This document summarizes initial progress toward advancing the fundamental understanding of the friction, wear and mechanics of interfaces subjected to extreme electromagnetic stress, high relative velocities and elevated temperatures. During this reporting period, faculty and staff from Georgia Tech, Cornell, N.C. State and Rensselaer Polytechnic performed tasks in two thrust areas of basic research: Modeling and Experiment. With respect to the former, investigators are looking at mixed lubrication and its ...
This project uses molecular dynamics simulations to study the short - time chemistry and physics of detonating solids. A variety of condensed phase systems are studied ranging from one-dimensional chains to complex molecular solids. This research first requires the development of potentials capable of realistically modeling shock-induced chemical reactions in energetic molecular solids. Molecular dynamics simulations using these potentials are then carried out to study the role of molecular-scale chemistry ...
One dimensional molecular dynamics simulations of the onset of detonation have been performed using three-body potentials which accurately reproduce the effects of endothermic bond breaking and exothermic bond recombinations. A stable detonation wave of reasonable velocity can be produced from the impact of a plate upon a stationary array of diatomic molecules. The onset of detonation has been studied using a variety of potential forms including LEPS and Tersoff potentials. ...
A two-dimensional molecular-dynamics model of a chemically-sustained shock wave in a molecular solid is discussed. A many-body expression that realistically describes chemical bonding in condensed phases is used for interatomic potential. The results demonstrate that simple reactive collisions are sufficient to self-sustain a shock wave with a velocity that is comparable to experimental detonation velocities. Features characteristic of macroscopic detonations such as an intrinsic detonation velocity and a following flow ...
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