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In this thesis a new method based on the Tight-Binding Linear Muffin Tin Orbital (TB-LMTO) formalism and the Quasiparticle Self-consistent GW (QSGW) approximation is proposed. The method is capable of generating accurate electronic bands structure of large supercells necessary to model alloys structures. The strategy consist in building simple and

In this thesis a new method based on the Tight-Binding Linear Muffin Tin Orbital (TB-LMTO) formalism and the Quasiparticle Self-consistent GW (QSGW) approximation is proposed. The method is capable of generating accurate electronic bands structure of large supercells necessary to model alloys structures. The strategy consist in building simple and small hamiltonian from linear Muffin-tin-orbitals (LMTO). Parameters in this hamiltonian are then used to fit the difference in QSGW self-energies and LDA exchange-correlation potentials. The parameter are assumed to transfer to new environments --- a procedure we check carefully by comparing our predicted band to QSGW bands for small supercells. The method possess both the accuracy of the QSGW approximation, (which is the most reliable way to determine energy bands accurately, and yet too expensive for the large supercells required here), and the efficiency of the TB-LMTO method. The accurate and highly efficient hamiltonian is used to predict the electronic and optical transitions of Si1-xGex alloys and SnxSiyGe1-x-y alloys. The goal is to engineer direct band gap material compatible with the silicon technology. The results obtained are compared to available experimental data.
ContributorsDonfack, Hermann Azemtsa (Author) / Van Schilfgaarde, Mark (Thesis advisor) / Dow, John D. (Thesis advisor) / Ponce, Fernando (Committee member) / Ritchie, Barry (Committee member) / Chamberlin, Ralph (Committee member) / Arizona State University (Publisher)
Created2011
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Description
We develop the mathematical tools necessary to describe the interaction between a resonant pole and a threshold energy. Using these tools, we analyze the properties an opening threshold has on the resonant pole mass (the "cusp effect"), leading to an effect called "pole-dragging." We consider two models for resonances: a

We develop the mathematical tools necessary to describe the interaction between a resonant pole and a threshold energy. Using these tools, we analyze the properties an opening threshold has on the resonant pole mass (the "cusp effect"), leading to an effect called "pole-dragging." We consider two models for resonances: a molecular, mesonic model, and a color-nonsinglet diquark plus antidiquark model. Then, we compare the pole-dragging effect due to these models on the masses of the f0(980), the X(3872), and the Zb(10610) and compare the effect's magnitude. We find that, while for lower masses, such as the f 0 (980), the pole-dragging effect that arises from the molecular model is more significant, the diquark model's pole-dragging effect becomes dominant at higher masses such as those of the X(3872) and the Z b (10610). This indicates that for lower threshold energies, diquark models may have less significant effects on predicted resonant masses than mesonic models, but for higher threshold energies, it is necessary to include the pole-dragging effect due to a diquark threshold in high-precision QCD calculations.
ContributorsBlitz, Samuel Harris (Author) / Richard, Lebed (Thesis director) / Comfort, Joseph (Committee member) / School of Mathematical and Statistical Sciences (Contributor) / Department of Physics (Contributor) / Barrett, The Honors College (Contributor)
Created2015-05
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Description
Preliminary feasibility studies for two possible experiments with the GlueX detector, installed in Hall D of Jefferson Laboratory, are presented. First, a general study of the feasibility of detecting the ηC at the current hadronic rate is discussed, without regard for detector or reconstruction efficiency. Second, a study of the

Preliminary feasibility studies for two possible experiments with the GlueX detector, installed in Hall D of Jefferson Laboratory, are presented. First, a general study of the feasibility of detecting the ηC at the current hadronic rate is discussed, without regard for detector or reconstruction efficiency. Second, a study of the use of statistical methods in studying exotic meson candidates is outlined, describing methods and providing preliminary data on their efficacy.
ContributorsPrather, Benjamin Scott (Author) / Ritchie, Barry G. (Thesis director) / Dugger, Michael (Committee member) / Barrett, The Honors College (Contributor) / School of Mathematical and Statistical Sciences (Contributor) / Department of Physics (Contributor)
Created2015-05
Description
Since the acceptance of Einstein's special theory of relativity by the scientific community, authors of science fiction have used the concept of time dilation to permit seemingly impossible feats. Simple spacecraft acceleration schemes involving time dilation have been considered by scientists and fiction writers alike. Using an original Java program

Since the acceptance of Einstein's special theory of relativity by the scientific community, authors of science fiction have used the concept of time dilation to permit seemingly impossible feats. Simple spacecraft acceleration schemes involving time dilation have been considered by scientists and fiction writers alike. Using an original Java program based upon the differential equations for special relativistic kinematics, several scenarios for round trip excursions at relativistic speeds are calculated and compared, with particular attention to energy budget and relativistic time passage in all relevant frames.
ContributorsAlfson, Jonathan William (Author) / Jacob, Richard (Thesis director) / Covatto, Carl (Committee member) / Foy, Joseph (Committee member) / Barrett, The Honors College (Contributor) / School of Mathematical and Statistical Sciences (Contributor) / Department of Physics (Contributor)
Created2015-05
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Description
In this paper, optimal control routines are applied to an existing problem of electron state transfer to determine if spin information can successfully be moved across a chain of donor atoms in silicon. The additional spin degrees of freedom are introduced into the formulation of the problem as well as

In this paper, optimal control routines are applied to an existing problem of electron state transfer to determine if spin information can successfully be moved across a chain of donor atoms in silicon. The additional spin degrees of freedom are introduced into the formulation of the problem as well as the control optimization algorithm. We find a timescale of transfer for spin quantum information across the chain fitting with a t > π/A and t > 2π/A transfer pulse time corresponding with rotation of states on the electron Bloch sphere where A is the electron-nuclear coupling constant. Introduction of a magnetic field weakens transfer
efficiencies at high field strengths and prohibits anti-aligned nuclear states from transferring. We also develop a rudimentary theoretical model based on simulated results and partially validate the characteristic transfer times for spin states. This model also establishes a framework for future work including the introduction of a magnetic field.
ContributorsMorgan, Eric Robert (Author) / Treacy, Michael (Thesis director) / Whaley, K. Birgitta (Committee member) / Greenman, Loren (Committee member) / Barrett, The Honors College (Contributor) / School of Mathematical and Statistical Sciences (Contributor) / Department of Physics (Contributor)
Created2015-05
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Description
Currently in synthetic biology only the Las, Lux, and Rhl quorum sensing pathways have been adapted for broad engineering use. Quorum sensing allows a means of cell to cell communication in which a designated sender cell produces quorum sensing molecules that modify gene expression of a designated receiver cell. While

Currently in synthetic biology only the Las, Lux, and Rhl quorum sensing pathways have been adapted for broad engineering use. Quorum sensing allows a means of cell to cell communication in which a designated sender cell produces quorum sensing molecules that modify gene expression of a designated receiver cell. While useful, these three quorum sensing pathways exhibit a nontrivial level of crosstalk, hindering robust engineering and leading to unexpected effects in a given design. To address the lack of orthogonality among these three quorum sensing pathways, previous scientists have attempted to perform directed evolution on components of the quorum sensing pathway. While a powerful tool, directed evolution is limited by the subspace that is defined by the protein. For this reason, we take an evolutionary biology approach to identify new orthogonal quorum sensing networks and test these networks for cross-talk with currently-used networks. By charting characteristics of acyl homoserine lactone (AHL) molecules used across quorum sensing pathways in nature, we have identified favorable candidate pathways likely to display orthogonality. These include Aub, Bja, Bra, Cer, Esa, Las, Lux, Rhl, Rpa, and Sin, which we have begun constructing and testing. Our synthetic circuits express GFP in response to a quorum sensing molecule, allowing quantitative measurement of orthogonality between pairs. By determining orthogonal quorum sensing pairs, we hope to identify and adapt novel quorum sensing pathways for robust use in higher-order genetic circuits.
ContributorsMuller, Ryan (Author) / Haynes, Karmella (Thesis director) / Wang, Xiao (Committee member) / Barrett, The Honors College (Contributor) / School of Mathematical and Statistical Sciences (Contributor) / Department of Chemistry and Biochemistry (Contributor) / School of Life Sciences (Contributor)
Created2015-05
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Description
In this experiment an Electrodynamic Ion Ring Trap was constructed and tested. Due to the nature of Electrostatic fields, the setup required an oscillating voltage source to stably trap the particles. It was built in a safe manner, The power supply was kept in a project box to avoid incidental

In this experiment an Electrodynamic Ion Ring Trap was constructed and tested. Due to the nature of Electrostatic fields, the setup required an oscillating voltage source to stably trap the particles. It was built in a safe manner, The power supply was kept in a project box to avoid incidental contact, and was connected to a small copper wire in the shape of a ring. The maximum voltage that could be experienced via incidental contact was well within safe ranges a 0.3mA. Within minutes of its completion the trap was able to trap small Lycopodium powder spores mass of approximately 1.7*10^{-11}kg in clusters of 15-30 for long timescales. The oscillations of these spores were observed to be roughly 1.01mm at their maximum, and in an attempt to understand the dynamics of the Ion Trap, a concept called the pseudo-potential of the trap was used. This method proved fairly inaccurate, involving much estimation and using a static field estimation of 9.39*10^8 N\C and a charge estimate on the particles of ~1e, a maximum oscillation distance of 1.37m was calculated. Though the derived static field strength was not far off from the field strength required to achieve the correct oscillation distance (Percent error of 9.92%, the small discrepancy caused major calculation errors. The trap's intended purpose however was to eventually trap protein molecules for mapping via XFEL laser, and after its successful construction that goal is fairly achievable. The trap was also housed in a vacuum chamber so that it could be more effectively implemented with the XFEL.
ContributorsNicely, Ryan Joseph (Author) / Kirian, Richard (Thesis director) / Weiterstall, Uwe (Committee member) / School of Mathematical and Statistical Sciences (Contributor) / Department of Physics (Contributor) / Barrett, The Honors College (Contributor)
Created2019-05
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Description
A search is underway to find baryon resonances that have been predicted, but yet remain unobserved. Nucleon resonances, due to their broad energy widths, overlap and must be disentangled in order to be identified. Meson photoproduction observables related to the orientation of the spin of the incoming photon and the

A search is underway to find baryon resonances that have been predicted, but yet remain unobserved. Nucleon resonances, due to their broad energy widths, overlap and must be disentangled in order to be identified. Meson photoproduction observables related to the orientation of the spin of the incoming photon and the spin of the target proton are useful tools to deconvolve the nucleon resonance spectrum. These observables are particularly sensitive to interference between phases of the complex amplitudes. A set of these observables has been measured using the CEBAF Large Acceptance Spectrometer (CLAS) at Jefferson Lab with linearly-polarized photons having energies from 725 to 1575 MeV with polar angle values of cos(theta) between -0.8 and 0.9 and transversely-polarized protons in the Jefferson Lab FRozen Spin Target (FROST). By fitting neutron yields from gamma p -> pi^+ n over azimuthal scattering angle, the observables \H and P have been extracted. These observables manifest as azimuthal modulations in the yields for the double-polarization experiment. Preliminary results for these observables will be presented and compared with predictions provided by the SAID Partial-Wave Analysis Facility.
ContributorsLee, Robert John (Author) / Dugger, Michael (Thesis director) / Ritchie, Barry (Committee member) / Department of Physics (Contributor) / Barrett, The Honors College (Contributor)
Created2018-05
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Description
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

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.
ContributorsThornton, Brandon Maverick (Author) / Sukharev, Maxim (Thesis director) / Goodnick, Stephen (Committee member) / School of Mathematical and Statistical Sciences (Contributor) / Department of Physics (Contributor) / Barrett, The Honors College (Contributor)
Created2018-05
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Description
A working knowledge of mathematics is a vital requirement for introductory university physics courses. However, there is mounting evidence which shows that many incoming introductory physics students do not have the necessary mathematical ability to succeed in physics. The investigation reported in this thesis used preinstruction diagnostics and interviews to

A working knowledge of mathematics is a vital requirement for introductory university physics courses. However, there is mounting evidence which shows that many incoming introductory physics students do not have the necessary mathematical ability to succeed in physics. The investigation reported in this thesis used preinstruction diagnostics and interviews to examine this problem in depth. It was found that in some cases, over 75% of students could not solve the most basic mathematics problems. We asked questions involving right triangles, vector addition, vector direction, systems of equations, and arithmetic, to give a few examples. The correct response rates were typically between 25% and 75%, which is worrying, because these problems are far simpler than the typical problem encountered in an introductory quantitative physics course. This thesis uncovered a few common problem solving strategies that were not particularly effective. When solving trigonometry problems, 13% of students wrote down the mnemonic "SOH CAH TOA," but a chi-squared test revealed that this was not a statistically significant factor in getting the correct answer, and was actually detrimental in certain situations. Also, about 50% of students used a tip-to-tail method to add vectors. But there is evidence to suggest that this method is not as effective as using components. There are also a number of problem solving strategies that successful students use to solve mathematics problems. Using the components of a vector increases student success when adding vectors and examining their direction. Preliminary evidence also suggests that repetitive trigonometry practice may be the best way to improve student performance on trigonometry problems. In addition, teaching students to use a wide variety of algebraic techniques like the distributive property may help them from getting stuck when working through problems. Finally, evidence suggests that checking work could eliminate up to a third of student errors.
ContributorsJones, Matthew Isaiah (Author) / Meltzer, David (Thesis director) / Peng, Xihong (Committee member) / Department of Physics (Contributor) / School of Mathematical and Statistical Sciences (Contributor) / Barrett, The Honors College (Contributor)
Created2016-12