Related papers: Equilibrium structure of decagonal AlNiCo
Ultracold atomic gases can undergo phase transitions that mimic relativistic vacuum decay, allowing us to empirically test early-Universe physics in tabletop experiments. We investigate the physics of these analog systems, going beyond…
We study a system of ultra-cold atoms possessing long range interaction (e.g. dipole-dipole interaction) in a one dimensional optical lattice in the presence of a confining harmonic trap. We have shown that for large enough on-site and…
We use a new variant of Molecular Static method for simulation of the atomic structure near nanovoids. In our model an iterative procedure is employed, in which the atomic structure in the void vicinity and the parameter determining the…
A Monte Carlo simulation study of the vacancy-assisted domain-growth in asymmetric binary alloys is presented. The system is modeled using a three-state ABV Hamiltonian which includes an asymmetry term, not considered in previous works. Our…
Carbon solubility in face-centered cubic Ni-W alloys and the phase diagram of C-Ni-W are investigated by means of first principle calculations and semi-grand canonical Monte Carlo simulations. With density functional theory (DFT) total…
6-d polyhedral models give a periodic description of aperiodic quasicrystals. There are powerful tools to describe their structural surface properties. Basis of the model for icosahedral quasicrystals are given. This description is further…
We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair correlation function, static structure factor, and momentum density of the ground state of the two-dimensional homogeneous electron gas. We…
We describe a Monte Carlo scheme which, in a single simulation, yields a measurement of the chemical potential of a crystalline solid. Within the isobaric ensemble, this immediately provides an estimate of the system free energy, with…
By tempered Monte Carlo simulations, we study site-diluted Ising systems of magnetic dipoles. All dipoles are randomly placed on a fraction x of all L^3 sites of a simple cubic lattice, and point along a given crystalline axis. For x_c<…
Deformation, a key concept in our understanding of heavy nuclei, is based on a mean-field description that breaks the rotational invariance of the nuclear many-body Hamiltonian. We present a method to analyze nuclear deformations at finite…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
Using a combination of quantum Monte Carlo simulations in adapted cluster bases, the finite temperature Lanczos method, and an effective Hamiltonian approach, we explore the thermodynamic properties of the spin-1/2 Heisenberg…
We present a fully dynamical simulation of central nuclear collisions around mid-rapidity at LHC energies. Unlike previous treatments, we simulate all phases of the collision, including the equilibration of the system. For the simulation,…
We present results of Monte-Carlo simulations for finite 2D single and bilayer systems. Strong Coulomb correlations lead to arrangement of particles in configurations resembling a crystal lattice. For binary layers, there exists a…
The five crystal structures of selected UNi$_{x}$Sb$_2$ compositions are investigated by density functional theory supercell calculations. The considered phases are USb$_2$, UNi$_{0.33}$Sb$_2$, UNi$_{0.5}$Sb$_2$, UNi$_{0.66}$Sb$_2$, and…
In a recent Letter we proposed a means to realize a quasicrystal with eight-fold symmetry by trapping particles in an optical potential created by four lasers. The quasicrystals obtained in this way, which are closely related to the…
Representations of atomic orbitals based on Monte-Carlo (MC) approaches are not always correct when using various sets of orthogonal coordinates other than Cartesian coordinates. The analysis proposed here gives elements for a proper use of…
Simple models for spherical particles with a soft shell have been shown to self-assemble into numerous crystal phases and even quasicrystals. However, most of these models rely on a simple pairwise interaction, which is usually a valid…
Using a lattice-gas model with pairwise interactions, we study the ordered structures, coverage dependence of the heat of adsorption, and other experimentally observable behavior of adsorbed CO overlayers on Pd(100) single crystal surfaces.…
Conformational phases of a semiflexible off-lattice homopolymer model near an attractive substrate are investigated by means of multicanonical computer simulations. In our polymer-substrate model, nonbonded pairs of monomers as well as…