Dresden 2014 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 36: Posters: Bio/organic Molecules on Surfaces, Graphene, Solid/liquid interfaces, Metal Substrates, Electronic Structure Theory

O 36.73: Poster

Dienstag, 1. April 2014, 18:30–22:00, P1

Atomistic modeling of solid-liquid interface ordering and its effect on the growth kinetics of metallic alloys. — •Mohammed Guerdane and Britta Nestler — Karlsruhe Institute of Technology (KIT) Institute of Applied Materials - Reliability of Components and Systems (IAM-ZBS)

The structure of solid-liquid interfaces remains an open question in condensed-matter science. Understanding this structure is of particular importance because its crucial influence on various physical phenomena such as freezing, wetting, and capillary osmosis. We illustrate here how local ordering in a metallic melt (NiZr) can transform into a massive in-plane ordering at the surface of a crystal (bcc Zr) when the solute-centered clusters of the melt match the periodic potential of the crystal surface. Linking molecular dynamics simulation to phase-field modeling allows to estimate quantitatively the influence of the surface effect on the growth kinetics. Furthermore, our study suggests a possibilty to give experimental evidence for the existence of the structural units of the melt by capturing them at suitable interfaces.