Identification of the invariant manifolds of the LiCN molecule using Lagrangian descriptors

F. Revuelta, R. M. Benito, and F. Borondo
Phys. Rev. E 104, 044210 – Published 20 October 2021

Abstract

In this paper, we apply Lagrangian descriptors to study the invariant manifolds that emerge from the top of two barriers existing in the LiCNLiNC isomerization reaction. We demonstrate that the integration times must be large enough compared with the characteristic stability exponents of the periodic orbit under study. The invariant manifolds manifest as singularities in the Lagrangian descriptors. Furthermore, we develop an equivalent potential energy surface with 2 degrees of freedom, which reproduces with a great accuracy previous results [F. Revuelta, R. M. Benito, and F. Borondo, Phys. Rev. E 99, 032221 (2019)]. This surface allows the use of an adiabatic approximation to develop a more simplified potential energy with solely 1 degree of freedom. The reduced dimensional model is still able to qualitatively describe the results observed with the original 2-degrees-of-freedom potential energy landscape. Likewise, it is also used to study in a more simple manner the influence on the Lagrangian descriptors of a bifurcation, where some of the previous invariant manifolds emerge, even before it takes place.

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  • Received 22 July 2021
  • Accepted 28 September 2021

DOI:https://doi.org/10.1103/PhysRevE.104.044210

©2021 American Physical Society

Physics Subject Headings (PhySH)

Nonlinear Dynamics

Authors & Affiliations

F. Revuelta1, R. M. Benito1, and F. Borondo2,3

  • 1Grupo de Sistemas Complejos, Escuela Técnica Superior de Ingeniería Agronómica, Alimentaria y de Biosistemas, Universidad Politécnica de Madrid, Avenida Puerta de Hierro 2-4, 28040 Madrid, Spain
  • 2Instituto de Ciencias Matemáticas (ICMAT), Cantoblanco, 28049 Madrid, Spain
  • 3Departamento de Química, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid, Spain

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Issue

Vol. 104, Iss. 4 — October 2021

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