相关论文: Phase Separation in Peptide Aggregation Processes …

We study the thermodynamic properties of the three-dimensional Blume-Capel model on the simple cubic lattice by means of computer simulations. In particular, we implement a parallelized variant of the multicanonical approach and perform…

We show that arbitrary phase space vector fields can be used to generate phase functions whose ensemble averages give the thermodynamic temperature. We describe conditions for the validity of these functions in periodic boundary systems and…

We report a single-copy tempering method for simulating large complex systems. In a generalized ensemble, the method uses runtime estimate of the thermal average energy computed from a novel integral identity to guide a continuous…

First order phase transitions are described in terms of the microcanonical and canonical ensemble, with special attention to finite size effects. Difficulties in interpreting a "caloric curve" are discussed. A robust parameter indicating…

New experiments for water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed…

Considering one-dimensional nonminimally-coupled lattice gauge theories, a class of nonlocal one-dimensional systems is presented, which exhibits a phase transition. It is shown that the transition has a latent heat, and, therefore, is a…

Small thermodynamic systems exhibit peculiar behavior different from that observed in long-scale systems. Non-equilibrium processes taking place in those systems are strongly influenced by the presence of fluctuations which can be large.…

Two-dimensional (2D) particulate aggregates formed due to competing interactions exhibit a range of non-equilibrium steady state morphologies from finite-size compact crystalline structures to non-compact string-like conformations. We…

Ensemble inequivalence has been observed in several systems. In particular it has been recently shown that negative specific heat can arise in the microcanonical ensemble in the thermodynamic limit for systems with long-range interactions.…

We propose a method of describing a phase transition in a cell fluid model with pair interaction potential that includes repulsive and attractive parts. An exact representation of the grand partition function of this model is obtained in…

Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…

A generalization of the microcanonical ensemble suggests a simple strategy for the simulation of first order phase transitions. At variance with flat-histogram methods, there is no iterative parameters optimization, nor long waits for…

We study the thermodynamic behavior of a simple off-lattice model for protein folding. The model is two-dimensional and has two different ``amino acids''. Using numerical simulations of all chains containing eight or ten monomers, we…

In conflict with standard notions of thermodynamics, mesoscopically-sized inclusions (``clusters'') of a solute-rich liquid have been observed in equilibrated solutions of proteins and other molecules. According to a complexation scenario…

We study a generic model of self-assembling chains which can branch and form networks with branching points (junctions) of arbitrary functionality. The physical realizations include physical gels, wormlike micells, dipolar fluids and…

Polariton condensates occur away from thermal equilibrium, in an open system where heat and particles are continually exchanged with reservoirs. These phenomena have been extensively analyzed in terms of kinetic equations. Based on the…

More than a century has passed since van't Hoff and Arrhenius formulated their celebrated rate theories, but there are still elusive aspects in the temperature-dependent phase transition kinetics of molecular systems. Here I present a…

Phase separation in the Hubbard model is investigated with the dynamical cluster approximation. We find that it is present in the paramagnetic solution for values of filling smaller than one and at finite temperature when a positive…

We investigate a novel variant of the exclusion process in which particles perform asymmetric nearest-neighbor jumps across a bond \((k, k+1)\) only if the preceding site \((k-1)\) is unoccupied. This next-nearest-neighbor constraint…

The statement that any phase transition is related to the appearance or disappearance of long-range spatial correlations precludes a finite transition temperature in one-dimensional (1D) systems. In this paper we demonstrate that the 1D…