Using Lagrangian descriptors to uncover invariant structures in Chesnavich's isokinetic model with application to roaming

DOI10.1142/S0218127420500765MaRDI QIDQ5114588zbMATHOpenAlexFDO

Authors Vladimír Krajňák, Gregory S. Ezra, Stephen Wiggins

Publication date 24 June 2020

Published in International Journal of Bifurcation and Chaos in Applied Sciences and Engineering (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1909.05551

zbMATH Keywords

Hamiltonian systeminvariant manifoldsnonholonomic constraintphase space structurereaction dynamicsroamingLagrangian descriptors

Mathematics Subject Classification ID

Simulation of dynamical systems (37M05) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Computational methods for invariant manifolds of dynamical systems (37M21) Computational methods for attractors of dynamical systems (37M22)

Abstract: Complementary to existing applications of Lagrangian descriptors as an exploratory method, we use Lagrangian descriptors to find invariant manifolds in a system where some invariant structures have already been identified. In this case we use the parametrisation of a periodic orbit to construct a Lagrangian descriptor that will be locally minimised on its invariant manifolds. The procedure is applicable (but not limited) to systems with highly unstable periodic orbits, such as the isokinetic Chesnavich CH4+ model subject to a Hamiltonian isokinetic theromostat. Aside from its low computational requirements, the method enables us to study the invariant structures responsible for roaming in the isokinetic Chesnavich CH4+ model.

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Cites work

• A Theoretical Framework for Lagrangian Descriptors
• Detection of Periodic Orbits in Hamiltonian Systems Using Lagrangian Descriptors
• Finding NHIM: identifying high dimensional phase space structures in reaction dynamics using Lagrangian descriptors
• Lagrangian descriptors for stochastic differential equations: a tool for revealing the phase portrait of stochastic dynamical systems
• Roaming at constant kinetic energy: Chesnavich's model and the Hamiltonian isokinetic thermostat
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Cited in

(6)

• Visualizing the phase space of the HeI\(_2\) van der Waals complex using Lagrangian descriptors
• Roaming at constant kinetic energy: Chesnavich's model and the Hamiltonian isokinetic thermostat
• Reactive islands for three degrees-of-freedom Hamiltonian systems
• Unraveling the highly nonlinear dynamics of KCN molecular system using Lagrangian descriptors
• Investigating the stability and accuracy of a classical mapping variable Hamiltonian for nonadiabatic quantum dynamics
• Revealing roaming on the double Morse potential energy surface with Lagrangian descriptors

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