Accelerated molecular dynamics simulation of low-velocity frictional sliding

Details Accelerated molecular dynamics simulation of low-velocity frictional sliding Accelerated molecular dynamics simulation of low-velocity frictional sliding

2009-09-28

arxiv.org/abs/0909.5215v1

Physics

Condensed Matter

Materials Science

26 pages with 13 figures

Scientific paper

Accelerated molecular dynamics (MD) simulations are implemented to model the sliding process of AFM experiments at speeds close to those found in experiment. In this study the hyperdynamics method, originally devised to extend MD time scales for non-driven systems, is applied to the frictional sliding system. This technique is combined with a parallel algorithm that simultaneously simulates the system over a range of slider positions. The new methodologies are tested using 2-dimensional and 3-dimensional Lennard-Jones AFM models. Direct comparison with the results from conventional MD shows close agreement validating the methods.

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