Related papers: Thermodynamics of point defects and diffusion mech…
The thermodynamic properties for three different types of off-lattice four-strand beta-sheet protein models interacting via a hybrid Go-type potential have been investigated. Discontinuous molecular dynamic simulations have been performed…
Patterns in reaction-diffusion systems near primary bifurcations can be studied locally and classified by means of amplitude equations. This is not possible for excitable reaction-diffusion systems. In this Letter we propose a global…
The issue of the thermodynamics of a system of distinguishable particles is discussed in this paper. In constructing the statistical mechanics of distinguishable particles from the definition of Boltzmann entropy, it is found that the…
This study examines anomalous diffusion and dynamical phase transitions in a nonlinear bouncer model with short-range interactions leading to velocity-dependent (adiabatic) collisions. By varying a control parameter, transitions between…
Point defects play a crucial role in crystalline materials as they do not only impact the thermodynamic properties but are also central to kinetic processes. While they are necessary in thermodynamic equilibrium spontaneous defect formation…
We study the steady state of a stochastic particle system on a two-dimensional lattice, with particle influx, diffusion and desorption, and the formation of a dimer when particles meet. Surface processes are thermally activated, with…
We study the topological configurations and dynamics of individual point defect vacancies and interstitials in a two-dimensional colloidal crystal. Our Brownian dynamics simulations show that the diffusion mechanism for vacancy defects…
We study heat conduction in a one-dimensional chain of particles with longitudinal as well as transverse motions. The particles are connected by two-dimensional harmonic springs together with bending angle interactions. The problem is…
Phase separation of binary fluids quenched by contact with cold external walls is considered. Navier-Stokes, convection-diffusion, and energy equations are solved by lattice Boltzmann method coupled with finite-difference schemes. At high…
Thawing and freezing quintessence models are compared thermodynamically. Both of them are found to disobey the Generalized Second Law of Thermodynamics. However, for freezing models, there is still a scope as this breakdown occurs in the…
A theoretical model of the formation of an amorphous phase during the quenching of a metallic melt is proposed. It has been shown that the appearance of a significant temperature gradient during the quenching of a metallic melt leads to…
The large-deviation method can be used to study the measurement trajectories of open quantum systems. For optical arrangements this formalism allows to describe the long time properties of the (non-equilibrium) photon counting statistics in…
Jaccards' theory describes the movement of both ionic and Bjerrum defects in ice. Standard descriptions of the theory are based on a chain model describing the movement of these defects along well-oriented chains of water molecules.…
We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and…
Ab initio calculations and statistical mechanics are combined to elucidate the thermodynamics of H vacancies in MgH2. A general method based on a grand-canonical ensemble of defect configurations is introduced to model the exchange of…
We study the transport properties of a system of active particles moving at constant speed in an heterogeneous two-dimensional space. The spatial heterogeneity is modeled by a random distribution of obstacles, which the active particles…
A review of the characteristic features found in fully energy-damped, binarydecay yields from light heavy-ion reactions with $20\leq A_{target} + A_{projectile}\leq 80$ is presented. The different aspects of these yields that have been used…
Dislocations are the main carriers of plastic deformation in crystalline materials. Physically based constitutive equations of crystal plasticity typically incorporate dislocation mechanisms, using a dislocation density based description of…
The thermodynamic dislocation theory presented in preceding papers is used here to describe shear-banding instabilities. Central ingredients of the theory are a thermodynamically defined effective configurational temperature, and a formula…
The majority vote model is one of the simplest opinion systems yielding distinct phase transitions and has garnered significant interest in recent years. However, its original formulation is not, in general, thermodynamically consistent,…