Related papers: An observable for vacancy characterization and dif…
Molecular crystals often exist in multiple competing polymorphs, showing significantly different physico-chemical properties. Computational crystal structure prediction is key to interpret and guide the search for the most stable or useful…
Using the supersymmetry approach, we study spectral statistical properties of a two-dimensional quantum particle subject to a non-uniform magnetic field. We focus mainly on the problem of regularisation of the field theory. Our analysis…
Layered materials tend to exhibit intriguing crystalline symmetries and topological characteristics based on their two dimensional (2D) geometries and defects. We consider the diffusion dynamics of positively charged ions (cations)…
Point defects such as interstitials, vacancies, and impurities in otherwise perfect crystals induce complex displacement fields that are of long-range nature. In the present paper we study numerically the response of a two-dimensional…
A system of N classical particles in a 2D periodic cell interacting via long-range attractive potential is studied. For low energy density $U$ a collapsed phase is identified, while in the high energy limit the particles are homogeneously…
When studying high-dimensional dynamical systems such as macromolecules, quantum systems and polymers, a prime concern is the identification of the most probable states and their stationary probabilities or free energies. Often, these…
We discuss a dynamical theory for nematic liquid crystals describing the stage of evolution in which the hydrodynamic fluid motion has already equilibrated and the subsequent evolution proceeds via diffusive motion of the orientational…
We study, on a $d$ dimensional hypercubic lattice, a random walk which is homogeneous except for one site. Instead of visiting this site, the walker hops over it with arbitrary rates. The probability distribution of this walk and the…
We study a simple model of a random walker in d dimensions moving in the presence of a local heterogeneous attracting factor expressed in terms of an assigned space-dependent "attractiveness function", a situation frequently encountered in…
Structural and static properties of a classical two-dimensional (2D) system consisting of a finite number of charged particles which are laterally confined by a parabolic potential are investigated by Monte Carlo (MC) simulations and the…
In the second part of this paper in micro canonical ensemble the new numerical approach for consideration of quantum dynamics and calculations of the average values of quantum operators and time correlation functions in the Wigner…
Kinetics of separation between the low and high density phases in a single component Lennard-Jones model has been studied via molecular dynamics simulations, at a very low temperature, in the space dimension $d=2$. For densities close to…
We generalize, and then use, a recently introduced formalism to study thermal fluctuations of atomic displacements in several two and three dimensional crystals. We study both close packed as well as open crystals with multi atom bases.…
We conduct experiments in a turbulent bubbly flow to study the nature of the transition between the classical $-$5/3 energy spectrum scaling for a single-phase turbulent flow and the $-$3 scaling for a swarm of bubbles rising in a quiescent…
We studied the statistical properties of the HI-to-H$_2$ transition observed in absorption in the local diffuse and multiphase ISM to identify the physical processes controlling the probability of occurrence of any line of sight. The…
We contrast two sets of conditions that govern the transition in which classical dynamics emerges from the evolution of a quantum system. The first was derived by considering the trajectories seen by an observer (dubbed the ``strong''…
The energetics and stability of dislocations, vacancies and, interstitials in the one-component plasma (OCP), where the charges interact with a log potential and move on the curved surface of a cylinder have been investigated numerically.…
We apply the concept of dynamic propensity to a simple kinetically constrained model of glass formers, the two-vacancy assisted triangular lattice gas, or (2)-TLG. We find that the propensity field, defined in our case as the local…
An equilibrium theory of classical fluids based on the space distribution among the particles is derived in the framework of the energy minimization method. This study is motivated by current difficulties of evaluation of optical properties…
We study heterogeneities in a binary Lennard-Jones system below the glass transition using molecular dynamics simulations. We identify mobile and immobile particles and measure their distribution of vibrational amplitudes. For temperatures…