Defect and Diffusion Forum Vols. 297-301

Abstract: A deterministic computational model of high-temperature heterogeneous re- action between metal and oxide melts has been developed. Transport of reagents and products of reaction occur simultaneously both by diusion and by laminar natural con- vection of the melting metal and oxide uxes. The convection-diusion equations have been numerically solved by a nite-dierences time-implicit discretization scheme. The model was implemented by program which had been written in C# language. The com- putations have been performed for desulfurization reaction between liquid steel and slag phases.The computed results agree well with the results which were found by experimen- tal methods.

Abstract: The electrodepostion of bi-valent iron, zinc and tungsten (IV) on tungsten electrodes in equimolar NaCl-KCl melt at 700-750oC was studied by Cyclic Voltammetry and Chronoamperometry. While iron (II) and zinc (II) ions demonstrate regular values of diffusion coefficients, which are all in the range of 10-6-10-5 cm2/sec, tungsten (IV) ions diffuse considerably slower. Plausible process mechanisms were proposed, according to which the tungsten (IV) ions form polynuclear ions and these massive species diffuse at considerably more moderate rates.

Abstract: In general, only one Kirkendall plane can be seen in a diffusion couple. However, bifurcate or trifurcate Kirkendall planes have been reported in Ti/TiAl3 or Co/CoSi2 multi-phase diffusion couples (M-couple) [1,2]. The authors [3] have previously shown a numerical technique to analyze the movement of multiple markers (M-M) embedded in a M-couple taking the molar volume change effect to the diffusion direction into account. Using this technique, one can visualize the places where vacancies (lattice planes) are annihilated or generated in the couple. Here, we try to demonstrate the bifurcate or trifurcate Kirkendall planes in the M-couple and clarify the limited conditions of bifurcate or trifurcate Kirkendall planes by using this numerical technique.

Abstract: The objective of this paper is to present numerical simulations of combustion of an air/methane mixture in porous materials using a model that considers the intra-pore levels of turbulent kinetic energy. Transport equations are written in their time-and-volume-averaged form and a volume-based statistical turbulence model is applied to simulate turbulence generation due to the porous matrix. Four different thermo-mechanical models are compared, namely Laminar, Laminar with Radiation Transport, Turbulent, Turbulent with Radiation Transport. Combustion is modeled via a unique simple closure. Preliminary testing results indicate that a substantially different temperature distribution is obtained depending on the model used. In addition, for high excess air peak gas temperature are reduced.