Monte Carlo Calculation of the Order-Disorder Transformation in the Body-Centered Cubic Lattice

Abstract

The order-disorder transformation in the body-centered cubic structure was investigated by a Monte Carlo method. A critical temperature was observed at the point $(\frac{v}{\mathrm{kT}})=\ensuremath{-}0.315$. The results of the calculation are in close agreement with the best analytical approximations. The calculated variation of order with temperature is in good agreement with experimental data on $\ensuremath{\beta}$ brass and $\ensuremath{\beta}$-AgZn. Some information on the kinetics of the transformation was obtained. It appears likely that the rate-limiting process for diffusion in the ordered structure is jumping of vacancies to second neighbor positions.