The earliest molecular dynamics simulations relied on solving the Newtonian or equivalently
the Hamiltonian equations of motion for a system. While pedagogically very important as the …

Significant advances in nanoscale research have enabled the continuous miniaturization of
devices. With the reduction in the size of the devices, it is important to identify if the …

We study the problem of a projectile impacting on a target at different length scales
employing two widely used techniques—molecular dynamics (MD) simulations at atomistic …

We analyze the ergodicity of three one-dimensional Hamiltonian systems, with harmonic,
quartic and Mexican-hat potentials, coupled to the logistic thermostat. As criteria for …

We relate progress in statistical mechanics, both at and far from equilibrium, to advances in
the theory of dynamical systems. We consider computer simulations of time-reversible …

This study presents a comprehensive procedure to calculate the exact dynamic Green's
function of a harmonic semi-infinite solid and the time trajectories of the atoms, in the …

Dynamical equations describing physical systems in contact with a thermal bath are
commonly extended by mathematical tools called “thermostats.” These tools are designed …

We identify the temperature being measured by a thermometer in a nonequilibrium scenario
by studying heat conduction in a three-dimensional Lennard-Jones (LJ) system whose two …

Usual approach to investigate the statistical properties of deterministically thermostated
systems is to analyze the regime of the system motion. In this work the cumulant analysis is …

Abstract The Zeroth Law implies that the three systems, each separately in equilibrium and
having the same temperature, must remain so when brought in pairwise or simultaneous …