Density-Temperature-Softness Scaling of the Dynamics of Glass-forming Soft-sphere Liquids

The principle of dynamic equivalence between soft-sphere and hard-sphere fluids [Phys. Rev. E \textbf{68}, 011405 (2003)] is employed to describe the interplay of the effects of varying the density n, the temperature T, and the softness (characterized by a softness parameter {\nu}^{-1}) on the dynamics of glass-forming soft-sphere liquids in terms of simple scaling rules. The main prediction is that the dynamic parameters of these systems, such as the {\alpha}-relaxation time and the long-time self-diffusion coefficient, depend on n, T, and {\nu} only through the reduced density n^\ast \equiv n{\sigma}^{3}_{HS}(T, {\nu}),where the effective hard-sphere diameter {\sigma}_{HS}(T, {\nu}) is determined, for example, by the Andersen-Weeks-Chandler condition for soft-sphere-hard-sphere structural equivalence. A number of scaling properties observed in recent simulations involving glass-forming fluids with repulsive short range interactions are found to be a direct manifestation of this general dynamic equivalence principle. The self-consistent generalized Langevin equation (SCGLE) theory of colloid dynamics is shown to accurately capture these scaling rule

A test of non-equilibrium thermodynamics in glassy systems: the soft-sphere case

The scaling properties of the soft-sphere potential allow the derivation of an exact expression for the pressure of a frozen liquid, i.e., the pressure corresponding to configurations which are local minima in its multidimensional potential energy landscape. The existence of such a relation offers the unique possibility for testing the recently proposed extension of the liquid free energy to glassy out-of-equilibrium conditions and the associated expression for the temperature of the configurational degrees of freedom. We demonstrate that the non-equilibrium free energy provides an exact description of the soft-sphere pressure in glass states

Localization phenomena in models of ion-conducting glass formers

The mass transport in soft-sphere mixtures of small and big particles as well as in the disordered Lorentz gas (LG) model is studied using molecular dynamics (MD) computer simulations. The soft-sphere mixture shows anomalous small-particle diffusion signifying a localization transition separate from the big-particle glass transition. Switching off small-particle excluded volume constraints slows down the small-particle dynamics, as indicated by incoherent intermediate scattering functions. A comparison of logarithmic time derivatives of the mean-squared displacements reveals qualitative similarities between the localization transition in the soft-sphere mixture and its counterpart in the LG. Nevertheless, qualitative differences emphasize the need for further research elucidating the connection between both models.Comment: to appear in Eur. Phys. J. Special Topic

A Study of Activated Processes in Soft Sphere Glass

On the basis of long simulations of a binary mixture of soft spheres just below the glass transition, we make an exploratory study of the activated processes that contribute to the dynamics. We concentrate on statistical measures of the size of the activated processes.Comment: 17 pages, 9 postscript figures with epsf, uses harvmac.te

Theory of the Jamming Transition at Finite Temperature

A theory for the microscopic structure and the vibrational properties of soft sphere glass at finite temperature is presented. With an effective potential, derived here, the phase diagram and vibrational properties are worked out around the Maxwell critical point at zero temperature $T$ and pressure $p$. Variational arguments and effective medium theory identically predict a non-trivial temperature scale $T^*\sim p^{(2-a)/(1-a)}$ with $a \approx 0.17$ such that low-energy vibrational properties are hard-sphere like for $T \gtrsim T^*$, and zero-temperature soft-sphere like otherwise. However, due to crossovers in the equation of state relating $T$, $p$, and the packing fraction $\phi$, these two regimes lead to four regions where scaling behaviors differ when expressed in terms of $T$ and $\phi$. Scaling predictions are presented for the mean-squared displacement, characteristic frequency, shear modulus, and characteristic elastic length in all regions of the phase diagram.Comment: 8 pages + 3 pages S

Soft Sphere Packings at Finite Pressure but Unstable to Shear

When are athermal soft sphere packings jammed ? Any experimentally relevant definition must at the very least require a jammed packing to resist shear. We demonstrate that widely used (numerical) protocols in which particles are compressed together, can and do produce packings which are unstable to shear - and that the probability of generating such packings reaches one near jamming. We introduce a new protocol that, by allowing the system to explore different box shapes as it equilibrates, generates truly jammed packings with strictly positive shear moduli G. For these packings, the scaling of the average of G is consistent with earlier results, while the probability distribution P(G) exhibits novel and rich scalingComment: 5 pages, 6 figures. Resubmitted to Physical Review Letters after a few change

A Discrete Particle Simulation Study of Solids Mixing in a Pressurized Fluidized Bed

A fluidized bed containing polymeric particles is investigated using a state-of-the-art soft-sphere discrete particle model (DPM). The pressure dependency of particle mixing, flow patterns and bubble behaviour are analysed. It is found that with increasing pressure a less distinct bubble-emulsion structure and improved solids mixing can be observed

Vapour-liquid coexistence in many-body dissipative particle dynamics

Many-body dissipative particle dynamics is constructed to exhibit vapour-liquid coexistence, with a sharp interface, and a vapour phase of vanishingly small density. In this form, the model is an unusual example of a soft-sphere liquid with a potential energy built out of local-density dependent one-particle self energies. The application to fluid mechanics problems involving free surfaces is illustrated by simulation of a pendant drop.Comment: 8 pages, 6 figures, revtex