Molecular magneto-optical traps (MOTs) are loaded from cryogenic buffer gas beam (CBGB) sources, which produce a large flux of cold molecules. However, only a small fraction of this flux is slowed and captured. Here, we investigate and optimize one of these CBGB sources through a combination of experiment and simulation to maximize the number of molecules loaded into a MOT of CaF molecules. We experimentally determine the range of molecule velocities from the source that are successfully slowed and captured in the MOT, and perform a systematic study of buffer gas source geometries to identify designs that maximize MOT loading. Our observations agree well with Monte Carlo simulations, which provide physical insight into the dynamics within the source and explain how source geometry influences the subset of molecules that are ultimately trapped. These results provide practical design guidelines for optimizing cryogenic buffer gas beam sources used in laser cooling experiments.
Molecular magneto-optical traps (MOTs) are loaded from cryogenic buffer gas beam (CBGB) sources, which produce a large flux of cold molecules. However, only a small fraction of this flux is slowed and captured. Here, we investigate and optimize one of these CBGB sources through a combination of experiment and simulation to maximize the number of molecules loaded into a MOT of CaF molecules. We experimentally determine the range of molecule velocities from the source that are successfully slowed and captured in the MOT, and perform a systematic study of buffer gas source geometries to identify designs that maximize MOT loading. Our observations agree well with Monte Carlo simulations, which provide physical insight into the dynamics within the source and explain how source geometry influences the subset of molecules that are ultimately trapped. These results provide practical design guidelines for optimizing cryogenic buffer gas beam sources used in laser cooling experiments.
Diatomic molecules are promising systems for quantum science applications due to their complex energy structures and strong dipole-dipole interactions. Achieving ultracold temperatures is essential for these applications, but the complexity of molecular energy levels requires precise optimization of experimental parameters for laser slowing and magneto-optical trapping (MOT). Here, we simulate and optimize the complete process of slowing and trapping MgF molecules, from a buffer-gas beam source to MOT capture, using Bayesian optimization. By combining laser slowing and MOT simulations, we identify parameters that maximize the capture velocity and the ratio of trapped molecules. Our results demonstrate a maximum MOT capture velocity of 82.5 m/s, and 28.6% of the molecules that reach the MOT region are trapped under optimal conditions. These findings provide insights into experimental setups for MgF and similar molecules, offering a framework for advancing molecular laser cooling and quantum experiments.
Direct loading of lanthanide atoms into magneto-optical traps (MOTs) from a very slow cryogenic buffer gas beam source is achieved, without the need for laser slowing. The beam source has an average forward velocity of 60– and a velocity half-width of , which allows for direct MOT loading of Yb, Tm, Er and Ho. Residual helium background gas originating from the beam results in a maximum trap lifetime of about 80 ms (with Yb). The addition of a single-frequency slowing laser applied to the Yb in the buffer gas beam increases the number of trapped Yb atoms to with a loading rate of . Decay to metastable states is observed for all trapped species and decay rates are measured. Extension of this approach to the loading of molecules into a MOT is discussed.
The cryogenic buffer gas beam (CBGB) is an important tool in the study of cold and ultracold molecules.While there are known techniques to enhance desired beam properties of a CBGB, such as high flux, low velocity, or reduced divergence, they have generally not undergone detailed numerical optimization.Numerical simulation of buffer gas beams is challenging, because the relevant dynamics occur in regions where the density varies by orders of magnitude, rendering typical numerical methods unreliable or intractable.Here we simulate CBGBs with a hybrid approach that combines gas dynamics methods with particle tracing.The simulations capture important properties, such as velocitiy and divergence, across an assortment of designs, including two-stage slowing cells and de Laval nozzles.This approach should therefore be a useful tool for optimizing CBGB designs across a wide range of applications.
Laser cooling and trapping in a magneto-optical trap (MOT) have been essential to the success of cold atom physics in the last decades. Recently, the application of the same techniques to molecules has begun. The complexity of even a simple diatomic molecule makes laser cooling difficult, but promises new applications in many areas of research. In this thesis I describe the development of the first three-dimensional MOT of calcium fluoride (CaF) molecules. First, a cryogenic buffer gas source was set up, producing a pulsed beam of 9.3*10^10 molecules per steradian per pulse with forward velocities around 170 m/s. A similar source for very large molecules was set up during a 5 month internship at the University of Vienna. Next, the molecular pulse was slowed down to the capture velocity of a MOT using chirped laser slowing, resulting in about 7*10^5 CaF molecules passing through the typical MOT volume of 1 cm^3 at velocities of 15+-5 m/s. A new deceleration method, called Zeeman-Sisyphus deceleration, was also investigated. In this method molecules move through a spatially varying magnetic field and are optically pumped between low- and high-field seeking states in such as a way that they are always losing kinetic energy. The method promises to deliver more slow molecules because the molecules are guided transversely as they are decelerated. A small prototype was built and the optical pumping step was tested successfully. Finally, 7.6*10^3 CaF molecules were trapped in a MOT and cooled to a temperature of 8.5 mK. The radial trap frequency is 2 pi*130 Hz and the damping constant is beta=9.5*10^2 s^-1. The lifetime is about 100 ms and depends strongly on the scattering rate. This MOT is an an ideal starting point for a wide range of new experiments with ultracold molecules.
We present the properties of a magneto-optical trap (MOT) of CaF molecules. We study the process of loading the MOT from a decelerated buffer-gas-cooled beam, and how best to slow this molecular beam in order to capture the most molecules. We determine how the number of molecules, the photon scattering rate, the oscillation frequency, damping constant, temperature, cloud size and lifetime depend on the key parameters of the MOT, especially the intensity and detuning of the main cooling laser. We compare our results to analytical and numerical models, to the properties of standard atomic MOTs, and to MOTs of SrF molecules. We load up to molecules, and measure a maximum scattering rate of s −1 per molecule, a maximum oscillation frequency of 100 Hz, a maximum damping constant of 500 s −1 , and a minimum MOT rms radius of 1.5 mm. A minimum temperature of 730 μ K is obtained by ramping down the laser intensity to low values. The lifetime, typically about 100 ms, is consistent with a leak out of the cooling cycle with a branching ratio of about . The MOT has a capture velocity of about 11 m s −1 .
Abstract Cryogenic buffer gas beam(CBGB) sources have become an essential tool for experiments requiring cold molecular beams with low forward velocities. Although recent experimental advances have led to significant progress in source optimization, numerical studies remain limited due to the challenges posed by the large parameter ranges required to describe both the dense buffer gas and the dilute seed molecules. In this work, we report a numerical evaluation of CBGB cells operating in the hydrodynamic extraction regime. While most prior studies focused on box-like or cylindrical cells, we investigated hydrodynamic effects including vortex formation in a dome-shaped cell and assessed whether these could be utilized to enhance the performance in molecule cooling and extraction. To achieve this, we performed steady-state slip-flow simulations for helium buffer gas and employed a direct-simulation Monte Carlo diffusion routine to track particle trajectories. We compared the performance of the source across different buffer gas throughputs and injection angles and identified parameter regimes where vortex formation enhances molecule extraction. From the simulations, we extracted experimental observables, which allow these effects to be verified through velocity or time-of-flight measurements on the molecular beam.