Related papers: Single-parameter aging in a binary Lennard-Jones s…
We develop a generalized hyperdynamics method, which is able to simulate slow dynamics in atomistic general (both energy and entropy-dominated) systems. We show that a few functionals of the pair correlation function, involving two-body…
Single impurity effect on the melting process of magic number Lennard-Jones, rare gas, clusters of up to 309 atoms is studied on the basis of Parallel Tempering Monte Carlo simulations in the canonical ensemble. A decrease on the melting…
We numerically study aging for the Edwards-Anderson Model in 3 and 4 dimensions using different temperature-change protocols. In D=3, time scales a thousand times larger than in previous work are reached with the SUE machine. Deviations…
We study out of equilibrium dynamics and aging for a particle diffusing in one dimensional environments, such as the random force Sinai model, as a toy model for low dimensional systems. We study fluctuations of two times $(t_w, t)$…
The behavior of nuclear matter is studied at low densities and temperatures using classical molecular dynamics with three different sets of potentials with different compressibility. Nuclear matter is found to arrange in crystalline…
Using molecular dynamics simulations, we report phase separation in a 50:50 mixture of hot(active) and cold(passive) dumbbells which interact by Lennard-Jones potential. The ratio of the temperature difference between hot and cold dumbbells…
A first principle prediction of the binary nanoparticle phase diagram assembled by solvent evaporation has eluded theoretical approaches. In this paper, we show that a binary system interacting through Lennard-Jones (LJ) potential contains…
We report the results of calculation of diffusion coefficients for Lennard-Jones liquids, based on the idea of time-scale invariance of relaxation processes in liquids. The results were compared with the molecular dynamics data for…
The effects of electronic correlations and orbital degeneracy on thermoelectric properties are studied within the context of multi-orbital Hubbard models on different lattices. We use dynamical mean field theory with iterative perturbation…
A new molecular simulation method for the calculation of vapour-liquid equilibria of mixtures is presented. In this method, the independent thermodynamic variables are temperature and liquid composition. In the first step, one isobaric…
Time evolution of a perturbed thermal state is studied in a quantum-mechanical system with O(N) symmetry. In the limit of large N, time dependence of O(N)-singlet expectation values can be described by classical equations of motion in a…
We study thermodynamics of nuclear matter in a two-flavored parity doublet model within the mean field approximation. Parameters of the model are chosen to reproduce correctly the properties of the nuclear ground state. The model predicts…
We use a standard Monte-Carlo algorithm to study the slow dynamics of a binary Lennard-Jones glass-forming mixture at low temperature. We find that Monte-Carlo is by far the most efficient way to simulate a stochastic dynamics since…
The Kondo and Periodic Anderson Model (PAM) are known to provide a microscopic picture of many of the fundamental properties of heavy fermion materials and, more generally, a variety of strong correlation phenomena in $4f$ and $5f$ systems.…
The decay process of the schematic one-dimensional three-body system is considered. A time-dependent approach is used in combination with a one-dimensional three-body model, which is composed of a heavier core nucleus and two nucleons, with…
The article describes the potential application of thermodynamic simulation to forecast chemical aging and relevant color changes in painting. Qualitative and numerical results were obtained by applying the method to various mixtures of…
The three dimensional periodic Anderson model is studied with Quantum Monte Carlo. We find that the cross-over to the Kondo singlet regime is remarkably sharp at low temperatures, and that the behavior of magnetic correlations is…
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…
It is well known that elastic effects can cause surface instability. In this paper, we analyze a one-dimensional discrete system which can reveal pattern formation mechanism resembling the "step-bunching" phenomena for epitaxial growth on…
We study the relaxation dynamics of a binary Lennard-Jones liquid in the presence of an amorphous wall generated from equilibrium particle configurations. In qualitative agreement with the results presented in Nature Phys. {\bf 8}, 164…