Hexagonal convection patterns in atomistically simulated fluids

Molecular dynamics simulation has been used to model pattern formation in three-dimensional Rayleigh--Benard convection at the discrete-particle level. Two examples are considered, one in which an almost perfect array of hexagonally-shaped convection rolls appears, the other a much narrower system that forms a set of linear rolls; both pattern types are familiar from experiment. The nature of the flow within the convection cells and quantitative aspects of the development of the hexagonal planform based on automated polygon subdivision are analyzed. Despite the microscopic scale of the system, relatively large simulations with several million particles and integration timesteps are involved.Comment: 4 pages, 6 figures (color figures have low resolution, high resolution figures available on author's website) Minor changes to text. To appear in PRE (Rapid Comm

Microscale swimming: The molecular dynamics approach

The self-propelled motion of microscopic bodies immersed in a fluid medium is studied using molecular dynamics simulation. The advantage of the atomistic approach is that the detailed level of description allows complete freedom in specifying the swimmer design and its coupling with the surrounding fluid. A series of two-dimensional swimming bodies employing a variety of propulsion mechanisms -- motivated by biological and microrobotic designs -- is investigated, including the use of moving limbs, changing body shapes and fluid jets. The swimming efficiency and the nature of the induced, time-dependent flow fields are found to differ widely among body designs and propulsion mechanisms.Comment: 5 pages, 3 figures (minor changes to text

Stratified horizontal flow in vertically vibrated granular layers

A layer of granular material on a vertically vibrating sawtooth-shaped base exhibits horizontal flow whose speed and direction depend on the parameters specifying the system in a complex manner. Discrete-particle simulations reveal that the induced flow rate varies with height within the granular layer and oppositely directed flows can occur at different levels. The behavior of the overall flow is readily understood once this novel feature is taken into account.Comment: 4 pages, 6 figures, submitte

Thermal collapse of a granular gas under gravity

Free cooling of a gas of inelastically colliding hard spheres represents a central paradigm of kinetic theory of granular gases. At zero gravity the temperature of a freely cooling homogeneous granular gas follows a power law in time. How does gravity, which brings inhomogeneity, affect the cooling? We combine molecular dynamics simulations, a numerical solution of hydrodynamic equations and an analytic theory to show that a granular gas cooling under gravity undergoes thermal collapse: it cools down to zero temperature and condenses on the bottom of the container in a finite time.Comment: 4 pages, 12 eps figures, to appear in PR

Using Available Volume to Predict Fluid Diffusivity in Random Media

We propose a simple equation for predicting self-diffusivity of fluids embedded in random matrices of identical, but dynamically frozen, particles (i.e., quenched-annealed systems). The only nontrivial input is the volume available to mobile particles, which also can be predicted for two common matrix types that reflect equilibrium and non-equilibrium fluid structures. The proposed equation can account for the large differences in mobility exhibited by quenched-annealed systems with indistinguishable static pair correlations, illustrating the key role that available volume plays in transport.Comment: to appear in Physical Review E (12 pages, 4 figures

Memory effects on the statistics of fragmentation

We investigate through extensive molecular dynamics simulations the fragmentation process of two-dimensional Lennard-Jones systems. After thermalization, the fragmentation is initiated by a sudden increment to the radial component of the particles' velocities. We study the effect of temperature of the thermalized system as well as the influence of the impact energy of the ``explosion'' event on the statistics of mass fragments. Our results indicate that the cumulative distribution of fragments follows the scaling ansatz $F(m)\propto m^{-\alpha}\exp{[-(m/m_0)^\gamma]}$, where $m$ is the mass, $m_0$ and $\gamma$ are cutoff parameters, and $\alpha$ is a scaling exponent that is dependent on the temperature. More precisely, we show clear evidence that there is a characteristic scaling exponent $\alpha$ for each macroscopic phase of the thermalized system, i.e., that the non-universal behavior of the fragmentation process is dictated by the state of the system before it breaks down.Comment: 5 pages, 8 figure

Comparing proxy rated quality of life of people living with dementia in care homes

Background: Improving quality of life (QOL) for people with dementia is a priority. In care homes, we often rely on proxy ratings from staff and family but we do not know if, or how, they differ in care homes. Methods: We compared 1056 pairs of staff and family DEMQOL-Proxy ratings from 86 care homes across England. We explored factors associated with ratings quantitatively using multilevel modelling and, qualitatively, through thematic analysis of 12 staff and 12 relative interviews. Results: Staff and family ratings were weakly correlated (ρs = 0.35). Median staff scores were higher than family's (104 v. 101; p < 0.001). Family were more likely than staff to rate resident QOL as ‘Poor’ (χ2 = 55.91, p < 0.001). Staff and family rated QOL higher when residents had fewer neuropsychiatric symptoms and severe dementia. Staff rated QOL higher in homes with lower staff:resident ratios and when staff were native English speakers. Family rated QOL higher when the resident had spent longer living in the care home and was a native English. Spouses rated residents’ QOL higher than other relatives. Qualitative results suggest differences arise because staff felt good care provided high QOL but families compared the present to the past. Family judgements centre on loss and are complicated by decisions about care home placement and their understandings of dementia. Conclusion: Proxy reports differ systematically between staff and family. Reports are influenced by the rater:staff and family may conceptualise QOL differently

Electrostatic traps for dipolar excitons

We consider the design of two-dimensional electrostatic traps for dipolar indirect excitons. We show that the excitons dipole-dipole interaction, combined with the in-plane electric fields that arise due to the trap geometry, constrain the maximal density and lifetime of trapped excitons. We derive an analytic estimate of these values and determine their dependence on the trap geometry, thus suggesting the optimal design for high density trapping as a route for observing excitonic Bose-Einstein condensation.Comment: 5 pages, 3 figures. This 2nd version contains a revised Fig.3 + minor revisions to the discussion and abstrac

Non-equilibrium two-phase coexistence in a confined granular layer

We report the observation of the homogenous nucleation of crystals in a dense layer of steel spheres confined between two horizontal plates vibrated vertically. Above a critical vibration amplitude, two-layer crystals with square symmetry were found to coexist in steady state with a surrounding granular liquid. By analogy to equilibrium hard sphere systems, the phase behavior can be explained through entropy maximization. However, dramatic non-equilibrium effects are present, including a significant difference in the granular temperatures of the two phases.Comment: 4 pages, 3 figures, RevTex4 forma

Pattern Formation in the Inhomogeneous Cooling State of Granular Fluids

We present results from comprehensive event-driven (ED) simulations of nonlinear pattern formation in freely-evolving granular gases. In particular, we focus on the the morphologies of density and velocity fields in the inhomogeneous cooling state (ICS). We emphasize the strong analogy between the ICS morphologies and pattern formation in phase ordering systems with a globally conserved order parameter.Comment: 11 pages, 4 figures. to appear in Europhys. Let