Related papers: Correlation between inherent structures and phase …
The Ising model is well-known for illustrating the fundamental characteristics of phase transitions in closed systems. In this article, we propose a generalization of the two-dimensional Ising model to open systems, considering the…
This work investigates phase separation of a monodisperse gas of inelastically colliding hard disks confined in a two-dimensional annulus, the inner circle of which represents a "thermal wall". When described by granular hydrodynamic…
The appearance of the non-homogeneous structures of the indirect exciton density distribution in the region of the quantum well (in the region of the inner ring) is explained. The structure (the fragmentation) occurs due to the exciton…
For substitutional alloys, typically refered to as classical discrete systems under constant composition, we theoretically examine the role of hidden structure information on evolution of nonlinearity (i.e., correspondence between a set of…
Quantum Monte Carlo simulations of a two-component Bose mixture of trapped dipolar atoms of identical masses and dipole moments, provide numerical evidence of de-mixing at low finite temperatures. De-mixing occurs as a consequence of…
We computationally studied the phase behavior and dynamics of binary mixtures of active particles, where each 'species' had distinct activities leading to distinct velocities, fast and slow. We obtained phase diagrams demonstrating…
Nuclear binding energies and two-neutron separation energies are analyzed starting from the liquid-drop model and the nuclear shell model in order to describe the global trends of the above observables. We subsequently concentrate on the…
We computationally study suspensions of slow and fast active Brownian particles that have undergone motility induced phase separation and are at steady state. Such mixtures, of varying non-zero activity, remain largely unexplored even…
An electric-field-induced phase transition and pattern formation in a binary dielectric fluid layer are studied using a coarse-grained free energy functional. The electrostatic part of the free energy is a nonlinear functional of the…
Most methods for estimating configurational entropy from molecular simulation data yield upper limits except for harmonic systems where they are exact. Problems arise at diffusive systems and the presence of conformational transitions.…
In this article we review the thermodynamics of liquids in the framework of the inherent structure formalism. We then present calculations of the distribution of the basins in the potential energy of a binary Lennard-Jones mixture as a…
In this article the configurational space of two simple protein models consisting of polymers composed of a periodic sequence of four different kinds of monomers is studied as a function of temperature. In the protein models, hydrogen bond…
We show that, depending on the ratio between the inter- and the intra-species interactions, a binary mixture trapped in a three-well potential with periodic boundary conditions exhibits three macroscopic ground-state configurations which…
One of the most efficient and reliable observational technique allowing to probe the internal structure of a star is the determination of the apsidal motion in close eccentric binaries. This secular precession of the binary orbit's major…
The improvements of the knowledge of the seismic structure of the inner core and the complexities thereby revealed ask for a dynamical origin. Sub-solidus convection was one of the early suggestions to explain the seismic anisotropy, but it…
Self-assembling novel ordered structures with nanoparticles has recently received much attention. Here we use computer simulations to study a two-dimensional model system characterized by a simple isotropic interaction that could be…
We show in numerical simulations that a system of two coupled replicas of a binary mixture of hard spheres undergoes a phase transition in equilibrium at a density slightly smaller than the glass transition density for an unreplicated…
We carried out three-dimensional simulations, with about 1.4 million particles, of phase segregation in a low density binary fluid mixture, described mesoscopically by energy and momentum conserving Boltzmann-Vlasov equations. Using a…
The interfacial free energy is a central quantity in crystallization from the meta-stable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous…
We study numerically an inhomogeneous Ising lattice gas with short-range interactions where different sectors are in contact with thermal baths at different temperatures. Inside the different sectors particles jump to empty sites following…