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Disentangling the mechanistic details of a chemical reaction pathway is a hard problem that often requires a considerable amount of chemical intuition and a component of luck. Experiments struggle in observing short-life metastable…

Chemical Physics · Physics 2019-08-01 Valerio Rizzi , Dan Mendels , Emilia Sicilia , Michele Parrinello

We examine "dynamical similarities" in the Lagrangian framework. These are symmetries of an intrinsically determined physical system under which observables remain unaffected, but the extraneous information is changed. We establish three…

General Relativity and Quantum Cosmology · Physics 2018-07-04 David Sloan

In dynamical systems, it is advantageous to identify regions of flow which can exhibit maximal influence on nearby behaviour. Hyperbolic Lagrangian Coherent Structures have been introduced to obtain two-dimensional surfaces which maximise…

Fluid Dynamics · Physics 2022-07-25 Jack Tyler , Alexander Wittig

A dynamical system framework is used to describe transport processes in plasmas embedded in a magnetic field. For periodic systems with one degree of freedom the Poincar\'e map provides a splitting of the phase space into regions where…

Plasma Physics · Physics 2015-07-28 M. V. Falessi , F. Pegoraro , T. J. Schep

In this paper we demonstrate that the phase space arclength of a trajectory, quantified by the time-averaged Lagrangian descriptor, is a robust and self-contained chaos indicator. By invoking Birkhoff's Ergodic Partition Theorem, we show…

Chaotic Dynamics · Physics 2026-02-10 Javier Jiménez-López , V. J. García-Garrido

We provide a dynamical interpretation of the recently identified `roaming' mechanism for molecular dissociation reactions in terms of geometrical structures in phase space. These are NHIMs (Normally Hyperbolic Invariant Manifolds) and their…

We study the decay scenario of a codimension-2 NHIM in a three degrees of freedom Hamiltonian system under increasing perturbation when the NHIM loses its normal hyperbolicity. On one hand, we follow this decay in the Poincar\'e map for the…

Chaotic Dynamics · Physics 2025-04-03 Francisco Gonzalez Montoya , Christof Jung

Lagrangian coherent structures are effective barriers, sticky regions, that separate phase space regions of different dynamical behavior. The usual way to detect such structures is via finite-time Lyapunov exponents. We show that similar…

Chaotic Dynamics · Physics 2011-02-11 J. D. Szezech , A. B. Schelin , I. L. Caldas , S. R. Lopes , P. J. Morrison , R. L. Viana

In this paper we investigate the Hamiltonian dynamics of a lattice gauge model in three spatial dimension. Our model Hamiltonian is defined on the basis of a continuum version of a duality transformation of a three dimensional Ising model.…

Statistical Mechanics · Physics 2022-02-21 Giulio Pettini , Matteo Gori , Roberto Franzosi , Cecilia Clementi , Marco Pettini

In chemical or physical reaction dynamics, it is essential to distinguish precisely between reactants and products for all time. This task is especially demanding in time-dependent or driven systems because therein the dividing surface (DS)…

Transport and mixing in dynamical systems are important properties for many physical, chemical, biological, and engineering processes. The detection of transport barriers for dynamics with general time dependence is a difficult, but…

Dynamical Systems · Mathematics 2017-08-02 Gary Froyland , Eric Kwok

It has been recently argued that near-integrable nonautonomous one-degree-of-freedom Hamiltonian systems are constrained by KAM theory even when the time-dependent (nonintegrable) part of the Hamiltonian is given in the form of a…

Chaotic Dynamics · Physics 2007-05-23 F. J. Beron-Vera , M. J. Olascoaga , M. G. Brown

How can one fully harness the power of physics encoded in relativistic $N$-body phase space? Topologically, phase space is isomorphic to the product space of a simplex and a hypersphere and can be equipped with explicit coordinates and a…

High Energy Physics - Phenomenology · Physics 2024-08-26 Tianji Cai , Junyi Cheng , Nathaniel Craig , Giacomo Koszegi , Andrew J. Larkoski

Dynamical phase transitions are defined as non-analytic points of the large deviation function of current fluctuations. We show that for boundary driven systems, many dynamical phase transitions can be identified using the geometrical…

Statistical Mechanics · Physics 2017-12-13 Ohad Shpielberg

This paper is devoted to the development of a theoretical and computational framework to efficiently sample the statistically significant thermally activated reaction pathways, in multi-dimensional systems obeying Langevin dynamics. We show…

Statistical Mechanics · Physics 2009-11-13 E. Autieri , P. Faccioli , M. Sega , F. Pederiva , H. Orland

Lagrangian coherent structures (LCSs) are material surfaces that shape finite-time tracer patterns in flows with arbitrary time dependence. Depending on their deformation properties, elliptic and hyperbolic LCSs have been identified from…

Dynamical Systems · Mathematics 2016-11-23 David Oettinger , George Haller

The Cahn-Hilliard equation is a fundamental model for describing phase separation phenomena in binary mixtures. Traditional numerical methods, such as finite difference and finite element methods, often incur substantial computational cost,…

Numerical Analysis · Mathematics 2026-05-26 Yi Liu , Shuting Gu

Complex systems are commonly modeled using nonlinear dynamical systems. These models are often high-dimensional and chaotic. An important goal in studying physical systems through the lens of mathematical models is to determine when the…

Computational Geometry · Computer Science 2014-03-25 Jesse Berwald , Marian Gidea , Mikael Vejdemo-Johansson

Studying high-dimensional Hamiltonian systems with microstructure, it is an important and challenging problem to identify reduced macroscopic models that describe some effective dynamics on large spatial and temporal scales. This paper…

Mathematical Physics · Physics 2008-12-27 Johannes Giannoulis , Michael Herrmann , Alexander Mielke

Trajectory design in highly-perturbed environments like binary asteroids is challenging. It typically requires using realistic, non-autonomous dynamical models in which periodic solutions derived in autonomous systems vanish. In this work,…

Earth and Planetary Astrophysics · Physics 2023-08-02 Sebastiano Raffa , Gianmario Merisio , Francesco Topputo