In the developing field of nonlinear plasmonics, it is important to understand the nonlinear responses of the metallic nanostructures. In the present thesis, rigorous electrodynamical simulations based on the fully vectorial three-dimensional nonlinear hydrodynamic Drude model describing metal coupled to Maxwell's equations are performed to investigate linear and nonlinear responses of the plasmonic materials and their coupling with quantum emitters.The first part of this thesis is devoted to analyzing properties of the localized surface plasmon resonances of metallic nanostructures and their nonlinear optical responses. The behavior of the second harmonic is investigated as a function of various physical parameters at different plasmonic interfaces, revealing highly complex dynamics. By collaborating with several research teams, simulations are proven to be in close agreement with experiments, both quantitative and qualitative. The second part of the thesis explores the strong coupling regime and its influence on the second harmonic generation. Considering plasmonic systems of molecules and periodic nanohole arrays on equal footing in the nonlinear regime is done for the first time. The results obtained are supported by a simple analytical model.

Nanophotonics studies the interaction of light with nanoscale devices and nanostructures. This thesis focuses on developing nanoscale devices for optical modulation (saturable absorber and all-optical modulator) and investigating light scattering from nanoparticles for underwater navigation and energy sector application. Saturable absorbers and all-optical modulators are essential to generate ultrashort high-power laser pulses and high-speed communications. Graphene-based devices are broadband, ultrafast, and compatible with different substrates and fibers. Nevertheless, the required fluence to saturate or modulate the optical signal with graphene is still high to realize low-threshold, compact broadband devices, which are essential for many applications. This dissertation emphasizes that the strong light-matter interaction in graphene-plasmonic hybrid metasurface greatly enhances monolayer graphene’s saturable absorption and optical signal modulation effect while maintaining graphene’s ultrafast carrier dynamics. Furthermore, based on this concept, simulation models and experimental demonstrations are presented in this dissertation to demonstrate both subwavelength (~λ/5 in near-infrared and ~λ/10 in mid-infrared) thick graphene-based saturable absorber (with record-low saturation fluence (~0.1μJ/cm2), and ultrashort recovery time (~60fs) at near-infrared wavelengths) and all-optical modulators ( with 40% reflection modulation at 6.5μm with ~55μJ/cm2 pump fluence and ultrafast relaxation time of ~1ps at 1.56μm with less than 8μJ/cm2 pump fluence). Underwater navigation is essential for various underwater vehicles. However, there is no reliable method for underwater navigation. This dissertation presents a numerical simulation model and algorithm for navigation based on underwater polarization mapping data. With the methods developed, for clear water in the swimming pool, it is possible to achieve a sun position error of 0.35˚ azimuth and 0.03˚ zenith angle, and the corresponding location prediction error is ~23Km. For turbid lake water, a location determination error of ~100Km is achieved. Furthermore, maintenance of heliostat mirrors and receiver tubes is essential for properly operating concentrated solar power (CSP) plants. This dissertation demonstrates a fast and field deployable inspection method to measure the heliostat mirror soiling levels and receiver tube defect detection based on polarization images. Under sunny and clear sky conditions, accurate reflection efficiency (error ~1%) measurement for mirrors with different soiling levels is achieved, and detection of receiver tube defects is demonstrated.

An Exciton is an excited state of an atom that can move between atoms in a lattice, and can be viewed as a quasi-particle. I studied the dynamics of an Exciton wave packet traveling along a line of atoms, and how the medium the wave packet travels in affects said dynamics, via numerical simulation.

In the quark model, meson states consisting of a quark/anti-quark pair must obey Poincaré symmetry. As a result of that symmetry, for meson total angular momentum J, parity P, and charge conjugation symmetry C, states with JPC= 0--, 0+-, 1-+, 2+-, 3-+, 4+-, … should not be observed. A meson observed experimentally with such quantum numbers would indicate a so-called “exotic” meson state. Exotic mesons can be multi-quark states like tetraquarks, a combination of two or more gluons known as glueballs, or a hybrid meson (qqg). Theories have suggested that three possible exotic meson states with the 1-+ quantum number: π1, η1, and η‘1,. However, no conclusive evidence for the existence of these three exotic states has been observed. This research will look for new states that decay to K* K final states with an emphasis on exotic mesons. An analysis of K+ K- π0 final states will be presented, where a restriction on the K - π0 invariant mass yields an unexpected enhancement in the K+ K- π0 spectrum.

Recent improvements in energy resolution for electron energy-loss spectroscopy in the scanning transmission electron microscope (STEM-EELS) allow novel effects in the low-loss region of the electron energy-loss spectrum to be observed. This dissertation explores what new information can be obtained with the combination of meV EELS energy resolution and atomic spatial resolution in the STEM. To set up this up, I review nanoparticle shape effects in the electrostatic approximation and compare the “classical” and “quantum” approaches to EELS simulation. Past the electrostatic approximation, the imaging of waveguide-type modes is modeled in ribbons and cylinders (in “classical" and “quantum" approaches, respectively), showing how the spatial variations of such modes can now be imaged using EELS. Then, returning to the electrostatic approximation, I present microscopic applications of low-loss STEM-EELS. I develop a “classical” model coupling the surface plasmons of a sharp metallic nanoparticle to the dipolar vibrations of an adsorbate molecule, which allows expected molecular signal enhancements to be quantified and the resultant Fano-type asymmetric spectral line shapes to be explained, and I present “quantum” modelling for the charged nitrogen-vacancy (NV-) and neutral silicon-vacancy (SiV0) color centers in diamond, including cross-sections and spectral maps from density functional theory. These results are summarized before concluding.

Many of these results have been previously published in Physical Review B. The main results of Ch. 2 and Ch. 4 were packaged as “Enhanced vibrational electron energy-loss spectroscopy of adsorbate molecules” (99, 104110), and much of Ch. 5 appeared as “Prospects for detecting individual defect centers using spatially resolved electron energy loss spectroscopy” (100, 134103). The results from Ch. 3 are being prepared for a forthcoming article in the Journal of Chemical Physics.

A phenomenon of intense transmission of light has been observed from optical response to subwavelength structures in metal film. Using numerical simulation, an incident plane wave propagates toward a thin film of silver with a subwavelength slit and groove. This thesis explores parameters, such as slit-groove distance, location of placed molecules, and molecule resonance, which affect the transmission of light through the slit. It is shown how the eigenenergies of the system vary with slit-groove distance. Two scenarios were investigated; a) molecules placed inside groove and b) molecules placed inside slit. It is found that the most dramatic effect on transmission by molecules is with molecules inside slit.

The purpose of this study is to understand if there is a demographic variable that predicts science literacy, and if science literacy makes one less likely to believe in pseudoscience. The demographic variables that were tested were age, gender, religion, political affiliation, highest degree completed, field aforementioned degree is in, and industry in which one is employed. Participants were given 40 statements in total and asked to select whether they strongly agree, somewhat agree, neither agree nor disagree, somewhat disagree, and strongly disagree with that given statement. Statements ranged from scientific facts to historical conspiracies, superstitions and myths. All the data was examined as a whole, followed by comparisons between demographic data and statements. Overall, men were more likely to answer science related questions correctly, while women believed more in conspiracies and myths. Although some trends were identified in the other demographic data sets, the beliefs were either too inconsistent or lacked enough data points to be considered significant. Thus, gender was the only demographic that could be used to predict one’s beliefs.

Within the context of the Finite-Difference Time-Domain (FDTD) method of simulating interactions between electromagnetic waves and matter, we adapt a known absorbing boundary condition, the Convolutional Perfectly-Matched Layer (CPML) to a background of Drude-dispersive medium. The purpose of this CPML is to terminate the virtual grid of scattering simulations by absorbing all outgoing radiation. In this thesis, we exposit the method of simulation, establish the Perfectly-Matched Layer as a domain which houses a spatial-coordinate transform to the complex plane, construct the CPML in vacuum, adapt the CPML to the Drude medium, and conclude with tests of the adapted CPML for two different scattering geometries.

The importance of lasing cannot be overstated – from improving medicine through surgery uses and industry through laser cutting and micro-wielding (just to name a few), to the development of laser cooling to isolate the first Bose-Einstein condensate in 1995. Not only do the technological benefits encourage research but, as could probably be deduced, lasers are expensive devices. From Ruby crystals to Rubidium gasses, the materials required to construct lasers can be rare and highly specialized. Since the advancement of computer technology, computational physics has proved exceedingly useful. As a combination of both theoretical and experimental physcis, computational physics proves itself invaluable for allowing the testing of various theories and running of experiments in a time efficient and far less expensive way. For the purpose of this paper, having a clear understanding of the computational lasing system allows for simulations that are incredibly expensive or might not even be possible yet, to be conducted and the groundwork to be laid for future theory, experiment, or product.
The response of a molecular sheet with varying densities of simple, two-level system without lasing due to an ultra-short, wideband pulse centered at 2 eV is first investigated. The Fabry-Pérot modes rising from interference are observed, as well as the expected redshift in the transmission and reflection frequencies in the thin molecular sheet regime. Cautions regarding numerical instability and implementation of the Fast Fourier Transform are discussed. Upon activating the lasing levels of the molecules (creating a four-level system), the transmission and refection responses are measured for four combinations of molecular density and molecular sheet thickness. Lasing threshold and saturation phenomenon are observed and a clear lasing region is seen in the Power input/output analysis.
Population inversion is driving force that triggers lasing through stimulated emission. To investigate this, the populations of each of the four molecular energies levels are tracked for the same combinations of parameters in the previous tests. The population inversions and the threshold/saturation phenomena do not correspond to within reasonable limits. Inspection of the population data reveals a highly varied distribution within the molecular, suggesting that the system does not reach steady-state, and therefore and alternate method of analysis will need to be developed.
Having experimented with the simulations above, both the development of appropriate population analysis framework and the investigation of higher order dimensions (2-D and 3-D) will be pursed.