Graduate student Dharma Basaula, Department of Physics, University of Connecticut
This dissertation is focused on formulating, testing and validating a finite element method based computational framework for the evaluation and prediction of thermoelectric properties and performance of polycrystalline nanostructured materials and composites at mesoscale. The developed framework includes capabilities for building geometrical models of complex interfacial structures and, with the availability of appropriate input parameters, can be used predictively, providing new avenues for improvement of operational efficiency of nanoengineered thermo- electric materials and composites. The following benchmark problems were investigated on the first stage of this project, progressing from simple to more advanced cases: (a) effective Seebeck effect in a thermocouple; (b) Peltier heating and cooling at a single interface between two materials with different Seebeck coefficients; (c) coupled heat and electrical current transport through an anisotropic polycrystalline material. Excellent agreement with prior experimental or computational results was observed for the cases where such information was available. On the second stage, ‘digital twins’ for the experimental measurements of thermal and electrical conductivities, and Seebeck coefficient in a material sample were developed within the same computational framework, allowing one to evaluate its thermoelectric figure of merit ZT(T). This approach was tested on three popular nanocrystalline thermoelectric systems: n-type Si, n-type Si0.80Ge0.20, and p-type BiSbTe, providing excellent agreement with previously measured values of ZT(T) and highlighting the importance of interfacial properties for making accurate predictions of the material thermoelectric performance and efficiency. Finally, on the third stage, the sensitivity of sample thermoelectric properties and the resulting ZT(T) to variations in the system microstructure, morphology and input material parameters was elucidated.
Graduate student Bochao Xu, DEpartment of Physics, University of Connecticut
Scanning SQUID Investigation of Time-reversal Symmetry Breaking in Exotic Quantum Materials
Spontaneous breaking of time-reversal symmetry in condensed matter systems arises from correlated electronic arrangements leading to various quantum phenomena, such as ferromagnetism, unconventional superconductivity, and topological states of matter. However, these underlying electronic orders are often difficult to detect experimentally if the magnetism associated with the time reversal symmetry breaking is weak. In such cases, the subtle magnetization and complex domain structure call for investigation by experimental techniques with both high magnetic sensitivity and high spatial resolution. In this dissertation talk, I will discuss my exploration of time-reversal symmetry breaking in two systems: a magnetic Weyl semimetal and a Kagome material detected using scanning superconducting quantum interference device (SQUID) microscopy. Both materials exhibit intriguing magnetic structures which were not detectable by the bulk measurements. We show that the Weyl semimetal hosts a tunable heterogeneous domain structure that is likely linked to its unconventional electronic properties. Additionally, our local probe reveals a ferromagnetic-like state in the Kagome material system, contributing evidence to the highly controversial problem within the community regarding the existence of time-reversal symmetry breaking and its underlying mechanism in this material. These results highlight the significance of quantum sensing in advancing the frontier of new correlated materials, and showcase these materials as an ideal playground for studying the magnetism-electrons interplay.
Graduate student Hanzhen Ma, Department of Physics, University of Connecticut
Cooperative radiation has been a long-standing open question in many-body physics. The dipole-dipole interaction between the atoms gives rise to the all-to-all coupling, and can lead to novel collective phenomena. In this talk, I will introduce an integrated method for studying cooperative radiation in many-body systems. This method allows us to study extended systems with arbitrarily large number of particles, and can be formulated by an effective, nonlinear, two-atom master equation that describes the dynamics using a closed form. We apply this method to various systems to demonstrate the appearance of superradiance, subradiance, collective Lamb shift, spin-squeezing and so on. We investigate how the properties of radiation depend on system parameters such as the optical depth and geometry of the system.
Graduate Student Jonathan Smucker, Department of Physics, University of Connecticut
Charge Transfer Collisions Involving Nano-Particles or Large Molecules
Charge transfer has been a popular field of study since the advent of quantum mechanics due to its applications to astrophysics, plasma physics, atmospheric science, chemistry, and fundamental physics. Various experimental and theoretical studies have been developed for charge transfer in atom-ion collisions and the process is generally considered well-understood in these systems. However, the models developed for atom-ion collisions are not sufficient to explain charge transfer processes in systems with large molecules, such as fullerenes. The added degrees of freedom in these more complex systems bring many theoretical complications but also many opportunities to explore new types of charge transfer. In this dissertation talk, I will present several models that we have developed to explain different charge transfer processes involving fullerenes. These models are the first to accurately predict many existing experimentally measured charge transfer cross-sections.