Related papers: Enhancing entropy and enthalpy fluctuations to dri…
Collapse, or a gravitational-like phase transition is studied in a microcanonical ensemble of particles with an attractive $1/r^{\alpha}$ potential. A mean field continuous integral equation is used to determine a saddle-point density…
In the present chapter, we discuss an approach for transition from discrete to continuum description of thermomechanical behavior of solids. The transition is carried out for several anharmonic systems: one-dimensional crystal,…
We use molecular dynamics with an embedded atom potential to study the behavior of palladium nanoclusters near the melting point in the microcanonical ensemble. We see transitions from both fcc and decahedral ground state structures to…
Over recent years, molecular simulations have provided invaluable insights into the microscopic processes governing the initial stages of crystal nucleation and growth. A key aspect that has been observed in many different systems is the…
The formation of astrophysical structures, such as stars, compact objects but also galaxies, entail an,enhancement of densities by many orders of magnitude which occurs through gravitational collapse. The role played by turbulence during…
We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…
The analysis of Coulomb crystallization is extended from one-component to two-component plasmas. Critical parameters for the existence of Coulomb crystals are derived for both classical and quantum crystals. In the latter case, a critical…
When we lower the temperature of a liquid, at some point we meet a first order phase transition to the crystal. Yet, under certain conditions it is possible to keep the system in its metastable phase and to avoid crystallization. In this…
By using a two-mode description, we show that there exist the multistability, phase transition and associated critical fluctuations in the macroscopic tunneling process between the halves of a double-well trap containing a Bose-Einstein…
Molecular dynamics simulations of a quasi-harmonic solid are conducted to elucidate the meaning of temperature fluctuations in canonical systems and validate a well-known but frequently contested equation predicting the mean square of such…
We propose a novel computational strategy to study the glass transition of molecular fluids. Our approach combines the construction of simple yet realistic models with the development of Monte Carlo algorithms to accelerate equilibration…
A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most…
Nucleation is the onset of a first-order phase transition by which a metastable phase transforms into a more stable one. Such a phase transition occurs when an initial system initially in equilibrium is destabilized by the change of an…
Uncertainty is an important feature of dynamic systems, and entropy has been widely used to measure this attribute. In this Letter, we prove that state aggregation and decomposition can decrease and increase the entropy, respectively, of…
In classical information theory, a causal relationship between two variables is typically modelled by assuming that, for every possible state of one of the variables, there exists a particular distribution of states of the second variable.…
We have carried out computer simulations of overcompressed suspensions of hard monodisperse ellipsoids and observed their crystallization dynamics. The system was compressed very rapidly in order to reach the regime of slow, glass-like…
We propose a scenario for the glass transition based on the cooperative nature of nucleation processes and entropic effects. The main point is the relation between the off-equilibrium energy dissipation and nucleation processes in…
As a model for a suspension of hard-sphere like colloidal particles where small nonadsorbing dissolved polymers create a depletion attraction, we introduce an effective colloid-colloid potential closely related to the Asakura-Oosawa model…
We study the collective vibrational excitations of crystals under out-of-equilibrium steady conditions that give rise to entropy production. Their excitation spectrum comprises equilibrium-like phonons of thermal origin and additional…
Nucleation phenomena commonly observed in our every day life are of fundamental, technological and societal importance in many areas, but some of their most intimate mechanisms remain however to be unravelled. Crystal nucleation, the early…