Regensburg 2010 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 56: Topical Session Growth Kinetics VI

MM 56.4: Talk

Thursday, March 25, 2010, 16:15–16:30, H4

The Interface of a Growing Zr-Ni Crystal — •Philipp Kuhn and Jürgen Horbach — Deutsches Zentrum für Luft- und Raumfahrt, Institut für Materialphysik im Weltraum, Köln

Crystal growth of intermetallic phases in binary metallic alloys proceeds at a considerably slower pace than that of pure metals. As an example the growth in Zr-Ni is two orders of magnitude slower than that for pure Ni [1]. We perform molecular dynamics simulations of pure Ni and Zr-Ni systems to elucidate the mechanism behind this phenomenon. As an interaction model an embedded atom potential is used [2]. We utilize local order parameters to distinguish between solid and liquid particles and combine them in the form of two-dimensional maps [3] as a tool to analyze the structure of the layers in the interface region. This analysis serves as a prerequisite to determine the kinetics of mass transport in the interface region.

[1] H. Yasuda et al., J. Phys. 144, 012056 (2009)

[2] T. Kumagai et al., Mat. Transact. 48 Nr. 6, pp. 1313–1321 (2007)

[3] W. Lechner and C. Dellago, J. Chem. Phys. 129, 114707 (2008)