相关论文: Equilibrium spherically curved 2D Lennard-Jones sy…
Quasistatic evolutions of critical points of time-dependent energies exhibit piecewise smooth behavior, making them useful for modeling continuum mechanics phenomena like elastic-plasticity and fracture. Traditionally, such evolutions have…
We review the $N$-Body Problem in arbitrary dimension $d$ at the kinematical level, with modelling Background Independence in mind. In particular, we give a structural analysis of its reduced configuration spaces, decomposing this subject…
The use of machine learning for modeling, understanding, and controlling large-scale physics systems is quickly gaining in popularity, with examples ranging from electromagnetism over nuclear fusion reactors and magneto-hydrodynamics to…
We study the energy-landscape network of Lennard-Jones clusters as a model of a glass forming system. We find the stable basins and the first order saddles connecting them, and identify them with the network nodes and links, respectively.…
Simulations are used to determine the effect of inertia on athermal shear of a two-dimensional binary Lennard-Jones glass. In the quasistatic limit, shear occurs through a series of rapid avalanches. The distribution of avalanches is…
We report on a computer simulation study of a Lennard-Jones liquid confined in a narrow slit pore with tunable attractive walls. In order to investigate how freezing in this system occurs, we perform an analysis using different order…
Self-similar curves are a recurring motif in nature. The tension-free stationary states of conformally invariant energies describe the simplest curves of this form. Planar logarithmic spirals, for example, are associated with conformal…
Laser trapped nanoparticles have been recently used as model systems to study fundamental relations holding far from equilibrium. Here we study, both experimentally and theoretically, a nanoscale silica sphere levitated by a laser in a low…
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…
The homogeneous and heterogeneous nucleation of a Lennard-Jones liquid is investigated using the umbrella sampling method. The free energy cost of forming a nucleating droplet is determined as a function of the quench depth, and the saddle…
We study the equilibrium conformations of a grafted polyelectrolyte (PE) in the presence of explicit counterions (CI) using Monte Carlo simulations. The interplay between attractive Lennard-Jones interactions (parametrized by epsilon), and…
We investigate solid-solid and solid-liquid transitions of elastic flexible off-lattice polymers with Lennard-Jones monomer-monomer interaction and anharmonic springs by means of sophisticated variants of multicanonical Monte Carlo methods.…
The nonequilibrium dynamics of a binary Lennard-Jones mixture in a simple shear flow is investigated by means of molecular dynamics simulations. The range of temperature investigated covers both the liquid, supercooled and glassy states,…
Nonequilibrium steady states of vibrated inelastic frictionless spheres are investigated in quasi-two-dimensional confinement via molecular dynamics simulations. The phase diagram in the density-amplitude plane exhibits a fluidlike…
Given recipe of qualitative, kinetic modelling by geometric methods of three-dimensional dendritic crystals. Characteristic features of the perturbations appearing on the surface of a spherical body, leading to different scenarios of the…
Three structural populations with distinct average mobility are identified within an equilibrium two-dimensional Lennard-Jones fluid simulated via molecular dynamics at a constant temperature and varying density. Quantifying the structure…
Lennard-Jones glasses (made on a computer by quenching from liquid state coordinates) are studied in harmonic approximation. Vibrational eigenfrequencies and eigenvectors are found by exact diagonalization for models with periodic…
Liquids displaying strong virial-potential energy correlations conform to an approximate density scaling of their structural and dynamical observables. This scaling property does not extend to the entire phase diagram, in general. The…
Using standard thermodynamics and previous results of the author, this paper aims to discuss the conditions for phase equilibrium in a Lennard-Jones fluid. Possibilities of astrophysical applications of the results obtained here are…
Molecular dynamics simulations frequently employ periodic boundary conditions where the positions of the periodic images are manipulated in order to apply deformation to the material sample. For example, Lees-Edwards conditions use moving…