相关论文: Transport and roaming on the Double van der Waals …
In this paper, we analyse the phase space structure of the roaming dynamics in a two degree of freedom potential energy surface consisting of two identical planar Morse potentials separated by a distance. This potential energy surface was…
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.…
In this paper we demonstrate the capability of the method of Lagrangian descriptors to unveil the phase space structures that characterize transport in high-dimensional symplectic maps. In order to illustrate its use, we apply it to a…
In this paper, we explore the dynamics of a Hamiltonian system after a double van der Waals potential energy surface degenerates into a single well. The energy of the system is increased from the bottom of the potential well up to the…
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 study the phase space structures that control the transport in a classical Hamiltonian model for a chemical reaction. This model has been proposed to study the yield of products in an ultracold exothermic reaction. In the considered…
A model Hamiltonian for the reaction CH$_4^+ \rightarrow$ CH$_3^+$ + H, parametrized to exhibit either early or late inner transition states, is employed to investigate the dynamical characteristics of the roaming mechanism. Tight/loose…
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…
In this paper we analyze a two degree of freedom Hamiltonian system constructed from two planar Morse potentials. The resulting potential energy surface has two potential wells surrounded by an unbounded flat region containing no critical…
We formulate an approximate thermodynamic theory of the phase transition in driven lattice gases with attractive nearest-neighbor interactions. We construct the van der Waals equation of state for a driven system where a nonequilibrium…
The motion of overdamped particles in a one-dimensional spatially-periodic potential is considered. The potential is also randomly-fluctuating in time, due to multiplicative colored noise terms, and has a deterministic tilt. Numerical…
The laminar-turbulent boundary S is the set separating initial conditions which relaminarise uneventfully from those which become turbulent. Phase space trajectories on this hypersurface in cylindrical pipe flow look to be chaotic and show…
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…
The escape dynamics in a two-dimensional multiwell potential is explored. A thorough numerical investigation is conducted in several types of two-dimensional planes and also in a three-dimensional subspace of the entire four-dimensional…
We consider issues associated with the Lagrangian characterisation of flow structures arising in aperiodically time-dependent vector fields that are only known on a finite time interval. A major motivation for the consideration of this…
Further thermodynamic investigations into the behaviour of a polar dielectric working fluid under non-equilibrium and negative pressure conditions are reported. The establishment of a long-range van der Waals interaction between clathrate…
The behaviour of a driven double well Duffing-van der Pol (DVP) oscillator for a specific parametric choice ($\mid \alpha \mid =\beta$) is studied. The existence of different attractors in the system parameters ($f-\omega$) domain is…
We analyze with the tools of lobe dynamics the velocity field from a numerical simulation of the surface circulation in the Northwestern Mediterranean Sea. We identify relevant hyperbolic trajectories and their manifolds, and show that the…
We examine the phase space structures that govern reaction dynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic invariant tori it is possible to define phase space dividing…
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…