CALCULATION OF THE DIFFUSION CORRELATION FACTOR BY MONTE-CARLO METHODS

The usual Monte Carlo method, which is based on the Einstein equation and employed for calculating tracer correlation factors, is discussed. An alternative Monte Carlo method, which relies on Fick's First Law is described in detail. The method is based on the calculation of the tracer flux under steady-state conditions. Upon application of the new method the results of the vacancy mechanism tracer correlation factor in the square planar, S.C., f.c.c., and b.c.c. lattices were found to be at least as accurate as those obtained by the former simulation method under the same conditions of lattice dimension and total number of vacancy umps. © 1979 Taylor & Francis Group, LLC.