Interface kinetics in phase-field models: Isothermal transformations in binary alloys and step dynamics in molecular-beam epitaxy

被引:19
作者
Boussinot, G. [1 ,2 ]
Brener, Efim A. [2 ]
机构
[1] Max Planck Inst Eisenforsch GmbH, Computat Mat Design Dept, D-40237 Dusseldorf, Germany
[2] Forschungszentrum Julich, Peter Grunberg Inst, D-52425 Julich, Germany
来源
PHYSICAL REVIEW E | 2013年 / 88卷 / 02期
关键词
GROWTH; MOTION; EQUILIBRIUM;
D O I
10.1103/PhysRevE.88.022406
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
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.
引用
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页数:14
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