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Boundary conditions for the solid-liquid interface of the solidifying pure melt have been derived. In the derivation the model of Gibbs interface is used. The boundary conditions include both the state quantities of bulk phases are taken at the interface and the quantities characterizing interfacial surface such as the surface temperature and the surface heat flux. Introduction of the surface temperature as an independent variable allows us to describe the scattering energy at the interface. For the steady-state motion of the planar interface the expression for the temperature discontinuity across the phase boundary has been obtained. Effect of Kapitza resistance on the interface velocity is considered. It is shown that heat resistance leads to non-linearity in solidification kinetics, namely, in velocity-undercooling relationship. The conditions of the steady--state motion of the planar interface has been found.
We present a new technique which allows the fully {em ab initio} calculation of the chemical potential of a substitutional impurity in a high-temperature crystal, including harmonic and anharmonic lattice vibrations. The technique uses the combinatio
We present analytical results and kinetic Monte Carlo simulations for the mobility and microscopic structure of solid-on-solid (SOS) interfaces driven far from equilibrium by an external force, such as an applied field or (electro)chemical potential
A general set of methods is presented for calculating chemical potentials in solid and liquid mixtures using {em ab initio} techniques based on density functional theory (DFT). The methods are designed to give an {em ab initio} approach to treating c
The process of rapid solidification of a binary mixture is considered in the framework of local nonequilibrium model (LNM) based on the assumption that there is no local equilibrium in solute diffusion in the bulk liquid and at the solid-liquid inter
Interfacial charge transfer is widely assumed to obey Butler-Volmer kinetics. For certain liquid-solid interfaces, Marcus-Hush-Chidsey theory is more accurate and predictive, but it has not been applied to porous electrodes. Here we report a simple m