Soliton analysis in complex molecular systems: A zig-zag chain
- Technical Univ. of Denmark, Lyngby (Denmark)
- Institute for Problems of Physics and Technology, Moscow (Russian Federation)
- Bogolyubov Institute for Theoretical Physics, Kyiv (Ukraine)
A simple numerical method for seeking solitary wave solutions of a permanent profile in molecular systems of big complexity is presented. The method is essentially based on the minimization of a finite-dimensional function which is chosen under an appropriate discretization of time derivatives in equations of motion. In the present paper, it is applied to a zig-zag chain backbone of coupled particles, each of which has two degrees of freedom (longitudinal and transverse). Both topological and nontopological soliton solutions are treated for this chain when it is (i) subjected to a two-dimensional periodic substrate potential or (ii) considered as an isolated object, respectively. In the first case, which may be considered as a zig-zag generalization of the Frenkel-Kontorova chain model, two types of kink solutions with different topological charges, describing vacancies of one or two atoms (I- or II-kinks) and defects with excess one or two atoms in the chain (I- or II-antikinks), have been found. The second case (isolated chain) is a generalization of the well-known Fermi-Pasta-Ulam chain model, which takes into account transverse degrees of freedom of the chain molecules. Two types of stable nontopological soliton solutions which describe either (i) a supersonic solitary wave of longitudinal stretching accompanied by transverse slandering or supersonic pulses of longitudinal compression propagating together with localized transverse thickening (bulge) have been obtained. 32 refs., 11 figs.
- OSTI ID:
- 535256
- Journal Information:
- Journal of Computational Physics, Journal Name: Journal of Computational Physics Journal Issue: 1 Vol. 134; ISSN 0021-9991; ISSN JCTPAH
- Country of Publication:
- United States
- Language:
- English
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