Related papers: Phase Space Structure and Transport in a Caldera P…
In this paper we unveil the geometrical template of phase space structures that governs transport in a Hamiltonian system described by a potential energy surface with an entrance/exit channel and two wells separated by an index-1 saddle.…
We apply the method of Lagrangian Descriptors (LDs) to a symmetric Caldera-type potential energy surface which has three index-1 saddles surrounding a relatively flat region that contains no minimum. Using this method we show the phase…
Dynamical matching occurs in a variety of important organic chemical reactions. It is observed to be a result of a potential energy surface (PES) having specific geometric features. In particular, a region of relative flatness where…
In this paper we continue our studies of the two dimensional caldera potential energy surface in a parametrized family that allows for a study of the effect of symmetry on the phase space structures that govern how trajectories enter,…
We study the phase space geometry associated with index 2 saddles of a potential energy surface and its influence on reaction dynamics for $n$ degree-of-freedom (DoF) Hamiltonian systems. For index 1 saddles of potential energy surfaces…
Chemical selectivity is a phenomenon displayed by potential energy surfaces (PES) that is relevant for many organic chemical reactions whose PES feature a valley-ridge inflection point (VRI) in the region between two sequential index-1…
We review recent results on the potential energy landscape (PES) of model liquids. The role of saddle-points in the PES in connecting dynamics to statics is investigated, confirming that a change between minima-dominated and…
Escape from a potential well through an index-1 saddle can be widely found in some important physical systems. Knowing the criteria and phase space geometry that govern escape events plays an important role in making use of such phenomenon,…
Plenty of saddles on a multidimensional potential energy surface(PES) of two-dimensional microclusters, where atoms are interacting via Morse potential, are numerically located. The reaction paths emanating from the two types of the local…
Pendulums are simple mechanical systems that have been studied for centuries and exhibit many aspects of modern dynamical systems theory. In particular, the double pendulum is a prototypical chaotic system that is frequently used to…
We critically analyze the possibility of finding signatures of a phase transition by looking exclusively at static quantities of statistical systems, like e.g., the topology of potential energy sub-manifolds (PES). This topological…
In this paper we continue our studies of the phase space geometry and dynamics associated with index k saddles (k > 1) of the potential energy surface. Using normal form theory, we give an explicit formula for a "dividing surface" in phase…
The goal of this paper is to apply the method of Lagrangian descriptors to reveal the phase space mechanism by which a Caldera-type potential energy surface (PES) exhibits the dynamical matching phenomenon. Using this technique, we can…
We derive a two-dimensional symplectic map for particle motion at the plasma edge by modeling the electrostatic potential as a superposition of integer spatial harmonics with relative phase shift, then reduce it to a two-wave model to study…
We investigate phase space transport in a two-dimensional stretched caldera potential using the Origin-Fate Map (OFM) framework, complemented by Lagrangian Descriptor (LD) analysis. The caldera potential, a model for reaction dynamics with…
In this paper we explore the phase space structures governing isomerization dynamics on a potential energy surface with four wells and an index-2 saddle. For this model, we analyze the influence that coupling both degrees of freedom of the…
We used for the first time the method of periodic orbit dividing surfaces in a non-integrable Hamiltonian system with three degrees of freedom. We have studied the structure of these four dimensional objects in the five dimensional phase…
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…
We report a detailed study of the stationary points (zero-force points) of the potential energy surface (PES) of a model structural glassformer. We compare stationary points found with two different algorithms (eigenvector following and…
In four-dimensional symplectic maps complex instability of periodic orbits is possible, which cannot occur in the two-dimensional case. We investigate the transition from stable to complex unstable dynamics of a fixed point under parameter…