Dresden 2009 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 23: Topical Session Heterogeneous Nucleation and Initial Evolution of Microstructure - Poster
MM 23.11: Poster
Dienstag, 24. März 2009, 14:45–16:30, P4
Phase field modeling vs. molecular dynamics simulations: Crystal growth kinetics of Ni — •Roberto Rozas Cardenas1, Denis Danilov2, Britta Nestler2, and Jürgen Horbach1 — 1Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln — 2Institute of Computational Engineering (ICE), Karlsruhe University of Applied Sciences, Moltkestrasse 30, 76133 Karlsruhe
Growth of crystal seeds in the undercooled melt of pure Nickel is simulated by means of molecular dynamics simulations and phase-field modeling. In order to establish a direct comparison between the two methods the lower length-scale limit of the phase field modeling is extended up to the scale of typical molecular simulations, i.e. about 100 Å. The input variables of the phase field modeling such as interface tension and transport properties, and initial configurations, are obtained from molecular dynamics simulations. We present results for the growth velocities of crystal seeds of Ni at different undercoolings. The validity of the assumptions of the phase modeling at nanoscopic scale is discussed.