaxy due to the Ehrlich-Schwoebel effect, present in our model due to the cross-coupling. Using the reduction procedure we compare the results of the phase-field simulations with the analytical predictions of the macroscopic approach.
我们给出了二元合金等温转变相场模型中界面动力学效应以及分子束外延中台阶动力学的统一描述。相场运动方程包含了相场与浓度场之间的动力学交叉耦合。这种交叉耦合推广了动力学效应的唯象学,直到最近在经典相场模型中一直被忽略。我们使用一种基于物理动机的约化过程,在相应的宏观方法中推导出动力学系数的一般表达式(与相场模型的细节无关)。后者等同于所谓的薄界面极限,但在技术上更简单。它涉及计算相场模型中可归因于界面的有效耗散。我们详细讨论了动力学系数矩阵非正定的可能性,即负的有效界面耗散,尽管它处于基础相场模型的稳定范围内。在数值上,我们研究了分子束外延中由于埃利希 - 施沃贝尔效应导致的台阶聚集不稳定性,该效应在我们的模型中因交叉耦合而存在。使用约化过程,我们将相场模拟结果与宏观方法的解析预测进行了比较。