Transport and roaming on the double van der Waals potential energy surface

DOI10.1016/J.CNSNS.2021.105917zbMATH Open1477.37096arXiv2012.11471OpenAlexW3114950546MaRDI QIDQ2045964FDOQ2045964

Authors: Francisco Gonzalez Montoya, Víctor J. García-Garrido, Broncio Aguilar-Sanjuan, Stephen Wiggins 

Publication date: 16 August 2021

Published in: Communications in Nonlinear Science and Numerical Simulation (Search for Journal in Brave)

Abstract: This paper explores the phase space structures characterising transport for a double-well van der Waals potential surface. Trajectories are classified as inter-well, intra-well, and escaping-from-a-well to define different dynamical fates. In particular, roaming trajectories, which are a new paradigm in chemical reaction dynamics, are observed. We apply the method of Lagrangian descriptors to uncover the boundaries between the fates. We find that the boundaries between different fates are the stable and unstable manifolds of the hyperbolic periodic orbits, which bifurcate when the energy increases. The methodology presented here applies to other open systems with a double-well potential.

Full work available at URL: https://arxiv.org/abs/2012.11471

Recommendations

• Revealing roaming on the double Morse potential energy surface with Lagrangian descriptors
• Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids
• Dynamics on the double Morse potential: a paradigm for roaming reactions with no saddle points
• Nonlinear transport in hydrogen-bonded systems with asymmetric double-well potential
• On the transport between condensed phases
• scientific article; zbMATH DE number 1824034
• Nonadiabatic Van der Pol oscillations in molecular transport
• Bifurcation study on a degenerate double van der Waals cirque potential energy surface using Lagrangian descriptors
• Transport in a fluctuating potential
• Transport in a stochastic double diffusivity model

zbMATH Keywords

chemical reaction dynamicsphase space structureroamingLagrangian descriptors

Mathematics Subject Classification ID

Chemically reacting flows (80A32) Chemical kinetics in thermodynamics and heat transfer (80A30) Dynamical systems in solid mechanics (37N15)

Cites Work

• Transient chaos. Complex dynamics in finite-time scales
• Lagrangian descriptors: a method for revealing phase space structures of general time dependent dynamical systems
• Direct construction of a dividing surface of minimal flux for multi-degree-of-freedom systems that cannot be recrossed
• Wigner's dynamical transition state theory in phase space: classical and quantum
• A Theoretical Framework for Lagrangian Descriptors
• Exploring isomerization dynamics on a potential energy surface with an index-2 saddle using Lagrangian descriptors
• The decay of a normally hyperbolic invariant manifold to dust in a three degrees of freedom scattering system
• Detection of Periodic Orbits in Hamiltonian Systems Using Lagrangian Descriptors
• Dynamics on the double Morse potential: a paradigm for roaming reactions with no saddle points
• The role of normally hyperbolic invariant manifolds (NHIMS) in the context of the phase space setting for chemical reaction dynamics
• Finding NHIM: identifying high dimensional phase space structures in reaction dynamics using Lagrangian descriptors
• Atom scattering off a vibrating surface: an example of chaotic scattering with three degrees of freedom
• Roaming at constant kinetic energy: Chesnavich's model and the Hamiltonian isokinetic thermostat
• Revealing roaming on the double Morse potential energy surface with Lagrangian descriptors
• Tilting and squeezing: phase space geometry of Hamiltonian saddle-node bifurcation and its influence on chemical reaction dynamics
• Dynamics associated with the normally hyperbolic invariant manifold that governs the ionization of hydrogen in a circularly polarized electric field

Cited In (5)

• Revealing roaming on the double Morse potential energy surface with Lagrangian descriptors
• The phase space geometry underlying roaming reaction dynamics
• The numerical search for the internal dynamics of NHIMs and their pictorial representation
• Bifurcation study on a degenerate double van der Waals cirque potential energy surface using Lagrangian descriptors
• Dynamics on the double Morse potential: a paradigm for roaming reactions with no saddle points

This page was built for publication: Transport and roaming on the double van der Waals potential energy surface

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2045964)