Related papers: Single-parameter aging in a binary Lennard-Jones s…
Combining the recent Piskulich-Thompson approach [Z. A. Piskulich and W. H. Thompson, {\it J. Chem. Phys.} {\bf 152}, 011102 (2020)] with isomorph theory, from a single simulation, the structure of a single-component Lennard-Jones (LJ)…
Intriguing phenomena such as subrecoil laser cooling of atoms, or aging phenomenon in glasses, have in common that the systems considered do not reach a steady-state during the experiments, although the experimental time scales are very…
Wetting and drying of a rigid substrate by a Lennard-Jones fluid in molecular dynamics simulations is reported. The size of the substrate particles, being smaller than the fluid particles in former simulations, is now taken to be equal to,…
As one of the most robust global optimization methods, simulated annealing has received considerable attention, with many variations that attempt to improve the cooling schedule. This paper introduces a variant of simulated annealing that…
The invariance of several structural and dynamical properties of the Lennard-Jones (LJ) system along the freezing and melting lines is interpreted in terms of the isomorph theory. First the freezing/melting lines for LJ system are shown to…
Identifying the conditions under which glass formation occurs is crucial for a fundamental understanding of the glass transition mechanism. Pure liquids devoid of any frustration avoid glass transition and undergo crystallization. In this…
We consider a simple model of a structural glass, represented by a lattice gas with kinetic constraints in contact with a particle reservoir. Quench below the glass transition is represented by the jump of the chemical potential above a…
We investigate the time evolution of statistical properties of a single mode radiation field after its interaction with a two-level atom. The entire system is described by a dispersive Jaynes-Cummings Hamiltonian assuming the atomic state…
Ageing of organic glasses to the equilibrium liquid state is studied by measuring the dielectric loss utilizing a microregulator where temperature is controlled by means of a Peltier element. Compared to conventional equipment the new…
The dynamics of the expansion of a Lennard-Jones system, initially confined at high density and subsequently expanding freely in the vacuum, is confronted to an expanding statistical ensemble, derived in the diluted quasi-ideal Boltzmann…
Inference of physical parameters from reference data is a well studied problem with many intricacies (inconsistent sets of data due to experimental systematic errors, approximate physical models...). The complexity is further increased when…
Different computational techniques in combination with molecular dynamics computer simulation are used to to determine the wall-liquid and the wall-crystal interfacial free energies of a modified Lennard-Jones (LJ) system in contact with a…
We present extensive numerical investigations of the structural relaxation dynamics of a realistic model of the amorphous high-temperature ceramic a-Si$_3$B$_3$N$_7$, probing the mean square displacement (MSD) of the atoms, the bond…
Recent experiments in quantum simulators have provided evidence for the Many-Body Localized (MBL) phase in 1D and 2D bosonic quantum matter. The theoretical study of such bosonic MBL, however, is a daunting task due to the unbounded nature…
We study and discuss rejuvenation and memory (numerical) experiments in Ising and Heisenberg three and four dimensional spin glasses. We introduce a quantitative procedure to analyze the results of temperature cycling experiments. We also…
This paper presents data for the physical aging of the three monoalcohols 2-ethyl-1-butanol, 5-methyl-2-hexanol, and 1-phenyl-1-propanol. Aging is studied by monitoring the dielectric loss at a fixed frequency in the kHz range following…
A method is presented that, when used in conjunction with single molecule experimental techniques, allows for the extraction of rates and mechanical properties of a biomolecule undergoing transitions between mechanically distinct states.…
We explore phase behaviour of a binary colloidal system under external spatially periodic modulation. We perform Monte Carlo simulation on a binary mixture of big and small repulsive Lennard-Jones particles with diameter ratio 1:2. We…
We present a systematic study of the thermodynamics of two and three-dimensional generalized Lennard-Jones ($LJ$) systems focusing on the relationship between the range of the potential, the system density and its dimension. We found that…
The influence of the unlike Lennard-Jones (LJ) parameters on vapor-liquid equilibria of mixtures is investigated and the performance of eleven combining rules is assessed. In the first part of the work, the influence of the unlike LJ size…