相关论文: Configurational entropy of hard spheres
By using the Jacobi metric of the configuration space, and assuming ergodicity, we calculate the Boltzmann entropy $S$ of a finite-dimensional system around a non-degenerate critical point of its potential energy $V$. We compare $S$ with…
We consider the relative configurational entropy per cell S_Delta as a measure of the degree of spatial disorder for systems of finite-sized objects. It is highly sensitive to deviations from the most spatially ordered reference…
Given a categorical dynamical system, i.e. a triangulated category together with an endofunctor, one can try to understand the complexity of the system by computing the entropy of the endofunctor. Computing the entropy of the composition of…
We study jammed configurations of hard spheres as a function of compression speed using an event-driven molecular dynamics algorithm. We find that during the compression, the pressure follows closely the metastable liquid branch until the…
The coefficient of the logarithmic term in the entropy on even spheres is re-computed by the local technique of integrating the finite temperature energy density up to the horizon on static d--dimensional de Sitter space and thence finding…
The Adam-Gibbs relation between relaxation times and the configurational entropy has been tested extensively for glass formers using experimental data and computer simulation results. Although the form of the relation contains no dependence…
Classical particle systems characterized by continuous size polydispersity, such as colloidal materials, are not straightforwardly described using statistical mechanics, since fundamental issues may arise from particle distinguishability.…
The repulsive term of Van der Waals equation of state has been deduced and improved in this work using a probabilistic description of the configurational entropy. The aim is to find out whether its physical basis is suitable for the study…
In a recent paper (cond-mat/0506445) we derived an expression for the replicated free energy of a liquid of hard spheres based on the HNC free energy functional. An approximate equation of state for the glass and an estimate of the random…
In a previous work, a simple approach to derive the jamming packing fraction of a hard-sphere mixture from the knowledge of the random close-packing fraction of the monocomponent system was proposed. Now, an extension of that approach is…
We propose and use a novel, hybrid Monte Carlo algorithm that combines configurational bias particle swaps with parallel tempering. We use this new method to simulate a standard model of a glass forming binary mixture above and below the…
Configurational entropy is an important factor in the free energy change of many macromolecular recognition and binding processes, and has been intensively studied. Despite great progresses that have been made, the global sampling remains…
We use hard-sphere generalized hydrodynamic equations to discuss the extended hydrodynamic modes of a binary mixture. The theory presented here is analytic and it provides us with a simple description of the collective excitations of a…
In this talk we discuss the possibility of constructing a fluctuation theory for structural glasses in the non-equilibrium aging state. After reviewing well known results in a toy model we discuss some of the key assumptions which support…
A popular Adam--Gibbs scenario has suggested that the excess entropy of glass and liquid over crystal dominates the dynamical arrest at the glass transition with exclusive contribution from configurational entropy over vibrational entropy.…
The Adam-Gibbs view of the glass transition relates the relaxation time to the configurational entropy, which goes continuously to zero at the so-called Kauzmann temperature. We examine this scenario in the context of a dimer model with an…
The Ornstein-Zernike integral equation method has been employed for a single-component hard sphere fluid in terms of the Percus-Yevick (PY) and Martynov-Sarkisov (MS) approximations. Virial equation of state has been computed in both…
We examine the structural and dynamic properties of confined binary hard-sphere mixtures designed to mimic realizable colloidal thin films. Using computer simulations, governed by either Newtonian or overdamped Langevin dynamics, together…
We explore the nature of glass-formation in variable spatial dimensionality ($d$) based on the generalized entropy theory, a synthesis of the Adam-Gibbs model with direct computation of the configurational entropy of polymer fluids using an…
A kinetic equation for a dilute gas of hard spheres confined between two parallel plates separated a distance smaller than two particle dimeters is derived. It is a Boltzmann-like equation, which incorporates the effect of the confinement…