Abstract A model of rotational potential that represents an analog of the pseudopotential for localization of a model of diatomic particle with rigid bond in a plane quadrupole radio-frequency trap is considered. It is shown that the effective rotational potential can be used to describe dynamics of various diatomic particles with different centers of mass and charges. Comparison of the model of pseudopotential for localization of a single ion and the proposed model of the effective rotational potential for diatomic structure is used to determine additional positions of quasi-equilibrium for the center of mass of the diatomic particle and orientation angle of the molecule. Additional positions of quasi-equilibrium substantially affect dynamics of charged structure localized in the field of a plane quadrupole ion trap.
Abstract A model of rotational potential that represents an analog of the pseudopotential for localization of a model of diatomic particle with rigid bond in a plane quadrupole radio-frequency trap is considered. It is shown that the effective rotational potential can be used to describe dynamics of various diatomic particles with different centers of mass and charges. Comparison of the model of pseudopotential for localization of a single ion and the proposed model of the effective rotational potential for diatomic structure is used to determine additional positions of quasi-equilibrium for the center of mass of the diatomic particle and orientation angle of the molecule. Additional positions of quasi-equilibrium substantially affect dynamics of charged structure localized in the field of a plane quadrupole ion trap.
We present models for a heteronuclear diatomic molecular ion in a linear Paul trap in a rigid-rotor approximation, one purely classical and the other where the center-of-mass motion is treated classically, while rotational motion is quantized. We study the rotational dynamics and their influence on the motion of the center-of-mass, in the presence of the coupling between the permanent dipole moment of the ion and the trapping electric field. We show that the presence of the permanent dipole moment affects the trajectory of the ion and that it departs from the Mathieu equation solution found for atomic ions. For the case of quantum rotations, we also evidence the effect of the above-mentioned coupling on the rotational states of the ion.
We discuss a radio-frequency (rf) ion trap, the rotating-radio-frequency (rotating-rf) trap, in which the motion of a charged particle is described by trigonometric functions rather than the usual Mathieu functions of a normal rf trap. In the rotating-rf trap, a rotating quadrupole electric field confines charged particles, whereas in a normal rf trap, an oscillating quadrupole electric field does. Ion motion in a rotating-rf trap is a superposition of two nondegenerate circular secular motions and two corresponding circular micromotions. The cases of applying a uniform dc magnetic field or a quadrupole dc electric field in addition to the rotating-rf field are also discussed. Confinement in a rotating-rf trap can be tighter than in a normal linear rf trap with the same experimental parameter values.
We discuss a radio-frequency (rf) ion trap, the rotating-radio-frequency (rotating-rf) trap, in which the motion of a charged particle is described by trigonometric functions rather than the usual Mathieu functions of a normal rf trap. In the rotating-rf trap, a rotating quadrupole electric field confines charged particles, whereas in a normal rf trap, an oscillating quadrupole electric field does. Ion motion in a rotating-rf trap is a superposition of two nondegenerate circular secular motions and two corresponding circular micromotions. The cases of applying a uniform dc magnetic field or a quadrupole dc electric field in addition to the rotating-rf field are also discussed. Confinement in a rotating-rf trap can be tighter than in a normal linear rf trap with the same experimental parameter values.
This thesis explores the dynamics of a heteronuclear diatomic molecular ion, possessing a permanent electric dipole moment, µ, which is trapped in a linear Paul trap and can interact with an off-resonance laser field. To build our model we use the rigid-rotor approximation, where the dynamics of the molecular ion are limited to its translational and rotational motions of the center-of-mass. These dynamics are investigated by carrying out suitable numerical calculations. To introduce our numerical methods, we divide our research topic into two different subjects. First, we ignore the rotational dynamics of the ion by assuming µ = 0. By this assumption, the system resembles an atomic ion, which mainly exhibits translational motion for its center of the mass when exposed to an external trapping field. To study this translational behavior, we implement full-quantum numerical simulations, in which a wave function is attributed to the ion. Finally, we study the quantum dynamics of the mentioned wave packet and we compare our results with those obtained classically. In the latter case, we keep the permanent dipole moment of the ion and we study the probable effects of the interaction between the dipole moment and the trapping electric field, on both the translational and the rotational dynamics of the trapped molecular ion. In order to study these dynamics, we implement both classical and semi-classical numerical simulations. In the classical method, the rotational and the translational motions of the center of mass of the ion are obtained via classical equations of motion. On the other hand, in the semi-classical method, while the translational motion of the center-of-mass is still obtained classically, the rotation is treated full-quantum mechanically by considering the rotational wave function of the ion. In the semi-classical approach, we mainly study the probable couplings between the rotational states of the molecular ion, due to the interaction of the permanent dipole moment with the trapping electric field. In the end, we also present a semi-classical model, where the trapped molecular ion interacts with an off-resonance laser field.
We study the translational motions of homonuclear diatomic molecules prepared in their 3Σ electronic states, deeply bound vibrational states, and rotational states of well-defined parity. The trapping potential arises due to the interaction of the total spin of electrons and orbital angular momentum of nuclei with the trap's quadrupole magnetic field. The translational motion of a molecule is treated classically. We examine the Hamilton equations that govern the center-of-mass dynamics both numerically and analytically. Using data of a hydrogen molecule at the ground vibrational state, we present global dynamics using the Poincaré section method and various types of trajectories: periodic, quasiperiodic, and chaotic. We prove that the Hamiltonian system governing this motion is non-integrable. The particle's orbits are confined to a bound region of space that grows with energy, but for small energies (<1.8 K), the motion is restricted to a processing chamber (a few centimeters). Solutions of equations of motion occurring on the symmetry axis and the horizontal plane are expressed in terms of Jacobi elliptic functions.
We analyze the possibility of cooling ions with a single laser beam, due to the coupling between the three components of their motion induced by the Coulomb interaction. For this purpose, we numerically study the dynamics of ion clouds of up to 140 particles, trapped in a linear quadrupole potential and cooled with a laser beam propagating in the radial plane. We use molecular dynamics simulations and model the laser cooling by a stochastic process. For each component of the motion, we systematically study the dependence of the temperature on the anisotropy of the trapping potential. Results obtained using the full radio-frequency (rf) potential are compared to those of the corresponding pseudopotential. In the rf case, the rotation symmetry of the potential has to be broken to keep ions inside the trap. Then, as for the pseudopotential case, we show that the efficiency of the Coulomb coupling to thermalize the components of motion depends on the geometrical configuration of the cloud. Coulomb coupling appears to be not efficient when the ions organize as a line or a pancake and the three components of motion reach the same temperature only if the cloud extends in three dimensions.