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

Revuelta Peña, Fabio and Benito Zafrilla, Rosa Maria and Borondo Rodríguez, Florentino (2021). Identification of the invariant manifolds of the LiCN molecule using Lagrangian descriptors. "Physical Review E", v. 104 (n. 044210); pp.. ISSN 2470-0053. https://doi.org/10.1103/PhysRevE.104.044210.

Description

Title: Identification of the invariant manifolds of the LiCN molecule using Lagrangian descriptors
Author/s:
  • Revuelta Peña, Fabio
  • Benito Zafrilla, Rosa Maria
  • Borondo Rodríguez, Florentino
Item Type: Article
Título de Revista/Publicación: Physical Review E
Date: 20 October 2021
ISSN: 2470-0053
Volume: 104
Subjects:
Freetext Keywords: variedades invariantes, descriptores lagrangianos, sistema molecular LiCN, bifurcación silla-nodo
Faculty: E.T.S. de Ingeniería Agronómica, Alimentaria y de Biosistemas (UPM)
Department: Ingeniería Agroforestal
UPM's Research Group: Sistemas Complejos GSC
Creative Commons Licenses: Recognition

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Abstract

In this paper, we apply Lagrangian descriptors to study the invariant manifolds that emerge from the top of two barriers existing in the LiCN <-> LiNC 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.

Funding Projects

TypeCodeAcronymLeaderTitle
Madrid Regional GovernmentAPOYO-JOVENES-4L2UB6-53- 29443NGeoCoSiMFabio RevueltaGeometría y control de sistemas complejos. Nuevas perspectivas
Government of SpainPGC2018-093854-BI00CHACOMRosa María BenitoUnspecified
Government of SpainCEX2019-000904-SUnspecifiedUnspecifiedPrograma Severo Ochoa
Horizon 2020734557TraXUnspecifiedPrograma People (Acción Marie Curie) de la Unión Europea

More information

Item ID: 68907
DC Identifier: https://oa.upm.es/68907/
OAI Identifier: oai:oa.upm.es:68907
DOI: 10.1103/PhysRevE.104.044210
Official URL: https://journals.aps.org/pre/abstract/10.1103/PhysRevE.104.044210
Deposited by: Fabio Fabio Revuelta Peña
Deposited on: 25 Oct 2021 06:08
Last Modified: 25 Oct 2021 06:08
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