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We present the results of a series of calculations studying the collapse of molecular cloud cores performed using a three-dimensional smoothed particle hydr odynamics code with radiative transfer in the flux-limited diffusion approximation.…
Molecular dynamics simulations are performed to study spatially heterogeneous dynamics in a model of viscous silica above and below the critical temperature of the mode coupling theory, $T_{MCT}$. Specifically, we follow the evolution of…
Fragment mass distributions from the fission of U and Pu isotopes at low excitation energies are studied using a dynamical model based on the fluctuation-dissipation theorem formulated as Langevin equations. The present calculations…
Langevin Dynamics simulations are used to study the effect of shear on a two-dimensional colloidal crystal confined by structured parallel walls. When walls are sheared very slowly, only two or three crystalline layers next to the walls…
Jammed packings of repulsive elastic spheres have emerged as a rich model system within which elastic properties of disordered glassy materials may be elucidated. Most of the work on these packings have focused on the case of vanishing…
The dynamics of adhesion of a spherical micro-particle to a ligand-coated wall, in shear flow, is studied using a Langevin equation that accounts for thermal fluctuations, hydrodynamic interactions and adhesive interactions. Contrary to the…
Graphene foams have recently attracted a great deal of interest for their possible use in technological applications, such as electrochemical storage devices, wearable electronics, and chemical sensing. In this work, we present…
The statistical mechanical behavior of weakly nonlinear multimoded optical settings is attracting increased interest during the last few years. The main purpose of this work is to numerically investigate the main factors that affect the…
Density functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results…
The circumgalactic medium (CGM) is responsive to kinetic disruptions generated by nearby astrophysical events. In this work, we study the saturation and dissipation of turbulent hydrodynamics within the CGM through an extensive array of 252…
Understanding the connection between thermodynamics and dynamics in glass-forming liquids remains a central challenge in condensed matter physics. In this study, we investigate a novel model system that enables a continuous crossover from a…
Breakage is generally understood in mechanical terms, yet nano-structures can rupture not only under external loads but also via thermal activation. Here we treat in a general framework the statistical mechanics of thermally induced…
We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from O(10^-2)…
We study the relaxation dynamics of flux lines in dirty high-temperature superconductors using numerical simulations of a London-Langevin model of the interacting vortex lines. By analysing the equilibrium dynamics in the vortex liquid…
The $S=1/2$ hyperkagome-lattice Heisenberg antiferromagnet allows to study the interplay of geometrical frustration and quantum as well as thermal fluctuations in three dimensions. We use 16 terms of a high-temperature series expansion…
The breakage of a polymer chain of segments, coupled by anharmonic bonds with applied constant external tensile force is studied by means of Molecular Dynamics simulation. We show that the mean life time of the chain becomes progressively…
We present molecular dynamics simulations of the SPC/E model of water to probe the dynamic properties at temperatures from 350 K down to 190 K and pressures from 2.5GPa (25kbar) down to -300MPa (-3kbar). We compare our results with those…
We investigate a binary Lennard-Jones mixture with molecular dynamics simulations. We consider first a system cooled linearly in time with the cooling rate gamma. By varying gamma over almost four decades we study the influence of the…
We use molecular dynamics to study the vibrations of a thermally fluctuating two-dimensional elastic membrane clamped at both ends. We directly extract the eigenmodes from resonant peaks in the frequency domain of the time-dependent height…
The understanding of the structural and thermal properties of membranes, low-dimensional flexible systems in a space of higher dimension, is pursued in many fields from string theory to chemistry and biology. The case of a two-dimensional…