The present study focuses in the investigation of the diffusion of polar molecules on the structures known as optical lattices (a periodic generalization of optical traps); and in the assessment of the influence of a time dependent electromagnetic field on the motion of molecule. To study this phenomenon, the particle is considered to move under the influence of a one-dimensional potential which reproduces the main characteristics of the optical lattice. Starting from the canonical representation of the electromagnetic field, it has been introduce an equivalence between this field and an ensemble of harmonics oscillators. This allows deriving an effective Langevin equation to describe the motion of the particle interacting with the bath oscillators. We analyze the influence, on the diffusion dynamics, of the parameters which determine the shape of the electromagnetic pulses, which constitutes a key ingredient for the design of optimal fields that enable an efficient control of molecular dynamics.
The present study focuses in the investigation of the diffusion of polar molecules on the structures known as optical lattices (a periodic generalization of optical traps); and in the assessment of the influence of a time dependent electromagnetic field on the motion of molecule. To study this phenomenon, the particle is considered to move under the influence of a one-dimensional potential which reproduces the main characteristics of the optical lattice. Starting from the canonical representation of the electromagnetic field, it has been introduce an equivalence between this field and an ensemble of harmonics oscillators. This allows deriving an effective Langevin equation to describe the motion of the particle interacting with the bath oscillators. We analyze the influence, on the diffusion dynamics, of the parameters which determine the shape of the electromagnetic pulses, which constitutes a key ingredient for the design of optimal fields that enable an efficient control of molecular dynamics.
Optical micro-manipulation techniques has evolved into powerful tools to efficiently steer the motion of microscopical particles on periodic and quasi-periodic potentials, driven by the external electromagnetic field. Here, the dynamics of molecular diffusion on optical lattices is analysed within the framework of the theory of open systems, for polar molecules coupled to a transient electromagnetic field. Using the normal mode expansion of the field, we derive an effective, generalised Langevin equation which describes the motion of the system along the molecular degrees of freedom. The present approach is universally applicable (for molecules with non-vanishing permanent dipole moment) and it opens a wide spectrum of applications in the control of the molecular transport mechanisms on optical lattices. The numerical analysis of suitable model external fields demonstrates the feasibility of neglecting memory terms in the resulting Langevin equation.
We demonstrate the phenomenon of directed diffusion in a symmetric periodic potential. This has been realized with cold atoms in a one-dimensional dissipative optical lattice. The stochastic process of optical pumping leads to a diffusive dynamics of the atoms through the periodic structure, while a zero-mean force which breaks the temporal symmetry of the system is applied by phase modulating one of the lattice beams. The atoms are set into directed motion as a result of the breaking of the temporal symmetry of the system.
This thesis includes both experimental and theoretical investigations of fluctuation-induced transport phenomena, presented in a series of nine papers, by studies of the dynamics of cold atoms in dissipative optical lattices. With standard laser cooling techniques about 108 cesium atoms are accumulated, cooled to a few μK, and transferred into a dissipative optical lattice. An optical lattice is a periodic light-shift potential, and in dissipative optical lattice the light field is sufficiently close to resonance for incoherent light scattering to be of importance. This provides the system with a diffusive force, but also with a friction through laser cooling mechanisms. In the dissipative optical lattices the friction and the diffusive force will eventually reach a steady state. At steady state, the thermal energy is low enough, compared to the potential depth, for the atoms to be localized close to the potential minima, but high enough for the atoms to occasionally make inter-well flights. This leads to a Brownian motion of the atoms in the optical lattices. In the normal case these random walks average to zero, leading to a symmetric, isotropic diffusion of the atoms. If the optical lattices are tilted, the symmetry is broken and the diffusion will be biased. This leads to a fluctuation-induced drift of the atoms. In this thesis an investigation of such drifts, for an optical lattice tilted by the gravitational force, is presented. We show that even though the tilt over a potential period is small compared to the potential depth, it clearly affect the dynamics of the atoms, and despite the complex details of the system it can, to a good approximation, be described by the Langevin equation formalism for a particle in a periodic potential. The linear drifts give evidence of stop-and-go dynamics where the atoms escape the potential wells and travel over one or more wells before being recaptured. Brownian motors open the possibility of creating fluctuation-induced drifts in the absence of bias forces, if two requirements are fulfilled: the symmetry has to be broken and the system has to be brought out of thermal equilibrium. By utilizing two distinguishable optical lattices, with a relative spatial phase and unequal transfer rates between them, these requirements can be fulfilled. In this thesis, such a Brownian motor is realized, and drifts in arbitrary directions in 3D are demonstrated. We also demonstrate a real-time steering of the transport as well as drifts along pre-designed paths. Moreover, we present measurements and discussions of performance characteristics of the motor, and we show that the required asymmetry can be obtained in multiple ways.
We consider the dynamics of rotational excitations placed on a single molecule in spatially disordered one-dimensional (1D), two-dimensional (2D) and three-dimensional (3D) ensembles of ultracold molecules trapped in optical lattices. The disorder arises from incomplete populations of optical lattices with molecules. This leads to a model corresponding to a quantum particle with long-range tunnelling amplitudes moving on a lattice with the same on-site energy but with forbidden access to random sites (vacancies). We examine the time and length scales of Anderson localization for this type of disorder with realistic experimental parameters in the Hamiltonian. We show that for an experimentally realized system of KRb molecules on an optical lattice this type of disorder leads to disorder-induced localization in 1D and 2D systems on a time scale t ∼ 1 s. For 3D lattices with 55 sites in each dimension and vacancy concentration 90%, the rotational excitations diffuse to the edges of the lattice and show no signature of Anderson localization. We examine the role of the long-range tunnelling amplitudes allowing for transfer of rotational excitations between distant lattice sites. Our results show that the long-range tunnelling has little impact on the dynamics in the diffusive regime but affects significantly the localization dynamics in lattices with large concentrations of vacancies, enhancing the width of the localized distributions in 2D lattices by more than a factor of 2.
We consider the dynamics of rotational excitations placed on a single molecule in spatially disordered 1D, 2D and 3D ensembles of ultracold molecules trapped in optical lattices. The disorder arises from incomplete populations of optical lattices with molecules. This leads to a model corresponding to a quantum particle with long-range tunnelling amplitudes moving on a lattice with the same on-site energy but with forbidden access to random sites (vacancies). We examine the time and length scales of Anderson localization for this type of disorder with realistic experimental parameters in the Hamiltonian. We show that for an experimentally realized system of KRb molecules on an optical lattice this type of disorder leads to disorder-induced localization in 1D and 2D systems on a time scale t∼1 sec. For 3D lattices with 55 sites in each dimension and vacancy concentration $ 90~\%$, the rotational excitations diffuse to the edges of the lattice and show no signature of Anderson localization. We examine the role of the long-range tunnelling amplitudes allowing for transfer of rotational excitations between distant lattice sites. Our results show that the long-range tunnelling has little impact on the dynamics in the diffusive regime but affects significantly the localization dynamics in lattices with large concentrations of vacancies, enhancing the width of the localized distributions in 2D lattices by more than a factor of 2. Our results raise a general question whether quantum particles with long-range tunnelling can undergo quantum localization in 3D lattices with substitutional disorder.
Thermostated time evolutions are on a firm ground and widely used in classical molecular dynamics (MD) simulations. Hamilton´s equations of motion are supplemented by time-dependent pseudofriction terms that convert the microcanonical isoenergetic time evolution into a canonical isothermal time evolution, thus permitting the calculation of canonical ensemble averages by time averaging. However, similar methods for quantum MD schemes are still lacking. Given the rich dynamical behavior of ultracold trapped quantum gases depending on the value of the s-wave scattering length, it is timely to investigate how classical thermostating methods can be combined with powerful approximate quantum dynamics schemes to deal with interacting quantum systems at finite temperature. In this work, the popular method of Nose and Hoover to create canonically distributed positions and momenta in classical MD simulations is generalized to a genuine quantum system of infinite dimensionality. We show that for the quantum harmonic oscillator, the equations of motion in terms of coherent states may be modified in a Nose-Hoover manner to mimic the coupling of the system to a thermal bath and create a quantum canonical ensemble. The method is developed initially for a single particle and then generalized to the case of an arbitrary number of identical quantum particles, involving entangled distribution functions. The resulting isothermal equations of motion for bosons and fermions contain additional terms leading to Bose-attraction and Pauli-blocking, respectively. Questions of ergodicity are discussed for different coupling schemes. In the many-particle case, the superiority of the Nose-Hoover technique to a Langevin approach is demonstrated. In addition, the work contains an investigation of the Grilli-Tosatti thermostating method applied to the harmonic oscillator, and calculations for quantum wavefunctions moving with a time-invariant shape in a harmonic potential.