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Description
A time-dependent semiclassical formalism is developed for the theory of incoherentdiffractive imaging (IDI), an atomically-precise imaging technique based on the principles of
intensity interferometry. The technique is applied to image inner-shell X-ray fluorescence
from heavy atoms excited by the femtosecond pulses of an X-ray free-electron laser (XFEL).
Interference between emission from different atoms is expected when the XFEL pulse duration
is shorter than the fluorescence lifetime. Simulations for atoms at the vertices of a simple
icosahedral virus capsid are used to generate mock IDI diffraction patterns. These are then
used to reconstruct the geometry by phase retrieval of the intensity correlation function between
photons emitted independently from many different atoms at two different detector
pixels. The dependence of the intensity correlation function on fluorescence lifetime relative
to XFEL pulse duration is computed, and a simple expression for the visibility (or contrast)
of IDI speckle as well as an upper bound on the IDI signal-to-noise ratio are obtained as a
function of XFEL flux and lifetime. This indicates that compact XFELs, with reduced flux
but attosecond pulses, should be ideally suited to 3D, atomic-resolution mapping of heavy
atoms in materials science, chemistry, and biology. As IDI is a new technique, not much has
yet been written about it in the literature. The current theoretical and experimental results
are reviewed, including a discussion of signal-to-noise issues that have been raised regarding
the idea that IDI is suitable for structural biology.
ContributorsShevchuk, Andrew Stewart Hegeman (Author) / Kirian, Richard A (Thesis advisor) / Schmidt, Kevin E (Committee member) / Weierstall, Uwe (Committee member) / Graves, William S (Committee member) / Arizona State University (Publisher)
Created2022
Description
Interdigitated back contact (IBC) solar cells have achieved the highest single junction silicon wafer-based solar cell power conversion efficiencies reported to date. This thesis is about the fabrication of a high-efficiency silicon heterojunction IBC solar cell for potential use as the bottom cell for a 3-terminal lattice-matched dilute-nitride Ga (In)NP(As)/Si monolithic tandem solar cell. An effective fabrication process has been developed and the process challenges related to open circuit voltage (Voc), series resistance (Rs), and fill factor (FF) are experimentally analyzed. While wet etching, the sample lost the initial passivation, and by changing the etchant solution and passivation process, the voltage at maximum power recovered to an initial value of over 710 mV before metallization. The factors reducing the series resistance loss in IBC cells were also studied. One of these factors was the Indium Tin Oxide (ITO) sputtering parameters, which impact the conductivity of the ITO layer and transport across the a-Si:H/ITO interface. For the standard recipe, the chamber pressure was 3.5 mTorr with no oxygen partial pressure, and the thickness of the ITO layer in contact with the a-Si:H layers, was optimized to 150 nm. The patterning method for the metal contacts and final annealing also change the contact resistance of the base and emitter stack layers. The final annealing step is necessary to recover the sputtering damage; however, the higher the annealing time the higher the final IBC series resistance. The best efficiency achieved was 19.3% (Jsc = 37 mA/cm2, Voc = 691 mV, FF = 71.7%) on 200 µm thick 1-15 Ω-cm n-type CZ C-Si with a designated area of 4 cm2.
ContributorsMoeini Rizi, Mansoure (Author) / Goodnick, Stephen (Thesis advisor) / Honsberg, Christina (Committee member) / Goryll, Michael (Committee member) / Smith, David (Committee member) / Bowden, Stuart (Committee member) / Arizona State University (Publisher)
Created2022
Description
Cubic boron nitride (c-BN), hexagonal boron nitride (h-BN), and semiconducting diamond all have physical properties that make them ideal materials for applications in high power and high frequency electronics, as well as radiation detectors. However, there is limited research on the unique properties and growth of c-BN or h-BN thin films. This dissertation addresses the deposition of c-BN via plasma enhanced chemical vapor deposition (PECVD) on boron doped diamond substrates. In-Situ X-ray photoelectron spectroscopy (XPS) is used to characterize the thickness and hexagonal to cubic ratio of boron nitride thin films. The effects of hydrogen concentration during the deposition of boron nitride are investigated. The boron nitride deposition rate is found to be dependent on the hydrogen gas flow. The sp2 to sp3 bonding is also found to be dependent on the hydrogen gas flow. Preferential growth of h-BN is observed when an excess of hydrogen is supplied to the reaction, while h-BN growth is suppressed when hydrogen flow is reduced to be the limiting reactant. Reduced hydrogen flow is also observed to promote preferential growth of c-BN.
The hydrogen limited reaction is used to deposit c-BN on single crystal (100) boron-doped diamond substrates. In-situ ultra-violet photoelectron spectroscopy (UPS) and XPS are used to deduce the valence band offset of the diamond/c-BN interface. A valence band offset of -0.3 eV is measured with the diamond VBM above the VBM of c-BN. This value is then discussed in context of previous experimental results and theoretical calculations.
Finally, UPS and XPS are used to characterize the surface states of phosphorus-doped diamond. Variations within the processing parameters for surface preparation and the effects on the electronic surface states are presented and discussed.
ContributorsBrown, Jesse (Author) / Nemanich, Robert J (Thesis advisor) / Alarcon, Ricardo (Committee member) / Lindsay, Stuart (Committee member) / Zaniewski, Anna (Committee member) / Arizona State University (Publisher)
Created2021
Description
For this project, the diffuse supernova neutrino background (DSNB) has been calculated based on the recent direct supernova rate measurements and neutrino spectrum from SN1987A. The estimated diffuse electron antineutrino flux is ∼ 0.10 – 0.59 /cm2/s at 99% confidence level, which is 5 times lower than the Super-Kamiokande 2012 upper limit of 3.0 /cm2/s, above energy threshold of 17.3 MeV. With a Megaton scale water detector, 40 events could be detected above the threshold per year. In addition, the detectability of neutrino bursts from direct black hole forming collapses (failed supernovae) at Megaton detectors is calculated. These neutrino bursts are energetic and with short time duration, ∼ 1s. They could be identified by the time coincidence of N ≥2 or N ≥3 events within 1s time window from nearby (4 – 5 Mpc) failed supernovae. The detection rate of these neutrino bursts could get up to one per decade. This is a realistic way to detect a failed supernova and gives a promising method for studying the physics of direct black hole formation mechanism. Finally, the absorption of ultra high energy (UHE) neutrinos by the cosmic neutrino background, with full inclusion of the effect of the thermal distribution of the background on the resonant annihilation channel, is discussed. Results are applied to serval models of UHE neutrino sources. Suppression effects are strong for sources that extend beyond z ∼ 10. This provides a fascinating probe of the physics of the relic neutrino background in the unexplored redshift interval z ∼ 10 – 100. Ultimately this research will examine the detectability of DSNB, neutrino bursts from failed supernovae and absorption effects in the neutrino spectrum.
ContributorsYang, Lili, 1970- (Author) / Lunardini, Cecilia (Thesis advisor) / Alarcon, Ricardo (Committee member) / Shovkovy, Igor (Committee member) / Timmes, Francis (Committee member) / Vachaspati, Tanmay (Committee member) / Arizona State University (Publisher)
Created2013
Description
Multifunctional oxide thin-films grown on silicon and several oxide substrates have been characterized using High Resolution (Scanning) Transmission Electron Microscopy (HRTEM), Energy-Dispersive X-ray Spectroscopy (EDX), and Electron Energy-Loss Spectroscopy (EELS). Oxide thin films grown on SrTiO3/Si pseudo-substrate showed the presence of amorphised SrTiO3 (STO) at the STO/Si interface. Oxide/oxide interfaces were observed to be atomically clean with very few defects.
Al-doped SrTiO3 thin films grown on Si were of high crystalline quality. The Ti/O ratio estimated from EELS line scans revealed that substitution of Ti by Al created associated O vacancies. The strength of the crystal field in STO was measured using EELS, and decreased by ~1.0 eV as Ti4+ was substituted by Al3+. The damping of O-K EELS peaks confirmed the rise in oxygen vacancies. For Co-substituted STO films grown on Si, the EDS and EELS spectra across samples showed Co doping was quite random. The substitution of Ti4+ with Co3+ or Co2+ created associated oxygen vacancies for charge balance. Presence of oxygen vacancies was also confirmed by shift of Ti-L EELS peaks towards lower energy by ~0.4 eV. The crystal-field strength decreased by ~0.6 eV as Ti4+ was partially substituted by Co3+ or Co2+.
Spinel Co3O4 thin films grown on MgAl2O4 (110) were observed to have excellent crystalline quality. The structure of the Co3O4/MgAl2O4 interface was determined using HRTEM and image simulations. It was found that MgAl2O4 substrate is terminated with Al and oxygen. Stacking faults and associated strain fields in spinel Co3O4 were found along [111], [001], and [113] using Geometrical Phase Analysis.
NbO2 films on STO (111) were observed to be tetragonal with lattice parameter of 13.8 Å and NbO films on LSAT (111) were observed to be cubic with lattice parameter of 4.26 Å. HRTEM showed formation of high quality NbOx films and excellent coherent interface. HRTEM of SrAl4 on LAO (001) confirmed an island growth mode. The SrAl4 islands were highly crystalline with excellent epitaxial registry with LAO. By comparing HRTEM images with image simulations, the interface structure was determined to consist of Sr-terminated SrAl4 (001) on AlO2-terminated LAO (001).
Al-doped SrTiO3 thin films grown on Si were of high crystalline quality. The Ti/O ratio estimated from EELS line scans revealed that substitution of Ti by Al created associated O vacancies. The strength of the crystal field in STO was measured using EELS, and decreased by ~1.0 eV as Ti4+ was substituted by Al3+. The damping of O-K EELS peaks confirmed the rise in oxygen vacancies. For Co-substituted STO films grown on Si, the EDS and EELS spectra across samples showed Co doping was quite random. The substitution of Ti4+ with Co3+ or Co2+ created associated oxygen vacancies for charge balance. Presence of oxygen vacancies was also confirmed by shift of Ti-L EELS peaks towards lower energy by ~0.4 eV. The crystal-field strength decreased by ~0.6 eV as Ti4+ was partially substituted by Co3+ or Co2+.
Spinel Co3O4 thin films grown on MgAl2O4 (110) were observed to have excellent crystalline quality. The structure of the Co3O4/MgAl2O4 interface was determined using HRTEM and image simulations. It was found that MgAl2O4 substrate is terminated with Al and oxygen. Stacking faults and associated strain fields in spinel Co3O4 were found along [111], [001], and [113] using Geometrical Phase Analysis.
NbO2 films on STO (111) were observed to be tetragonal with lattice parameter of 13.8 Å and NbO films on LSAT (111) were observed to be cubic with lattice parameter of 4.26 Å. HRTEM showed formation of high quality NbOx films and excellent coherent interface. HRTEM of SrAl4 on LAO (001) confirmed an island growth mode. The SrAl4 islands were highly crystalline with excellent epitaxial registry with LAO. By comparing HRTEM images with image simulations, the interface structure was determined to consist of Sr-terminated SrAl4 (001) on AlO2-terminated LAO (001).
ContributorsDhamdhere, Ajit (Author) / Smith, David J. (Thesis advisor) / McCartney, Martha R. (Committee member) / Chamberlin, Ralph (Committee member) / Ponce, Fernando (Committee member) / Arizona State University (Publisher)
Created2015
Description
In disordered soft matter system, amorphous and crystalline components might be coexisted. The interaction between the two distinct structures and the correlation within the crystalline components are crucial to the macroscopic property of the such material. The spider dragline silk biopolymer, is one of such soft matter material that exhibits exceptional mechanical strength though its mass density is considerably small compare to structural metal. Through wide-angle X-ray scattering (WAXS), the research community learned that the silk fiber is mainly composed of amorphous backbone and $\beta$-sheet nano-crystals. However, the morphology of the crystalline system within the fiber is still not clear. Therefore, a combination of small-angle X-ray scattering experiments and stochastic simulation is designed here to reveal the nano-crystalline ordering in spider silk biopolymer. In addition, several density functional theory (DFT) calculations were performed to help understanding the interaction between amorphous backbone and the crystalline $\beta$-sheets.
By taking advantage of the prior information obtained from WAXS, a rather crude nano-crystalline model was initialized for further numerical reconstruction. Using Markov-Chain stochastic method, a hundreds of nanometer size $\beta$-sheet distribution model was reconstructed from experimental SAXS data, including silk fiber sampled from \textit{Latrodectus hesperus}, \textit{Nephila clavipes}, \textit{Argiope aurantia} and \textit{Araneus gemmoides}. The reconstruction method was implemented using MATLAB and C++ programming language and can be extended to study a broad range of disordered material systems.
By taking advantage of the prior information obtained from WAXS, a rather crude nano-crystalline model was initialized for further numerical reconstruction. Using Markov-Chain stochastic method, a hundreds of nanometer size $\beta$-sheet distribution model was reconstructed from experimental SAXS data, including silk fiber sampled from \textit{Latrodectus hesperus}, \textit{Nephila clavipes}, \textit{Argiope aurantia} and \textit{Araneus gemmoides}. The reconstruction method was implemented using MATLAB and C++ programming language and can be extended to study a broad range of disordered material systems.
ContributorsMou, Qiushi (Author) / Yarger, Jeffery (Thesis advisor) / Benmore, Chris (Committee member) / Holland, Gregory (Committee member) / Ros, Robert (Committee member) / Arizona State University (Publisher)
Created2015
Description
This dissertation details the development of an open source, frequency domain multiplexed (FDM) readout for large-format arrays of superconducting lumped-element kinetic inductance detectors (LEKIDs). The system architecture is designed to meet the requirements of current and next generation balloon-borne and ground-based submillimeter (sub-mm), far-infrared (FIR) and millimeter-wave (mm-wave) astronomical cameras, whose science goals will soon drive the pixel counts of sub-mm detector arrays from the kilopixel to the megapixel regime. The in-flight performance of the readout system was verified during the summer, 2018 flight of ASI's OLIMPO balloon-borne telescope, from Svalbard, Norway. This was the first flight for both LEKID detectors and their associated readout electronics. In winter 2019/2020, the system will fly on NASA's long-duration Balloon Borne Large Aperture Submillimeter Telescope (BLAST-TNG), a sub-mm polarimeter which will map the polarized thermal emission from cosmic dust at 250, 350 and 500 microns (spatial resolution of 30", 41" and 59"). It is also a core system in several upcoming ground based mm-wave instruments which will soon observe at the 50 m Large Millimeter Telescope (e.g., TolTEC, SuperSpec, MUSCAT), at Sierra Negra, Mexico.
The design and verification of the FPGA firmware, software and electronics which make up the system are described in detail. Primary system requirements are derived from the science objectives of BLAST-TNG, and discussed in the context of relevant size, weight, power and cost (SWaP-C) considerations for balloon platforms. The system was used to characterize the instrumental performance of the BLAST-TNG receiver and detector arrays in the lead-up to the 2019/2020 flight attempt from McMurdo Station, Antarctica. The results of this characterization are interpreted by applying a parametric software model of a LEKID detector to the measured data in order to estimate important system parameters, including the optical efficiency, optical passbands and sensitivity.
The role that magnetic fields (B-fields) play in shaping structures on various scales in the interstellar medium is one of the central areas of research which is carried out by sub-mm/FIR observatories. The Davis-Chandrasekhar-Fermi Method (DCFM) is applied to a BLASTPol 2012 map (smoothed to 5') of the inner ~1.25 deg2 of the Carina Nebula Complex (CNC, NGC 3372) in order to estimate the strength of the B-field in the plane-of-the-sky (B-pos). The resulting map contains estimates of B-pos along several thousand sightlines through the CNC. This data analysis pipeline will be used to process maps of the CNC and other science targets which will be produced during the upcoming BLAST-TNG flight. A target selection survey of five nearby external galaxies which will be mapped during the flight is also presented.
The design and verification of the FPGA firmware, software and electronics which make up the system are described in detail. Primary system requirements are derived from the science objectives of BLAST-TNG, and discussed in the context of relevant size, weight, power and cost (SWaP-C) considerations for balloon platforms. The system was used to characterize the instrumental performance of the BLAST-TNG receiver and detector arrays in the lead-up to the 2019/2020 flight attempt from McMurdo Station, Antarctica. The results of this characterization are interpreted by applying a parametric software model of a LEKID detector to the measured data in order to estimate important system parameters, including the optical efficiency, optical passbands and sensitivity.
The role that magnetic fields (B-fields) play in shaping structures on various scales in the interstellar medium is one of the central areas of research which is carried out by sub-mm/FIR observatories. The Davis-Chandrasekhar-Fermi Method (DCFM) is applied to a BLASTPol 2012 map (smoothed to 5') of the inner ~1.25 deg2 of the Carina Nebula Complex (CNC, NGC 3372) in order to estimate the strength of the B-field in the plane-of-the-sky (B-pos). The resulting map contains estimates of B-pos along several thousand sightlines through the CNC. This data analysis pipeline will be used to process maps of the CNC and other science targets which will be produced during the upcoming BLAST-TNG flight. A target selection survey of five nearby external galaxies which will be mapped during the flight is also presented.
ContributorsGordon, Samuel, Ph.D (Author) / Mauskopf, Philip (Thesis advisor) / Groppi, Christopher (Committee member) / Scowen, Paul (Committee member) / Bowman, Judd (Committee member) / Jacobs, Daniel (Committee member) / Arizona State University (Publisher)
Created2019
Description
Quantum Monte Carlo is one of the most accurate ab initio methods used to study nuclear physics. The accuracy and efficiency depend heavily on the trial wave function, especially in Auxiliary Field Diffusion Monte Carlo (AFDMC), where a simplified wave function is often used to allow calculations of larger systems. The simple wave functions used with AFDMC contain short range correlations that come from an expansion of the full correlations truncated to linear order. I have extended that expansion to quadratic order in the pair correlations. I have investigated this expansion by keeping the full set of quadratic correlations as well an expansion that keeps only independent pair quadratic correlations. To test these new wave functions I have calculated ground state energies of 4He, 16O, 40Ca and symmetric nuclear matter at saturation density ρ = 0.16 fm−3 with 28 particles in a periodic box. The ground state energies calculated with both wave functions decrease with respect to the simpler wave function with linear correlations only for all systems except 4He for both variational and AFDMC calculations. It was not expected that the ground state energy of 4He would decrease due to the simplicity of the alpha particle wave function. These correlations have also been applied to study alpha particle formation in neutron rich matter, with applications to neutron star crusts and neutron rich nuclei. I have been able to show that this method can be used to study small clusters as well as the effect of external nucleons on these clusters.
ContributorsPetrie, Cody L (Author) / Schmidt, Kevin E (Thesis advisor) / Shovkovy, Igor A. (Committee member) / Beckstein, Oliver (Committee member) / Alarcon, Ricardo O (Committee member) / Arizona State University (Publisher)
Created2019
Description
The rationale of this thesis is to provide a thorough understanding of spalling for semiconductor materials and develop a low temperature spalling technology that reduces the surface roughness of the spalled wafers for Photovoltaics applications.
ContributorsGuimera Coll, Pablo (Author) / Bertoni, Mariana I (Thesis advisor) / Meier, Rico (Committee member) / Holman, Zachary (Committee member) / Wang, Qing Hua (Committee member) / Arizona State University (Publisher)
Created2020
Description
Traditionally, allostery is perceived as the response of a catalytic pocket to perturbations induced by binding at another distal site through the interaction network in a protein, usually associated with a conformational change responsible for functional regulation. Here, I utilize dynamics-based metrics, Dynamic Flexibility Index and Dynamic Coupling Index to provide insight into how 3D network of interactions wire communications within a protein and give rise to the long-range dynamic coupling, thus regulating key allosteric interactions. Furthermore, I investigate its role in modulating protein function through mutations in evolution. I use Thioredoxin and β-lactamase enzymes as model systems, and show that nature exploits "hinge-shift'' mechanism, where the loss in rigidity of certain residue positions of a protein is compensated by reduced flexibility of other positions, for functional evolution. I also developed a novel approach based on this principle to computationally engineer new mutants of the promiscuous ancestral β-lactamase (i.e., degrading both penicillin and cephatoxime) to exhibit specificity only towards penicillin with a better catalytic efficiency through population shift in its native ensemble.I investigate how allosteric interactions in a protein can regulate protein interactions in a cell, particularly focusing on E. coli ribosome. I describe how mutations in a ribosome can allosterically change its associating with magnesium ions, which was further shown by my collaborators to distally impact the number of biologically active Adenosine Triphosphate molecules in a cell, thereby, impacting cell growth. This allosteric modulation via magnesium ion concentrations is coined, "ionic allostery''. I also describe, the role played by allosteric interactions to regulate information among proteins using a simplistic toy model of an allosteric enzyme. It shows how allostery can provide a mechanism to efficiently transmit information in a signaling pathway in a cell while up/down regulating an enzyme’s activity.
The results discussed here suggest a deeper embedding of the role of allosteric interactions in a protein’s function at cellular level. Therefore, bridging the molecular impact of allosteric regulation with its role in communication in cellular signaling can provide further mechanistic insights of cellular function and disease development, and allow design of novel drugs regulating cellular functions.
The results discussed here suggest a deeper embedding of the role of allosteric interactions in a protein’s function at cellular level. Therefore, bridging the molecular impact of allosteric regulation with its role in communication in cellular signaling can provide further mechanistic insights of cellular function and disease development, and allow design of novel drugs regulating cellular functions.
ContributorsModi, Tushar (Author) / Ozkan, Sefika (Thesis advisor) / Beckstein, Oliver (Committee member) / Vaiana, Sara (Committee member) / Ros, Robert (Committee member) / Arizona State University (Publisher)
Created2020