Micromechanical Approach of the High Temperature Oxidation of Zirconium

Determination of the stress distribution at the interface metal-oxide: Numerical and theoretical considerations

In this paper we give a brief presentation of the approaches we have recently developed on the oxidation of metals. Firstly, we present an analytical model based on non-equilibrium thermodynamics to describe the reaction kinetics present during the oxidation of a metal. Secondly, we present the molecular dynamics results obtained with a code specially tailored to study the oxidation and growth of an oxide film of aluminium. Our simulations present an excellent agreement with experimental results.

An Interfacial Thermodynamic Model for the Oxidation Kinetics of a Metal: Epitaxial Stress Effects

Microchemical Model for High Temperature Oxidation of Zirconium

Micromechanical approach of the high temperature oxidation of zirconium: study of the Zr/ZrO2 interfacial epitaxy with Bollmann's method

The method of Bollmann has been used to determine the role of epitaxy in the formation of the mechanical stress field near the metal/oxide interface during the high temperature oxidation of zirconium. The strains due to epitaxy combine with those due to both oxygen diffusion in metal and thermal expansion of the metal/oxide composite in a model based on a micromechanical formalism. The calculated values are compared to experimental results and the applicability of Bollmann's method to this problem is discussed.