https://doi.org/10.1140/epjb/e2019-90703-0
Regular Article
A model for a driven Frenkel–Kontorova chain★
1
Mathematisches Institut, Universität Leipzig, PF 100920,
04009
Leipzig, Germany
2
Departament de Química Inorgànica i Orgànica, Secció de Química Orgànica, and Institut de Química Teòrica i Computacional, (IQTCUB), Universitat de Barcelona,
Martí i Franquès 1,
08028
Barcelona, Spain
a e-mail: quapp@uni-leipzig.de
Received:
30
November
2018
Received in final form:
26
February
2019
Published online: 8 May 2019
We study a Frenkel–Kontorova (FK) model of a finite chain with free-end boundary conditions. The model has two competing potentials. Newton trajectories are an ideal tool to understand the circumstances under a driving of an FK chain by external forces. To reach the insights we calculate some stationary structures for a chain with 23 particles. We search the lowest energy saddle points for a complete minimum energy path of the chain for a movement over the full period of the on-site potential, a sliding. If an additional tilting is set, then one is interested in barrier breakdown points (BBPs) on the potential energy surface for a critical tilting force named the static frictional force. In symmetric cases, such BBPs are often valley-ridge inflection points of the potential energy surface. We explain the theory and demonstrate it with an example. We propose a model for a DC drive, as well as an AC drive, of the chain using special directional vectors of the external force.
Key words: Computational Methods
Supplementary material in the form of one pdf file available from the Journal web page at https://doi.org/10.1140/epjb/e2019-90703-0
© EDP Sciences / Società Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature, 2019