Non-equilibrium molecular dynamics simula- tions, of crucial importance in sliding friction, are ham- pered by arbitrariness and uncertainties in the removal of the frictionally generated Joule heat. Building upon general pre-existing formulation, we implement a fully micro- scopic 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–slip 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.

Optimal Energy Dissipation in Sliding Friction Simulations / Benassi, A.; Vanossi, A.; Santoro, Giuseppe E.; Tosatti, E.. - In: TRIBOLOGY LETTERS. - ISSN 1023-8883. - 48:1(2012), pp. 41-49. [10.1007/s11249-012-9936-5]

Optimal Energy Dissipation in Sliding Friction Simulations

Santoro, Giuseppe E.;Tosatti, E.
2012-01-01

Abstract

Non-equilibrium molecular dynamics simula- tions, of crucial importance in sliding friction, are ham- pered by arbitrariness and uncertainties in the removal of the frictionally generated Joule heat. Building upon general pre-existing formulation, we implement a fully micro- scopic 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–slip 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.
2012
48
1
41
49
Benassi, A.; Vanossi, A.; Santoro, Giuseppe E.; Tosatti, E.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/14156
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