225 indexed results
We present a systematic study of the thermodynamics of two and three-dimensional generalized Lennard-Jones ($LJ$) systems focusing on the relationship
Lennard-Jones glasses (made on a computer by quenching from liquid state coordinates) are studied in harmonic approximation. Vibrational eigenfrequencies and
In two recent interesting letters evidence was presented for the existence of a growing dynamic correlation length when we approach
Using the activation-relaxation technique (ART), we study the nature of relaxation events in a binary Lennard-Jones system above and below
We report the results of calculation of diffusion coefficients for Lennard-Jones liquids, based on the idea of time-scale invariance of
In seeking to understand at a microscopic level the response of dislocations to stress we have undertaken to study as
We report molecular-dynamics simulations on a three-dimensional two-component Lennard-Jones fluid. We identify two distinct static length scales. The longer length
We examine in detail the causes of the structural transitions that occur for those small Lennard-Jones clusters that have a
Disconnectivity graphs are used to characterize the potential energy surfaces of Lennard-Jones clusters containing 13, 19, 31, 38, 55 and
The special nonlinear dynamical regimes, "bushes of normal modes", can exist in the N-particle Hamiltonian systems with discrete symmetry. The
We studied the possibility to approximate a Lennard Jones interaction by a pairwise contact potential. First we used a Lennard-Jones
We describe a global optimization technique using `basin-hopping' in which the potential energy surface is transformed into a collection of
Using a global optimization approach that directly searches for the composition of greatest stability, we have been able to find
We study, through molecular dynamics, a conservative two-dimensional Lennard-Jones-like gas (with attractive potential $\propto r^{-α}$). We consider the effect of
A new atomic cluster structure corresponding to the global minimum of the 98-atom Lennard-Jones cluster has been found using a
We present Molecular Dynamics (MD), Quasi Harmonic Lattice Dynamics (QHLD) and Energy Minimization (EM) calculations for the crystal structure of
The properties of higher-index saddle points have been invoked in recent theories of the dynamics of supercooled liquids. Here we
We report on numerical procedures for, and preliminary results on the search for, tunnelling centres in Lennard-Jones clusters, seen as
A Lennard--Jones model of a binary dense liquid (A,B) with a symmetrical miscibility gap is investigated by means of computer
The 38-atom Lennard-Jones cluster has a paradigmatic double-funnel energy landscape. One funnel ends in the global minimum, a face-centred-cubic (fcc)
Theoretical design of global optimization algorithms can profitably utilize recent statistical mechanical treatments of potential energy surfaces (PES's). Here we
We present results from three-dimensional (3-D) numerical simulations investigating the magnetohydrodynamics of cloud-wind interactions. The initial cloud is spherical while
We report on an effort to study the connections between dynamics in simulated radio galaxy plasma flows and the properties
We investigate the dynamical importance of a newly recognized possible source of significant feedback generated during structure formation; namely cosmic