Optimal Energy Dissipation in Sliding Friction Simulations |
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Authors: | A. Benassi A. Vanossi G. E. Santoro E. Tosatti |
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Affiliation: | 1. CNR Istituto per l??Energetica e le Interfasi (CNR-IENI), Via Cozzi 53, 20125, Milano, Italy 2. Centro S3, CNR Istituto Nanoscienze, Via Campi 213/A, 41125, Modena, Italy 3. International School for Advanced Studies (SISSA), Via Bonomea 265, 34136, Trieste, Italy 4. CNR-IOM Democritos National Simulation Center, Via Bonomea 265, 34136, Trieste, Italy 5. International Centre for Theoretical Physics (ICTP), P.O. Box 586, 34014, Trieste, Italy
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Abstract: | Non-equilibrium molecular dynamics simulations, of crucial importance in sliding friction, are hampered by arbitrariness and uncertainties in the removal of the frictionally generated Joule heat. Building upon general pre-existing formulation, we implement a fully microscopic dissipation approach which, based on a parameter-free, non-Markovian, stochastic dynamics, absorbs Joule heat equivalently to a semi-infinite solid, and harmonic substrate. As a test case, we investigate the stick?Cslip friction of a slider over a two-dimensional Lennard-Jones solid, comparing our virtually exact frictional results with approximate ones from commonly adopted dissipation schemes. Remarkably, the exact results can be closely reproduced by a standard Langevin dissipation scheme, once its parameters are determined according to a general and self-standing variational procedure. |
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