Judith A. Harrison

TL;DR: In this paper, a potential function is presented that can be used to model both chemical reactions and intermolecular interactions in condensed-phase hydrocarbon systems such as liquids, graphite, and polymers.

TL;DR: Brenner as mentioned in this paper presented a second generation potential energy function for solid carbon and hydrocarbon molecules that is based on an empirical bond order formalism, allowing for covalent bond breaking and forming with associated changes in atomic hybridization within a classical potential, producing a powerful method for modelling complex chemistry in large many-atom systems.

TL;DR: A directional dependence to the friction coefficient is found; that for certain crystallographic sliding directions μ increases with increasing load and as the temperature decreases; and that for the sliding speeds investigated here, μ is approximately independent of sliding velocity.

TL;DR: The approach is classical molecular dynamics using the reactive empirical bond order (REBO) and the adaptive intermolecular REBO potentials, and it is demonstrated that the buckling force of empty nanotubes depends on temperature and filling the nanotube disrupts this temperature effect.

TL;DR: The contribution of adhesion between the probe (counterface) and the sample to friction was examined by varying the saturation of the counterface, and decreasing the degree of counterface saturation increased the friction.