Capillary wave analysis of rough solid-liquid interfaces in nickel
Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR) 51170 Köln, Germany, EU
Accepted: 12 January 2011
Crystal-liquid interfaces in nickel are investigated by molecular-dynamics computer simulations. Inhomogeneous systems of size Lx×Ly×Lz with Lz = 5Ly are prepared where the crystal fcc phase at different orientations coexists with the liquid phase, separated by planar interfaces in the xy-plane. The lateral dimensions are varied, using two different geometries with Lx = Ly and with Ly ≫ Lx. In the framework of capillary wave theory (CWT), anisotropic interfacial stiffnesses and tensions are determined using different predictions of CWT with respect to the spectrum, finite-size broadening and different geometries. From a parameterization in terms of cubic harmonics up to 8th order, the anisotropic interfacial free energy is obtained.
PACS: 68.08.-p – Liquid-solid interfaces / 64.70.D- – Solid-liquid transitions / 81.30.Fb – Solidification
© EPLA, 2011