Non-equilibrium Markov State Modeling (MSM) has recently been proposed by Pellegrini et al. [Phys. Rev. E 94, 053001 (2016)] as a possible route to construct a physical theory of sliding friction from a long steady state atomistic simulation: the approach builds a small set of collective variables, which obey a transition-matrix-based equation of motion, faithfully describing the slow motions of the system. A crucial question is whether this approach can be extended from the original 1D small size demo to larger and more realistic size systems, without an inordinate increase of the number and complexity of the collective variables. Here we present a direct application of the MSM scheme to the sliding of an island made of over 1000 harmonically bound particles over a 2D periodic potential. Based on a totally unprejudiced phase space metric and without requiring any special doctoring, we find that here too the scheme allows extracting a very small number of slow variables, necessary and sufficient to describe the dynamics of island sliding.
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21 October 2017
Research Article|
September 25 2017
A Markov state modeling analysis of sliding dynamics of a 2D model
M. Teruzzi;
M. Teruzzi
1
SISSA
, Via Bonomea 265, I-34136 Trieste, Italy
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F. Pellegrini;
F. Pellegrini
1
SISSA
, Via Bonomea 265, I-34136 Trieste, Italy
2
CNR-IOM Democritos National Simulation Center
, Via Bonomea 265, I-34136 Trieste, Italy
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A. Laio;
A. Laio
1
SISSA
, Via Bonomea 265, I-34136 Trieste, Italy
3
International Centre for Theoretical Physics (ICTP)
, Strada Costiera 11, I-34151 Trieste, Italy
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E. Tosatti
E. Tosatti
1
SISSA
, Via Bonomea 265, I-34136 Trieste, Italy
2
CNR-IOM Democritos National Simulation Center
, Via Bonomea 265, I-34136 Trieste, Italy
3
International Centre for Theoretical Physics (ICTP)
, Strada Costiera 11, I-34151 Trieste, Italy
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J. Chem. Phys. 147, 152721 (2017)
Article history
Received:
June 05 2017
Accepted:
September 07 2017
Citation
M. Teruzzi, F. Pellegrini, A. Laio, E. Tosatti; A Markov state modeling analysis of sliding dynamics of a 2D model. J. Chem. Phys. 21 October 2017; 147 (15): 152721. https://doi.org/10.1063/1.4986458
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