Journal Article

FZJ-2015-03759

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Interface kinetics in phase-field models: Isothermal transformations in binary alloys and step dynamics in molecular-beam epitaxy

Boussinot, G. ; Brener, E. (Corresponding Author)FZJ*

2013
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/8757  doi:10.1103/PhysRevE.88.022406

Abstract: 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.

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Contributing Institute(s):

1. Theoretische Nanoelektronik (PGI-2)

Research Program(s):

1. 421 - Frontiers of charge based Electronics (POF2-421) (POF2-421)

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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