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Register a new userCorrelation between Voronoi volumes in disc packings
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We measure the two-point correlation of free Voronoi volumes in binary disc packings, where the packing fraction $phi_{rm avg}$ ranges from 0.8175 to 0.8380. We observe short-ranged correlations over the whole range of $phi_{rm avg}$ and anti-correlations for $phi_{rm avg}>0.8277$. The spatial extent of the anti-correlation increases with $phi_{rm avg}$ while the position of the maximum of the anti-correlation and the extent of the positive correlation shrink with $phi_{rm avg}$. We conjecture that the onset of anti-correlation corresponds to dilatancy onset in this system.
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Computable Information Density (CID), the ratio of the length of a losslessly compressed data file to that of the uncompressed file, is a measure of order and correlation in both equilibrium and nonequilibrium systems. Here we show that correlation lengths can be obtained by decimation - thinning a configuration by sampling data at increasing intervals and recalculating the CID. When the sampling interval is larger than the systems correlation length, the data becomes incompressible. The correlation length and its critical exponents are thus accessible with no a-priori knowledge of an order parameter or even the nature of the ordering. The correlation length measured in this way agrees well with that computed from the decay of two-point correlation functions $g_{2}(r)$ when they exist. But the CID reveals the correlation length and its scaling even when $g_{2}(r)$ has no structure, as we demonstrate by cloaking the data with a Rudin-Shapiro sequence.
A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical potential, Sastry and Angell [1] demonstrated a first order liquid-liquid transition in supercooled silicon, subsequently supported by experimental and simulation studies. Here, we report evidence for a liquid-liquid critical end point at negative pressures, from computer simulations using the SW potential. Compressibilities exhibit a growing maximum upon lowering temperature below 1500 K and isotherms exhibit density discontinuities below 1120 K, at negative pressure. Below 1120 K, isotherms obtained from constant volume-temperature simulations exhibit non-monotonic, van der Waals-like behavior signaling a first order transition. We identify Tc ~ 1120 +/- 12 K, Pc -0.60 +/- 0.15 GPa as the critical temperature and pressure for the liquid-liquid critical point. The structure of the liquid changes dramatically upon decreasing the temperature and pressure. Diffusivities vary over 4 orders of magnitude, and exhibit anomalous pressure dependence near the critical point. A strong relationship between local geometry quantified by the coordination number, and diffusivity, is seen, suggesting that atomic mobility in both low and high density liquids can usefully be analyzed in terms of defects in the tetrahedral network structure. We have constructed the phase diagram of supercooled silicon. We identify the lines of compressibility, density extrema (maxima and minima) and the spinodal which reveal the interconnection between thermodynamic anomalies and the phase behaviour of the system as suggested in previous works [2-9]
We combine the shear-transformation-zone (STZ) theory of amorphous plasticity with Edwards statistical theory of granular materials to describe shear flow in a disordered system of thermalized hard spheres. The equations of motion for this system are developed within a statistical thermodynamic framework analogous to that which has been used in the analysis of molecular glasses. For hard spheres, the system volume $V$ replaces the internal energy $U$ as a function of entropy $S$ in conventional statistical mechanics. In place of the effective temperature, the compactivity $X = partial V / partial S$ characterizes the internal state of disorder. We derive the STZ equations of motion for a granular material accordingly, and predict the strain rate as a function of the ratio of the shear stress to the pressure for different values of a dimensionless, temperature-like variable near a jamming transition. We use a simplified version of our theory to interpret numerical simulations by Haxton, Schmiedeberg and Liu, and in this way are able to obtain useful insights about internal rate factors and relations between jamming and glass transitions.
Understanding thin sheets, ranging from the macro to the nanoscale, can allow control of mechanical properties such as deformability. Out-of-plane buckling due to in-plane compression can be a key feature in designing new materials. While thin-plate theory can predict critical buckling thresholds for thin frames and nanoribbons at very low temperatures, a unifying framework to describe the effects of thermal fluctuations on buckling at more elevated temperatures presents subtle difficulties. We develop and test a theoretical approach that includes both an in-plane compression and an out-of-plane perturbing field to describe the mechanics of thermalised ribbons above and below the buckling transition. We show that, once the elastic constants are renormalised to take into account the ribbons width (in units of the thermal length scale), we can map the physics onto a mean-field treatment of buckling, provided the length is short compared to a ribbon persistence length. Our theoretical predictions are checked by extensive molecular dynamics simulations of thin thermalised ribbons under axial compression.
We derive a hierarchy of equations which allow a general $n$-body distribution function to be measured by test-particle insertion of between $1$ and $n$ particles, and successfully apply it to measure the pair and three-body distribution functions in a simple fluid. The insertion-based methods overcome the drawbacks of the conventional distance-histogram approach, offering enhanced structural resolution and a more straightforward normalisation. They will be especially useful in characterising the structure of inhomogeneous fluids and investigating closure approximations in liquid state theory.
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