相关论文: A computational study of 13-atom Ne-Ar cluster hea…

Although the existence of 13-atom icosahedral clusters in one-component close-packed undercooled liquids was predicted more than half a century ago by Frank, the existence of such icosahedral clusters is less clear in liquid alloys. We…

Using state-of-the-art rare-event sampling simulations, we precisely characterize the nucleation of liquid droplets from a supersaturated Lennard-Jones gas and uncover a key physical feature: critical clusters nucleate with a density that…

The Auxiliary Field Diffusion Monte Carlo method has been applied to simulate droplets of 7 and 8 neutrons. Results for realistic nucleon-nucleon interactions, which include tensor, spin--orbit and three--body forces, plus a standard…

An extensive Monte Carlo study of the classical Heisenberg model on a simple cubic lattice with antiferromagnetic exchange interactions $J_n$ between the first, second, and third neighbors is performed in a broad region of $J_2 / J_1$, $J_3…

We report ground state energies and structural properties for small helium clusters (4He) containing an H- impurity computed by means of variational and diffusion Monte Carlo methods. Except for 4He_2H- that has a noticeable contribution…

We report on a detailed spatial and spectral analysis of the large-scale X-ray emission from the merging cluster Cygnus A. We use 2.2 Ms Chandra and 40 ks XMM-Newton archival datasets to determine the thermodynamic properties of the…

The formation, growth, structure and cluster size distribution (CSD) properties in a two-dimensional system of particles interacting with Lennard-Jones (LJ) potential under controlled cooling condition have been studied using Monte-Carlo…

Finite-temperature properties of weakly doped antiferromagnets as modeled by the two-dimensional t-J model and relevant to underdoped cuprates are investigated by numerical studies of small model systems at low doping. Two numerical methods…

We study the phase behavior of single homopolymers in a simple hydrophobic/hydrophilic off-lattice model with sequence independent local interactions. The specific heat is, not unexpectedly, found to exhibit a pronounced peak well below the…

We present results obtained from a set of cosmological hydrodynamic simulations of galaxy clusters, aimed at comparing predictions with observational data on the diversity between cool-core (CC) and non-cool-core (NCC) clusters. Our…

We report studies of the wetting behavior of Ne on very weakly attractive surfaces, carried out with the Grand Canonical Monte Carlo method. The Ne-Ne interaction was taken to be of Lennard-Jones form, while the Ne-surface interaction was…

We have proposed a cluster heat bath method in Monte Carlo simulations of Ising models in which one of the possible spin configurations of a cluster is selected in accordance with its Boltzmann weight. We have argued that the method…

We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with $10^9$ atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent…

Understanding the properties of Au$_{10}$ clusters entails identifying the lowest energy structure at cold and warm temperatures. While functional materials operate at finite temperatures, energy computations using density functional theory…

We demonstrate a key ingredient in a 'bottom-up' approach to building complex quantum matter using thermal atomic vapors. We have isolated and tracked very slowly moving individual atoms without the aid of laser cooling. Passive filtering…

Monte Carlo simulations are widely employed to measure the physical properties of glass-forming liquids in thermal equilibrium. Combined with local Monte Carlo moves, the Metropolis algorithm can also be used to simulate the relaxation…

The thermodynamics of solid (hcp) He-4 is studied theoretically by means of unbiased Monte Carlo simulations at finite temperature, in a wide range of density. This study complements and extends previous theoretical work, mainly by…

We use the quantum Monte Carlo (QMC) techniques to calculate the static structure function $S(q)$ of a one-component ion lattice and use it to calculate the thermal conductivity $\kappa$ of high-density solid matter expected in the neutron…

Parker (1972) first proposed that coronal heating was the necessary outcome of an energy flux caused by the tangling of coronal magnetic field lines by photospheric flows. In this paper we discuss how this model has been modified by…

We carry out high-resolution adaptive mesh refinement simulations of a cool core cluster, resolving the flow from Mpc scales down to pc scales. We do not (yet) include any AGN heating, focusing instead on cooling in order to understand how…