Related papers: Modified Associate Formalism without Entropy Parad…
The accurate determination of transport coefficients in numerical simulations is becoming increasingly important in a wide range of applications. Here we consider the linear response in systems driven away from thermal equilibrium into a…
The first-order phase transitions and related thermodynamics properties are primary concerns of materials sciences and engineering. In traditional atomistic simulations, the phase transitions and the estimation of their thermodynamic…
We consider lattice gas automata where the lack of semi-detailed balance results from node occupation redistribution ruled by distant configurations; such models with nonlocal interactions are interesting because they exhibit non-ideal gas…
We explore several potential issues that have been raised over the years regarding the "entropic droplet" scenario of activated transport in liquids, due to Wolynes and coworkers, with the aim of clarifying the status of various…
Building on the recently derived inhomogeneous mode-coupling theory, we extend the generalised mode-coupling theory of supercooled liquids to inhomogeneous environments. This provides a first-principles-based, systematic and rigorous way of…
A two-dimensional lattice gas model is proposed. The ground state of this model with a fixed density is neither periodic nor quasi-periodic. It also depends on system size in an irregular manner. On the other hand, it is ordered in the…
The formulas for the entropy of ideal gases mixture and the entropy change in mixing of ideal gases on the basis of the third law of thermodynamics were obtained. It is shown that when using these formulas, the Gibbs paradox within the…
Non-equilibrium and equilibrium thermodynamics of an interacting component in a special-relativistic multi-component system is discussed by use of an entropy identity. The special case of the corresponding free component is considered.…
We calculate the hybrid entanglement entropy between coin and walker degrees of freedom in a non-unitary quantum walk. The model possesses a joint parity and time-reversal symmetry or PT-symmetry and supports topological phases when this…
An alternative way of utilizing the thermodynamic perturbation theory of Wertheim for the development of equations of state for associating fluid models is presented and detailed for water. The approach makes use of general features of the…
This is an analysis of the additivity of the entropy of thermodynamical systems with finite heat baths. It is presented an expression for the physical entropy of weakly interacting ergodic systems, and it is shown that it is valid for both…
This series of papers is devoted to the formulation and the approximation of coupling problems for nonlinear hyperbolic equations. The coupling across an interface in the physical space is formulated in term of an augmented system of…
Recent studies of the hydration of micro- and nanoscale solutes have demonstrated a strong {\it coupling} between hydrophobic, dispersion and electrostatic contributions, a fact not accounted for in current implicit solvent models. We…
Integral equation theory calculations within the mean spherical approximation (MSA) and grand canonical Monte Carlo (MC) simulations are employed to study the phase behaviour of a symmetrical binary fluid mixture in the presence of a field…
Development of thermodynamic induction up to second order gives a dynamical bifurcation for thermodynamic variables and allows for the prediction and detailed explanation of nonequilibrium phase transitions with associated spontaneous…
We study the pairwise interactions of drops in an applied uniform DC electric field within the framework of the leaky dielectric model. We develop three-dimensional numerical simulations using the boundary integral method and an analytical…
We develop a quenched thermodynamic formalism for a wide class of random maps with non-uniform expansion, where no Markov structure, no uniformly bounded degree or the existence of some expanding dynamics is required. We prove that every…
The goal of the paper is to derive a revised condition of global equilibrium in complex chemical systems as variational principle in formalism of recently developed discrete thermodynamics (DTD) of chemical equilibria. In classical approach…
Entropy, its production, and its change in a dynamical system can be understood from either a fully stochastic dynamic description or from a deterministic dynamics exhibiting chaotic behavior. By taking the former approach based on the…
Lattice models are crucial for studying thermodynamic properties in many physical, biological and chemical systems. We investigate Lattice Restricted Primitive Model (LRPM) of electrolytes with different discretization parameters in order…