We develop a classical density functional for water which combines the White Bear fundamental-measure theory (FMT) functional for the hard sphere fluid with attractive interactions based on the statistical associating fluid theory variable range (SAFT-VR). This functional reproduces the properties of water at both long and short length scales over...
PN junctions in nanoscale materials are of interest for a range of technologies including photodetectors, solar cells, and light-emitting diodes. However, Schottky barriers at the interface between metal contacts and the nanomaterial are often unavoidable. The effect of metal-semiconductor interfaces on the behavior of nanoscale diodes must be understood, both...
- Collagen fibers are found in 25% of the whole body
protein content. They are highly adhesive to cells and
can be used as scaffold proteins that can promote cell
growth and be used to capture cells.
- In our lab, we use collagen to capture cancer cells in
order...
We developed an integration-based line detection algorithm. Existing line detection methods such as the Hough Transformation (HT) and its variants are insensitive to image noise. The reason is that HT finds lines by calculating the gradient of the image and assumes that the region where the gradient is the steepest...
We developed an integration-based line detection algorithm. Existing line detection methods such as the Hough Transformation (HT) and its variants are insensitive to image noise. The reason is that HT finds lines by calculating the gradient of the image and assumes that the region where the gradient is the steepest...
We study an Ising chain undergoing a quantum phase transition in a quantum magnetic field. Such a field can be emulated by coupling the chain to a central spin initially in a superposition state. We show that - by adiabatically driving such a system - one can prepare a quantum...
The calculation of interplanetary trajectories is a numeric problem which requires a high degree
of precision for the results to be accurate. A computer program was written for this project which
uses leapfrog integration combined with Newton’s method of iterative root finding to find ideal
interplanetary trajectories. Reasonable initial conditions...
The process of de-excitation of the actinides is a very important question in both pure and applied science. In this dissertation the process was studied using the neutrons emitted in coincidence with fission induced by the bombardment of ²³⁸U with 14.85 MeV deuterons. Neutrons can be emitted at multiple stages...
We measure the charging and discharging of two organic materials, PCBM and ADT-TES-F. These materials are studied through the noncontact method of particle trapping known as Optical Tweezers, where an IR laser is used to constrain the motion of a coated or noncoated silica sphere while its positional data is...
Structure-specific synthesis processes are of key importance to the growth of polymorphic functional compounds such as TiO₂, where material properties strongly depend on structure as well as chemistry. The robust growth of the brookite polymorph of TiO₂, a promising photocatalyst, has been difficult in both powder and thin-film forms due...
Several studies in recent years have demonstrated that upper-division students struggle with partial derivatives
and the complicated chain rules ubiquitous in thermodynamics. We asked several experts (primarily faculty who teach
thermodynamics) to solve a challenging and novel thermodynamics problem in order to understand how they navigate through
this maze. What...
Quantum mechanics provides a conventional theory of scattering that is limited in
at least two ways: it focuses exclusively on the asymptotic regime and, in a more general
sense characteristic of all quantum descriptions, provides no concrete account of individual
particle evolution in spacetime. This is particularly true during the...
We developed a model to investigate the dielectric properties of the
BaTiO₃ − Bi(Zn₁/₂Ti₁/₂)O₃ (BT-BZT) solid solution, which is a relaxor ferroelectric and exhibits long range disorder. The model uses ab initio methods
to determine all polarization states for every atomic configuration of 2 x 2 x 2
supercells of...
The relationship between the index of refraction and the porosity of a material is that the index decreases with respect to the porosity. This property can be used to change the index of refraction of films which allows control of the reflection of the material. This is important because being...
The development and some applications of holographic optical tweezers (HOT) are presented. Our HOT system uses a spatial light modulator (SLM) to control the location and properties of the optical trap. We have developed a method for optimizing the diffraction efficiency of a SLM that can be applied in situ...
BaCuChF (Ch = S, Se, Te) materials are chalcogen-based transparent conductors with wide optical band gaps (2.9 – 3.5 eV) and a high concentration of free holes (10¹⁸ – 10²⁰ cm⁻³) caused by the presence of copper vacancies. Chalcogen vacancies compensate copper vacancies in these materials, setting the Fermi level...
In situ photoemission spectroscopy experiments are used to characterize the interface between ZnTe and the wide band gap p-type semiconductor BaCuSeF. The contact is characterized by a null valence-band offset, a large conduction-band offset, and a chemically graded interface. By applying the transitivity rule for band offset and on the...
SnS is a potential earth-abundant photovoltaic (PV) material. Employing both theory and experiment to assess the PV relevant properties of SnS, we clarify on whether SnS has an indirect or direct band gap and what is the minority carrier effective mass as a function of the film orientation. SnS has...
A method for determining bandgap energy using diffuse reflection is presented. The method uses bifurcated fiber optic cables to measure the diffuse reflection of diffusely reflective materials. The absorption spectrum is extrapolated from the diffuse reflection spectrum and used to determine the bandgap of powdered materials. The theory of nonspecular...
Computational simulations of disks are becoming an important tool to predict the the evolution of protostars and disks to better understand the formation of planets. Past research has shown that the evolution of disks and their protostar can be altered through the interaction between gravity and hydrodynamic instabilities. We perform...
The ability to focus light through strongly scattering materials is opening up exciting new avenues in many fields, such as optics, computer vision, biology, and medicine, which utilize light delivery and imaging techniques. Efficient, high resolution wavefront shaping and optimization methods are crucial to enabling this new capability.
In this...
Using the microcanonical picture of transport-a framework ideally suited to describe the dynamics of closed quantum systems such as ultracold atom experiments-we show that the exact dynamics of noninteracting fermions and bosons exhibits very different transport properties when the system is set out of equilibrium by removing the particles from...
An apparatus and method for calibrating planar laser induced fluorescence using a two-dye, two-color method was developed. A laser sheet was expanded from a 473 nm laser to excite dye solutions into higher energy states then fluoresced through spontaneous emission. The two fluorescent dyes selected for research and development were...
This dissertation explores the engineering of carbon nanotube electronic devices using atomic force microscopy (AFM) based techniques. A possible application for such devices is an electronic interface with individual biological molecules. This single molecule biosensing application is explored both experimentally and with computational modeling.
Scanning probe microscopy techniques, such as...
I investigate the feasibility of a micron-sized biosensor designed to measure neural activity. The circuitry of the biosensor is composed of graphene, some photodiodes, and a light-emitting diode. Many of these biosensors would be injected into a subject’s brain, and when powered by near-infrared light, they would glow in response...
TiO₂ typically crystallizes into three polymorphs: brookite, rutile, and anatase. The phase selection problem in TiO₂ is the lack of understanding what conditions cause amorphous TiO₂ to crystallize into one of its three polymorphs during an annealing process. It has been recently shown that phase selection in TiO₂ is highly...
We present a model that describes nanosecond (ns) time-scale photocurrent dynamics in functionalized anthradithiophene (ADT) films and ADT-based donor-acceptor (D/A) composites. By fitting numerically simulated photocurrents to experimental data, we quantify contributions of multiple pathways of charge carrier photogeneration to the photocurrent, as well as extract parameters that characterize charge...
A great variety of topologically protected defects exist in ordinary and exotic states of matter. Some of them are promising candidates for technological applications such as magnetic memory or quantum computers. Others possess some properties of elementary particles that could lead to potential applications in quantum fields. Nematic liquid crystals...
This research specifically examines the collective motion of populations of MDA-MB-231 breast cancer cells under the influence of a chemo-attractant gradient. Their motion is compared to the mathematical model of a persistent random walk, measuring the persistence bias of the cells from their autocorrelation function and applying to the mean...
Detection of biomolecules is important for the diagnosis and treatment of diseases. Low concentration detection, specific biomolecule detection, and point-of-care use are appealing characteristics for biosensors because of the possibility of early detection and quick results of specific biomolecules. Furthermore, inexpensive biosensors are appealing so that they are accessible to...
The sum of the Holevo quantity (that bounds the capacity of quantum channels to transmit classical information about an observable) and the quantum discord (a measure of the quantumness of correlations of that observable) yields an observable-independent total given by the quantum mutual information. This split naturally delineates information about...
Carbon nanotubes are the subject of intense interest in virtually every field, from medicine to
nano-scale electrical components. Multi-walled nanotubes exhibit a strong nonlinear response
to high-field strength terahertz radiation. This research uses terahertz pulses with field strength
exceeding 1 MV/cm generated by means of optical rectification utilizing a lithium...
Carbon nanotubes are the subject of intense interest in virtually every field, from medicine to nano-scale electrical components. Multi-walled nanotubes exhibit a strong nonlinear response to high-field strength terahertz radiation. This research uses terahertz pulses with field strength exceeding 1 MV/cm generated by means of optical rectification utilizing a lithium...
The current model for gamma ray bursts (GRBs) assumes that internal shocks are responsible for the emission of gamma-rays. Internal shocks occur when the fast expanding shell collides with the slowly expanding shells. The light curve of a GRB depends on the initial state and the expanding speed of the...
This dissertation concerns several problems in the fields of light interaction with nanostructured media, metamaterials, and plasmonics. We present a technique capable of extending operational bandwidth of hyperbolic metamaterials based on interleaved highly-doped InGaAs and undoped AlInAs multilayer stacks. The experimental results confirm theoretical predictions, exhibiting broadband negative refraction response...
Crystal morphology and dimensionality of single-crystal semiconducting materials can have dramatic effects on the optical and electrical properties. Organic photovoltaic (OPV) materials and fluorinated graphene folds are two materials that show these dependencies. Anthradithiophene (ADT), is an OPV that can be functionalized with different side groups to form different crystal...
Native point defects, defect complexes, and oxygen impurities in BaCuChF were studied using density
functional theory calculations, self-consistent thermodynamic simulations, and various experimental techniques.
Unintentional p-type conductivity in BaCuChF is explained by the presence of copper vacancies with
transition levels in the valence band. These acceptor-like defects are partially compensated...
Ion channels play a key role in regulating cell behavior and in electrical signaling. In these settings, polar and charged functional groups, as well as protein response, compensate for dehydration in an ion-dependent way, giving rise to the ion selective transport critical to the operation of cells. Dehydration, though, yields...
Gamma ray bursts are some of the brightest events in the entire observable universe. Since the late 1960’s, thousands of gamma ray bursts have been observed and they have been researched extensively. However, there are still many mysteries which remain unsolved. One such mystery is whether or not the viewing...
The scattering of optical rays by small spherical particles bears a strong resemblance to the
diffusion of fission neutrons in solid materials. This work explores the feasibility of
exploiting similarities between these two systems for the purposes of reactor component analysis, education, and outreach. After a brief overview of reactor-environment...
A small eddy viscosity or mass diffusivity that varies with height has been found to have unexpected effects on the Kelvin-Helmholtz (KH) instability of a stably stratified shear layer near the neutral stability boundary. In particular, varying viscosity can increase the growth rate of the instability in contrast to the...
Exciton polaritons are quasiparticles composed of a quantum superposition of matter and light states that arises from the coupling of a standing wave photon and an exciton. This research has two primary objectives: to design and fabricate a Fabry-Perot microcavity system in which to produce exciton polaritons; and to show...
This work entails both imaging and therapeutic applications of biomedical optics. In both contexts, an understanding of light transport in tissues is necessary. An overview of optical transport in tissues is given, including scattering theory. Digital Fourier holographic microscopy is introduced and applied as a means of metrology via optical...
We examine a discrete-time quantum walk with two-step memory for a particle on a one-
dimensional infinite space. The walk is defined with a four-state memory space analogous to the
two-state coin space commonly used in discrete time quantum walks, and a method is presented
for calculating the time evolution...
One of the newer and rapidly developing approaches in quantum computing is based on "quantum walks," which are quantum processes on discrete space that evolve in either discrete or continuous time and are characterized by mixing of components at each step. The idea emerged in analogy with the classical random...
We achieve a series of distinct broadband third-harmonic generation (THG) signals at the amorphous glass–air interface attributed to third-order and cascaded third-order nonlinear processes. A novel THG laser sideband arises
from cascaded interaction between fundamental pulses and the cascaded four-wave mixing signals. The spatially
separated THG sidebands with distinct spectral...
Aging is known to be affected by many factors such as nutrition and exercise, and more studies are needed to understand the mechanisms of aging. Aging in flies shows many similarities with humans; therefore we study mechanisms of aging in flies as a model organism. Studying aging in flies requires...
The dynein molecule is a peculiar motor protein recognized for its unique stepping behavior. Sometimes it steps forwards. Other times it steps backwards. It has even been observed to occasionally shuffle by beginning a step with the same domain many times in row. These motions make dynein an interesting object...
We study the late-time (t > 0.5 days) X-ray afterglows of nearby (z < 0.5) long gamma-ray bursts (GRBs) with Swift and identify a population of explosions with slowly decaying, super-soft (photon index Γx > 3) X-ray
emission that is inconsistent with forward shock synchrotron radiation associated with the afterglow....
Hall measurements can be made on the unstudied alloy, Sn₁-ₓCaₓSe to determine its electrical transport properties. The Sn₁-ₓCaₓSe samples were made by laser deposition into thin films and have a variable of calcium concentration x. These samples are approximately 250 nm in thickness, were grown at 366° C and are...