Oxygen in-diffusion into the Cu(1) basal plane of YBa2Cu3Ox was studied using Monte Carlo methods based upon a lattice gas model. The Hamiltonian used in this study included a chemical potential of oxygen gas depending upon both oxygen pressure and temperature, instead of the constant virtual potential commonly used. This permitted the simulation of cooling from high temperatures during which oxygen atoms were incorporated.

Monte Carlo Calculation of Oxygen In-Diffusion into YBa2Cu3Ox. M.Ohkubo, T.Hioki: Physica C, 1991, 185-189[2], 921-2