Scaling behavior in the dynamics of a supercooled Lennard-Jones mixture

We present the results of a large scale molecular dynamics computer simulation of a binary, supercooled Lennard-Jones fluid. At low temperatures and intermediate times the time dependence of the intermediate scattering function is well described by a von Schweidler law. The von Schweidler exponent is independent of temperature and depends only weakly on the type of correlator. For long times the correlation functions show a Kohlrausch behavior with an exponent $\beta$ that is independent of temperature. This dynamical behavior is in accordance with the mode-coupling theory of supercooled liquids.Comment: 6 pages, RevTex, three postscript figures available on request, MZ-Physics-10

Nearly-logarithmic decay in the colloidal hard-sphere system

Nearly-logarithmic decay is identified in the data for the mean-squared displacement of the colloidal hard-sphere system at the liquid-glass transition [v. Megen et. al, Phys. Rev. E 58, 6073(1998)]. The solutions of mode-coupling theory for the microscopic equations of motion fit the experimental data well. Based on these equations, the nearly-logarithmic decay is explained as the equivalent of a beta-peak phenomenon, a manifestation of the critical relaxation when the coupling between of the probe variable and the density fluctuations is strong. In an asymptotic expansion, a Cole-Cole formula including corrections is derived from the microscopic equations of motion, which describes the experimental data for three decades in time.Comment: 4 pages, 3 figure

Fluctuation-dissipation relation in a sheared fluid

In a fluid out of equilibrium, the fluctuation dissipation theorem (FDT) is usually violated. Using molecular dynamics simulations, we study in detail the relationship between correlation and response functions in a fluid driven into a stationary non-equilibrium state. Both the high temperature fluid state and the low temperature glassy state are investigated. In the glassy state, the violation of the FDT is quantitatively identical to the one observed previously in an aging system in the absence of external drive. In the fluid state, violations of the FDT appear only when the fluid is driven beyond the linear response regime, and are then similar to those observed in the glassy state. These results are consistent with the picture obtained earlier from theoretical studies of driven mean-field disordered models, confirming the similarity between these models and real glasses.Comment: 4 pages, latex, 3 ps figure

Test of mode coupling theory for a supercooled liquid of diatomic molecules. II. q-dependent orientational correlators

Using molecular dynamics computer simulations we study the dynamics of a molecular liquid by means of a general class of time-dependent correlators S_{ll'}^m(q,t) which explicitly involve translational (TDOF) and orientational degrees of freedom (ODOF). The system is composed of rigid, linear molecules with Lennard- Jones interactions. The q-dependence of the static correlators S_{ll'}^m(q) strongly depend on l, l' and m. The time dependent correlators are calculated for l=l'. A thorough test of the predictions of mode coupling theory (MCT) is performed for S_{ll}^m(q,t) and its self part S_{ll}^{(s)m}(q,t), for l=1,..,6. We find a clear signature for the existence of a single temperature T_c, at which the dynamics changes significantly. The first scaling law of MCT, which involves the critical correlator G(t), holds for l>=2, but no critical law is observed. Since this is true for the same exponent parameter lambda as obtained for the TDOF, we obtain a consistent description of both, the TDOF and ODOF, with the exception of l=1. This different behavior for l \ne 1 and l=1 can also be seen from the corresponding susceptibilities (chi'')_{ll}^m(q,omega) which exhibit a minimum at about the same frequency omega_{min} for all q and all l \ne 1, in contrast to (chi'')_{11}^m(q,omega) for which omega'_{min} approx 10 omega_{min} . The asymptotic regime, for which the first scaling law holds, shrinks with increasing l. The second scaling law of MCT (time-temperature superposition principle) is reasonably fulfilled for l \ne 1 but not for l=1. Furthermore we show that the q- and (l,m)-dependence of the self part approximately factorizes, i.e. S_{ll}^{(s)m}(q,t) \cong C_l^{(s)}(t) F_s(q,t) for all m.Comment: 11 pages of RevTex, 16 figure

The relaxation dynamics of a simple glass former confined in a pore

We use molecular dynamics computer simulations to investigate the relaxation dynamics of a binary Lennard-Jones liquid confined in a narrow pore. We find that the average dynamics is strongly influenced by the confinement in that time correlation functions are much more stretched than in the bulk. By investigating the dynamics of the particles as a function of their distance from the wall, we can show that this stretching is due to a strong dependence of the relaxation time on this distance, i.e. that the dynamics is spatially very heterogeneous. In particular we find that the typical relaxation time of the particles close to the wall is orders of magnitude larger than the one of particles in the center of the pore.Comment: 9 pages of Latex, 4 figure

A quantitative test of the mode-coupling theory of the ideal glass transition for a binary Lennard-Jones system

Using a molecular dynamics computer simulation we determine the temperature dependence of the partial structure factors for a binary Lennard-Jones system. These structure factors are used as input data to solve numerically the wave-vector dependent mode-coupling equations in the long time limit. Using the so determined solutions, we compare the predictions of mode-coupling theory (MCT) with the results of a previously done molecular dynamics computer simulation [Phys. Rev. E 51, 4626 (1995), ibid. 52, 4134 (1995)]. From this comparison we conclude that MCT gives a fair estimate of the critical coupling constant, a good estimate of the exponent parameter, predicts the wave-vector dependence of the various nonergodicity parameters very well, except for very large wave-vectors, and gives also a very good description of the space dependence of the various critical amplitudes. In an attempt to correct for some of the remaining discrepancies between the theory and the results of the simulation, we investigate two small (ad hoc) modifications of the theory. We find that one modification gives a worse agreement between theory and simulation, whereas the second one leads to an improved agreement.Comment: Figures available from W. Ko

Stress and large-scale spatial structures in dense, driven granular flows

We study the appearance of large-scale dynamical heterogeneities in a simplified model of a driven, dissipative granular system. Simulations of steady-state gravity-driven flows of inelastically colliding hard disks show the formation of large-scale linear structures of particles with a high collision frequency. These chains can be shown to carry much of the collisional stress in the system due to a dynamical correlation that develops between the momentum transfer and time between collisions in these "frequently-colliding" particles. The lifetime of these dynamical stress heterogeneities is seen to grow as the flow velocity decreases towards jamming, leading to slowly decaying stress correlations reminiscent of the slow dynamics observed in supercooled liquids.Comment: 8 pages, 6 figure

Slow dynamics of a confined supercooled binary mixture II: Q space analysis

We report the analysis in the wavevector space of the density correlator of a Lennard Jones binary mixture confined in a disordered matrix of soft spheres upon supercooling. In spite of the strong confining medium the behavior of the mixture is consistent with the Mode Coupling Theory predictions for bulk supercooled liquids. The relaxation times extracted from the fit of the density correlator to the stretched exponential function follow a unique power law behavior as a function of wavevector and temperature. The von Schweidler scaling properties are valid for an extended wavevector range around the peak of the structure factor. The parameters extracted in the present work are compared with the bulk values obtained in literature.Comment: 8 pages with 8 figures. RevTeX. Accepted for publication in Phys. Rev.

Scaling behavior in the β\beta-relaxation regime of a supercooled Lennard-Jones mixture

We report the results of a molecular dynamics simulation of a supercooled binary Lennard-Jones mixture. By plotting the self intermediate scattering functions vs. rescaled time, we find a master curve in the $\beta$-relaxation regime. This master curve can be fitted well by a power-law for almost three decades in rescaled time and the scaling time, or relaxation time, has a power-law dependence on temperature. Thus the predictions of mode-coupling-theory on the existence of a von Schweidler law are found to hold for this system; moreover, the exponents in these two power-laws are very close to satisfying the exponent relationship predicted by the mode-coupling-theory. At low temperatures, the diffusion constants also show a power-law behavior with the same critical temperature. However, the exponent for diffusion differs from that of the relaxation time, a result that is in disagreement with the theory.Comment: 8 pages, RevTex, four postscript figures available on request, MZ-Physics-10

Rheology and dynamical heterogeneity in frictionless beads at jamming density

We investigate the rheological properties of an assembly of inelastic (but frictionless) particles close to the jamming density using numerical simulation, in which uniform steady states with a constant shear rate $\dot\gamma$ is realized. The system behaves as a power-law fluid and the relevant exponents are estimated; e.g., the shear stress is proportional to $\dot\gamma^{1/\delta_S}$, where $1/\delta_S=0.64(2)$. It is also found that the relaxation time $\tau$ and the correlation length $\xi$ of the velocity increase obeying power laws: $\tau\sim\dot\gamma^{-\beta}$ and $\xi\sim\dot\gamma^{-\alpha}$, where $\beta=0.27(3)$ and $\alpha=0.23(3)$