Ad- and Desorption of Oxygen at Metal-Oxide Interfaces: Numerical Approach for Non-Homogeneous Oxide Distribution
A numerical approach for the segregation of atomic oxygen at Ag/MgO interfaces is presented. A general segregation kinetics is considered and the coupled system of partial differential equations is solved due to a one-dimensional finite difference scheme. Based on a model oxide distribution, the influence of the oxide distribution is numerically investigated and compared with the solution for equidistant arrangements. The numerical approach allows for the consideration of general boundary conditions, specimen sizes and time-dependent material and process parameters. Furthermore, a numerical procedure to convert two-dimensional microstructures into representative one-dimensional distributions is described.
B.S. Bokstein and B.B. Straumal
A. Öchsner et al., "Ad- and Desorption of Oxygen at Metal-Oxide Interfaces: Numerical Approach for Non-Homogeneous Oxide Distribution", Defect and Diffusion Forum, Vol. 249, pp. 35-40, 2006