Packing Hyperspheres in High-Dimensional Euclidean Spaces

We present the first study of disordered jammed hard-sphere packings in four-, five- and six-dimensional Euclidean spaces. Using a collision-driven packing generation algorithm, we obtain the first estimates for the packing fractions of the maximally random jammed (MRJ) states for space dimensions $d=4$, 5 and 6 to be $\phi_{MRJ} \simeq 0.46$, 0.31 and 0.20, respectively. To a good approximation, the MRJ density obeys the scaling form $\phi_{MRJ}= c_1/2^d+(c_2 d)/2^d$, where $c_1=-2.72$ and $c_2=2.56$, which appears to be consistent with high-dimensional asymptotic limit, albeit with different coefficients. Calculations of the pair correlation function $g_{2}(r)$ and structure factor $S(k)$ for these states show that short-range ordering appreciably decreases with increasing dimension, consistent with a recently proposed ``decorrelation principle,'' which, among othe things, states that unconstrained correlations diminish as the dimension increases and vanish entirely in the limit $d \to \infty$. As in three dimensions (where $\phi_{MRJ} \simeq 0.64$), the packings show no signs of crystallization, are isostatic, and have a power-law divergence in $g_{2}(r)$ at contact with power-law exponent $\simeq 0.4$. Across dimensions, the cumulative number of neighbors equals the kissing number of the conjectured densest packing close to where $g_{2}(r)$ has its first minimum. We obtain estimates for the freezing and melting desnities for the equilibrium hard-sphere fluid-solid transition, $\phi_F \simeq 0.32$ and $\phi_M \simeq 0.39$, respectively, for $d=4$, and $\phi_F \simeq 0.19$ and $\phi_M \simeq 0.24$, respectively, for $d=5$.Comment: 28 pages, 9 figures. To appear in Physical Review

Diffusive Transport Enhanced by Thermal Velocity Fluctuations

We study the contribution of advection by thermal velocity fluctuations to the effective diffusion coefficient in a mixture of two indistinguishable fluids. The enhancement of the diffusive transport depends on the system size L and grows as \ln(L/L_0) in quasi two-dimensional systems, while in three dimensions it scales as L_0^{-1}-L^{-1}, where L_0 is a reference length. The predictions of a simple fluctuating hydrodynamics theory are compared to results from particle simulations and a finite-volume solver and excellent agreement is observed. Our results conclusively demonstrate that the nonlinear advective terms need to be retained in the equations of fluctuating hydrodynamics when modeling transport in small-scale finite systems.Comment: To appear in Phys. Rev. Lett., 201

A Thermodynamically-Consistent Non-Ideal Stochastic Hard-Sphere Fluid

A grid-free variant of the Direct Simulation Monte Carlo (DSMC) method is proposed, named the Isotropic DSMC (I-DSMC) method, that is suitable for simulating dense fluid flows at molecular scales. The I-DSMC algorithm eliminates all grid artifacts from the traditional DSMC algorithm; it is Galilean invariant and microscopically isotropic. The stochastic collision rules in I-DSMC are modified to yield a non-ideal structure factor that gives consistent compressibility, as first proposed in [Phys. Rev. Lett. 101:075902 (2008)]. The resulting Stochastic Hard Sphere Dynamics (SHSD) fluid is empirically shown to be thermodynamically identical to a deterministic Hamiltonian system of penetrable spheres interacting with a linear core pair potential, well-described by the hypernetted chain (HNC) approximation. We apply a stochastic Enskog kinetic theory for the SHSD fluid to obtain estimates for the transport coefficients that are in excellent agreement with particle simulations over a wide range of densities and collision rates. The fluctuating hydrodynamic behavior of the SHSD fluid is verified by comparing its dynamic structure factor against theory based on the Landau-Lifshitz Navier-Stokes equations. We also study the Brownian motion of a nano-particle suspended in an SHSD fluid and find a long-time power-law tail in its velocity autocorrelation function consistent with hydrodynamic theory and molecular dynamics calculations.Comment: 30 pages, revision adding some clarifications and a new figure. See also arXiv:0803.035