Molecular dynamics simulations of a 5 nm-thick layer of the ionic liquid 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate, [(OH)C2C1im][BF4], over silica, alumina and boro-silicate glass substrates have been performed. The structure of the ionic liquid at the solid-liquid interface has been interpreted taking into account the corresponding normal density profiles, lateral interfacial st...

We present a calculation of a fourth-order, time-dependent density correlation function that measures higher-order spatiotemporal correlations of the density of a liquid. From molecular dynamics simulations of a glass-forming Lennard-Jones liquid, we find that the characteristic length scale of this function has a maximum as a function of time which increases steadily beyond the characteristic ...

In this paper, a theoretical study is conducted in order to establish the feasibility of a liquid metal acoustic resonator ͑liquid gallium or liquid aluminum͒ for high-amplitude acoustic oscillations. The fundamental resonant frequency typically lies between 5 and 40 kHz. The oscillations are induced by an alternating Lorentz force density applied directly to the liquid metal volume. Depending on...

We investigate the phase behavior of a single-component system in three dimensions with spherically-symmetric, pairwise-additive, soft-core interactions with an attractive well at a long distance, a repulsive soft-core shoulder at an intermediate distance, and a hard-core repulsion at a short distance, similar to potentials used to describe liquid systems such as colloids, protein solutions, or...

We compute the equilibrium phase diagram of two simple models for patchy particles with three and five patches in a very broad range of pressure and temperature. The phase diagram presents low-density crystal structures which compete with the fluid phase. The phase diagram of the five-patch model shows re-entrant melting, in analogy with the previously studied four-patch case, a metastable gas-...

We present experimental measurements of penetration depths for the impact of spheres into wetted granular media. We observe that the penetration depth in the liquid saturated case scales with projectile density, size, and drop height in a fashion consistent with the scaling observed in the dry case, but with smaller penetrations. Neither viscous drag nor density effects can explain the enhancem...

The electrical conductivity and structure of water between 2000-70,000 K and 0.1-3.7 g/cm3 is studied by finite temperature density functional theory (DFT). Proton conduction is investigated quantitatively by analyzing diffusion, the pair-correlation function, and Wannier center locations, while the electronic conduction is calculated in the Kubo-Greenwood formalism. The conductivity formulatio...

The temperature-independent Wang-Landau Monte Carlo approach is implemented for an off-lattice model of flexible homopolymers and applied to the coil-globule and solidification transitions based on chain sizes up to N=300. An intermediate transformation from low-density liquid globule to high-density liquid globule is suggested. A scheme for identifying polymer structures representative of part...