Z. Qin et Ar. Allnatt, ACCURATE AND APPROXIMATE RESULTS FOR THE TIME-CORRELATION FUNCTION AND MEMORY FUNCTION-ASSOCIATED WITH TRACER DIFFUSION IN A PURE CRYSTAL, Philosophical magazine. A. Physics of condensed matter. Defects and mechanical properties, 70(4), 1994, pp. 677-688
The time correlation function associated with the tracer diffusion coe
fficient for the vacancy mechanism in a pure simple cubic substance ha
s been calculated accurately from an integral equation in time derived
from the kinetic equation for tracer migration. Results for different
tracer to host jump frequency ratios are compared with approximate so
lutions valid at short and long times. The memory function of the time
correlation function has been calculated. Simple approximations to th
e memory function and the time correlation function generated from the
Mori continued fraction representation of the memory function are tes
ted. The Fourier transform of die time correlation function, which is
proportional to the frequency dependent part of the frequency dependen
t diffusion coefficient, is also described.