W. Kob et Hc. Andersen, RELAXATION DYNAMICS IN A LATTICE-GAS - A TEST OF THE MODE-COUPLING THEORY OF THE IDEAL GLASS-TRANSITION, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 47(5), 1993, pp. 3281-3302
By means of computer simulations we investigate the dynamical behavior
of a binary lattice-gas mixture with short-range interactions in orde
r to provide a stringent test of mode-coupling theory (MCT). The dynam
ics of the particles is given by Monte Carlo-like moves that change th
e positions of the particles and binary collisions that change the vel
ocities. By monitoring the self part of the van Hove correlation funct
ion we find the low-temperature dynamics to be glasslike. In accordanc
e with MCT, the imaginary part of the dynamic susceptibility chi'' sho
ws a well-defined alpha peak whose high-frequency wing follows a von S
chweidler law with an exponent that is independent of temperature. The
low-frequency wing of the peak follows a different power-law dependen
ce that corresponds to a power law of the form -P + A/tdelta (A, P, de
lta > 0) in the self part of the intermediate scattering function F(s1
)(k, t). In agreement with MCT we find that the diffusion constant for
one of the two types of particles, the relaxation-times of F(s1)(k,t)
, the location of the alpha peak in the susceptibility, and the prefac
tor of the von Schweidler law all have a power-law dependence on tempe
rature, (T - T(c))gamma, for T > T(c) at constant density. As predicte
d by the theory, the critical temperatures T(c) for the different quan
tities are the same within the statistical error. However, in contradi
ction to MCT, the critical exponents gamma vary from one quantity to a
nother. The value of the Lamb-Mossbauer factor shows qualitatively the
wave-vector dependence predicted by MCT. The self part of a second ki
nd of correlation function exhibits the two power laws predicted by MC
T for the high- and low-frequency wings of the beta relaxation. We sho
w that, in the vicinity of the minimum in chi'', the scaling behavior
predicted by MCT holds. However, the location of this minimum at a giv
en temperature depends on the quantity investigated, contrary to the p
redictions of MCT. Moreover, the value of chi'' at this minimum exhibi
ts a power-law dependence on temperature with an exponent that is sign
ificantly larger than the one predicted by MCT. We also find that the
height of the alpha peak as well as the total energy per particle have
a power-law dependence on temperature and that the corresponding crit
ical temperatures are close to those obtained for the other quantities
.