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Title: Sliding paths for series of Frenkel-Kontorova models - A contribution to the concept of 1D-superlubricity
Author: Quapp, Wolfgang
Bofill i Villà, Josep M.
Keywords: Fricció
Lubrificació i lubrificants
Lubrication and lubricants
Issue Date: 1-Sep-2019
Publisher: Springer Verlag
Abstract: Newton trajectories are used to calculate low energy pathways for a series of Frenkel-Kontorova models with 6 and up to 69 particles thus up to a medium chain, and an expedition to 101 particles. The model is a nite chain with free-end boundary conditions. It has two competing potentials and an additional, external force. We optimize stationary structures and calculate the low energy paths between global minimums for a movement of the chain over its on-site potential, if an external tilting by a push- and/or pull direction is applied. We propose to understand a low energy path for a possibility of a superlubricity of the chain. We compare di erent mis t parameters. The result is that the minimums di er only little, however, the critical length of the chain, Ncr, depends on the mis t parameter. Ncr describes the end of a `good' calculability of the Newton trajectory which follows the low energy pathway of the chain through the potential energy surface, for a movement of the chain along the axis. We discuss reasons for the boundary of an Ncr. However, we assume that the low energy paths exist beyond their calculability by NTs.
Note: Versió postprint del document publicat a:
It is part of: European Physical Journal B, 2019, vol. 92, num. 9, p. 193-213
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ISSN: 1434-6028
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)

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