Ana I. Pascual

Bifurcations of dividing surfaces in chemical reactions.

We study the dynamical behavior of the unstable periodic orbit (NHIM) associated to the non-return transition state (TS) of the H(2) + H collinear exchange reaction and their effects on the reaction probability. By means of the normal form of the Hamiltonian in the vicinity of the phase space saddle point, we obtain explicit expressions of the dynamical structures that rule the reaction. Taking advantage of the straightforward identification of the TS in normal form coordinates, we calculate the reaction probability as a function of the system energy in a more efficient way than the standard Monte Carlo method. The reaction probability values computed by both methods are not in agreement for high energies. We study by numerical continuation the bifurcations experienced by the NHIM as the energy increases. We find that the occurrence of new periodic orbits emanated from these bifurcations prevents the existence of a unique non-return TS, so that for high energies, the transition state theory cannot be longer applied to calculate the reaction probability.

On the Stability of Equilibria in Two-Degrees-of- Freedom Hamiltonian Systems Under Resonances

AbstractWe consider the problem of stability of equilibrium points in Hamiltonian systems of two degrees of freedom under resonances. Determining the stability or instability is based on a geometrical criterion based on how two surfaces, related with the normal form, intersect one another. The equivalence of this criterion with a result of Cabral and Meyer is proved. With this geometrical procedure, the hypothesis may be extended to more general cases.

Perturbed ion traps: A generalization of the three-dimensional Hénon–Heiles problem

This paper presents an analytical study of an axially symmetric perturbation of the Penning trap. This system is modeled as a generalization of the three-dimensional (3D) Henon-Heiles potential. Thus, the same techniques which succeeded in the study of the 3D Henon-Heiles system apply here. The departure Hamiltonian is three dimensional, although it possesses an axial symmetry. This property, together with an averaging process, is used to reduce the original system to an integrable one. We study the flow of the reduced Hamiltonian: equilibria, bifurcations, and stability, extracting thereafter the relevant information about the dynamics of the original problem. (c) 2002 American Institute of Physics.

Stability of the permanent rotations of an asymmetric gyrostat in a uniform Newtonian field

The stability of the permanent rotations of a heavy gyrostat is analyzed by means of the Energy-Casimir method. Sufficient and necessary conditions are established for some of the permanent rotations. The geometry of the gyrostat and the value of the gyrostatic moment are relevant in order to get stable permanent rotations. Moreover, the necessary conditions are also sufficient, for some configurations of the gyrostat.

Lyapunov stability for a generalized Hénon-Heiles system in a rotating reference frame

In this paper we focus on a generalized Henon-Heiles system in a rotating reference frame, in such a way that Lagrangian-like equilibrium points appear. Our goal is to study their nonlinear stability properties to better understand the dynamics around these points. We show the conditions on the free parameters to have stability and we prove the superstable character of the origin for the classical case; it is a stable equilibrium point regardless of the frequency value of the rotating frame.

Rydberg hydrogen atom near a metallic surface : Stark regime and ionization dynamics

We investigate the classical dynamics of a hydrogen atom near a metallic surface in the presence of a uniform electric field. To describe the atom-surface interaction we use a simple electrostatic image model. Owing to the axial symmetry of the system, the z-component of the canonical angular momentum P{sub {phi}} is an integral and the electronic dynamics is modeled by a two degrees of freedom Hamiltonian in cylindrical coordinates. The structure and evolution of the phase space as a function of the electric field strength is explored extensively by means of numerical techniques of continuation of families of periodic orbits and Poincare surfaces of section. We find that, due to the presence of the electric field, the atom is strongly polarized through two consecutive pitchfork bifurcations that strongly change the phase space structure. Finally, by means of the phase space transition state theory and the classical spectral theorem, the ionization dynamics of the atom is studied.

On the Stability of a Class of Permanent Rotations of a Heavy Asymmetric Gyrostat

We consider the motion of an asymmetric gyrostat under the attraction of a uniform Newtonian field. It is supposed that the center of mass lies along one of the principal axes of inertia, while a rotor spins around a different axis of inertia. For this problem, we obtain the possible permanent rotations, that is, the equilibria of the system. The Lyapunov stability of these permanent rotations is analyzed by means of the Energy–Casimir method and necessary and sufficient conditions are derived, proving that there exist permanent stable rotations when the gyrostat is oriented in any direction of the space. The geometry of the gyrostat and the value of the gyrostatic momentum are relevant in order to get stable permanent rotations. Moreover, it seems that the necessary conditions are also sufficient, but this fact can only be proved partially.

Determination of nonlinear stability for low order resonances by a geometric criterion

We consider the problem of stability of equilibrium points in Hamiltonian systems of two degrees of freedom under low order resonances. For resonances of order bigger than two there are several results giving stability conditions, in particular one based on the geometry of the phase flow and a set of invariants. In this paper we show that this geometric criterion is still valid for low order resonances, that is, resonances of order two and resonances of order one. This approach provides necessary stability conditions for both the semisimple and non-semisimple cases, with an appropriate choice of invariants.