Most neutral atom quantum computing experiments rely on destructive state detection techniques that eject the detected qubits from the trap. These techniques limit the repetition rate of these experiments due to the necessity of reloading a new quantum register for each operation. We address this problem by developing reusable neutral atom qubits. Individual Rubidium 87 atoms are trapped in an optical lattice and are held for upwards of 300 s. Each atom is prepared in an initial quantum state and then the state is subsequently detected with 95% fidelity with less than a 1% probability of losing it from the trap. This combination of long storage times and nondestructive state detection will facilitate the development of faster and more complex quantum systems that will enable future advancements in the field of quantum information.

The research presented in this dissertation was performed in the Atomic, Molecular and Optical (AMO) physics laboratory at the University of Manitoba. Atomic beams of the two-valence-electron heavy atom systems, barium and ytterbium, were investigated with low energy electron scattering and optical emission studies. Both the ground states and laser excited states were investigated as a function of incident electron beam energy from 10 eV to 50 eV. Measurements of relative cross sections and polarization for 583 nm and 554 nm line emission from the (6s7p)1P1 and (6s6p)1P1 states of barium excited by electron impact from both the ground states and the optically pumped metastable (6s5d)1D2 are reported. Data are normalized to absolute cross sections for the ground state (6s2)1S0→(6s6p)1P1 state transition due to electron scattering, with corrections for branching ratios and cascading from higher states to deduce the total level excitation cross sections. Results are also presented for the first studies of the 399 nm line emission from laser-excited ytterbium, yielding an upper limit on the apparent cross section for the (6s6p)3P1→(6s6p)1P1 transition. Results are compared with the latest theoretical models and previous data, where available. / October 2015

The chemistry of late first row transition metals supported by dipyrromethane and dipyrromethene ligands bearing sterically bulky substituents was explored. Transition metal complexes (Mn, Fe, Co, Ni, Zn) of the dipyrromethane ligand 1,9-dimesityl-5,5-dimethyldipyrromethane (dpma) were prepared. Structural and magnetic characterization (SQUID, EPR) of the bis-pyridine adducts \((dpma)Mn(py)_2\), \((dpma)Fe(py)_2\), and \((dpma)Co(py)_2\) showed each tetrahedral divalent ion to be high-spin, while square planar \((dpma)Ni^{II}(py)_2\) and tetrahedral \((dpma)Zn(py)_2\) were shown to be diamagnetic. Electrochemical experiments revealed oxidative events at common potentials independent of metal identity or spin state, consistent with ligand-based oxidation. Dipyrromethene ligand scaffolds were synthesized bearing large aryl \((Ar = 2,4,6-Ph_{3}C_{6}H_{2}, Mes = 2,4,6-Me_{3}C_{6}H_{2})\) or alkyl \((^{t}Bu = CMe_3, Ad = 1-adamantyl)\) flanking groups to afford three new disubstituted ligands \((^{R}dpme, 1, 9-R_2-5-mesityldipyrromethene, R = Ar, Mes, ^{t}Bu, Ad)\). While high-spin \((S=2)\), four-coordinate iron complexes of the type \((^{R}dpme)FeCl(solv)\) were obtained when R was Mes, tBu, or Ad, use of the sterically encumbered aryl-substituted ligand gave a three-coordinate high-spin \((S=2)\) complex \((^{Ar}dpme)FeCl\). Intramolecular C−H amination was discovered in the reaction of organic azides with \((^{Mes}dpme)FeCl(thf)\), though no intermediate was observed by UV/Vis, IR, or \(^{1}H\) VT-NMR experiments. Reaction of \((^{Ad}dpme)FeCl(OEt_2)\) with alkyl azides resulted in the catalytic amination of C–H bonds or aziridination of olefins at room temperature. Reaction of \(p-^{t}BuC_{6}H_{4}N_{3}\) with \((^{Ar}dpme)FeCl\) permitted isolation of a high-spin \((S=2)\) iron complex \((^{Ar}dpme)FeCl(N(p-^{t}BuC_6H_4))\), featuring a terminal imidyl radical antiferromagnetically coupled to high-spin \(Fe^{III}\), as determined by \(^{1}H\) NMR, X-ray crystallography, and \(^{57}Fe\) Mössbauer. A three-coordinate CoI complex \((^{Ar}dpme)Co(py)\) was synthesized and characterized by \(^{1}H\) NMR, SQUID magnetometry, and X-ray crystallography. Reaction of \((^{Ar}dpme)Co(py)\) with \(^{t}BuN_3\) afforded an isolable three-coordinate Co imide complex \((^{Ar}dpme)Co(N^{t}Bu)\) that exhibits spin crossover from a singlet to a quintet. Reaction of \((^{Ar}dpme)Co(py)\) with mesityl azide produces a spectroscopically observed intermediate, consistent with an \(S=1\) terminal imide complex, that converted via benzylic C–H activation into the metallacycloindoline \((^{Ar}dome)Co(\kappa^{2}-NHC_{6}H_{2}-2,4-Me_{2}-6-CH_2)\). / Chemistry and Chemical Biology

In microelectronics, the device size continues to shrink to improve the performance and functionality, which sets technical challenges for the integrated circuit (IC) fabrication. Novel materials and processing techniques are developed to maintain excellent device performances and structural reliability. Cobalt-based thin films possess numerous applications in microelectronics with the potential to enhance the device performance and reliability. This thesis explores the fabrication, characterization and application of cobalt-based thin films for microelectronics. Chemical vapor deposition (CVD) technique has been applied for depositing cobalt-based thin films, because CVD can produce high quality thin films with excellent conformality in complex 3D architectures required for future microelectronics. / Engineering and Applied Sciences

In this thesis, I present experiments on making and probing strongly correlated gases of ultracold atoms in an optical lattice with engineered potentials and dynamics. The quantum gas microscope first developed in our lab enables single-site resolution imaging and manipulation of atoms in a two-dimensional lattice, offering an ideal platform for quantum simulation of condensed matter systems. Here we demonstrate our abilities to generate optical potential with high precision and high resolution, and engineer coherent dynamics using photon assisted tunneling. We also create a system of bilayer quantum gases that brings new imaging capabilities and extends the possible range of our quantum simulation. / Physics

Atom transfer radical polymerization (ATRP) is one of the most commonly employed techniques for controlled radical polymerization. ATRP has great potential for the development of new materials due to the ability to control molecular weight and polymer architecture. To fully utilize the potential of ATRP as polymerization technique, the mechanism and the dynamics of the ATRP equilibrium must be well understood. In this thesis, various aspects of the ATRP process are explored through both laboratory experiments and computer modeling. Solvent effects, the limit of control and the use of iron as the mediator have been investigated. It was shown for copper mediated ATRP that the redox properties of the mediator and the polymerization properties were significantly affected by the solvent. As expected, the apparent rate constant (kpapp) increased with increasing activity of the mediator, but an upper limit was reached, where after kpapp was practically independent of the mediator potential. The degree of control deteriorated as the limit was approached. In the simulations, which were based on the thermodynamic properties of the ATRP equilibrium, the same trend of increasing kpapp with increasing mediator activity was seen and a maximum was also reached. The simulation results could be used to describe the limit of control. The maximum equilibrium constant for controlled ATRP was correlated to the propagation rate constant, which enables the design of controlled ATRP systems. Using iron compounds instead of copper compounds as mediators in ATRP is attractive from environmental aspects. Two systems with iron were investigated. Firstly, iron/EDTA was investigated as mediator as its redox properties are within a suitable range for controlled ATRP. The polymerization of styrene was heterogeneous, where the rate limiting step is the adsorption of the dormant species to the mediator surface. The polymerizations were not controlled and it is possible that they had some cationic character. In the second iron system, the intention was to investigate how different ligands affect the properties of an ATRP system with iron. Due to competitive coordination of the solvent, DMF, the redox and polymeri­zation properties were not significantly affected by the ligands. The differences between normal and reverse ATRP of MMA, such as the degree of control, were the result of different FeIII speciation in the two systems. / QC 20110406

In this thesis, we demonstrate the creation and characterization of multiparticle entangled states of neutral atoms with the help of a high finesse cavity. Our experimental setup consists of a fibre-based high finesse cavity above the surface of an atom chip. It allows us to prepare an ensemble of 87Rb atoms with well-defined atom number. The atoms are trapped in a single antinode of an intracavity standing wave dipole trap and are therefore all equally coupled to the cavity mode. We present a scheme based on a collective, quantum non-destructive (QND) measurement and conditional evolution to create symmetric entangled states and to analyze them at the single-particle level by directly measuring their Husimi Q function. We use this method to create and characterize W states of up to 41 atoms. From the tomography curve of the Q function, we reconstruct the symmetric part of the density matrix via different reconstruction techniques and obtain a fidelity of 0.42. Furthermore, we have devised an entanglement criterion which only relies on comparing two populations of the density matrix. We use it to infer the degree of multiparticle entanglement in our experimentally created states and find that the state with highest fidelity contains at least 13 entangled particles. In addition, we show preliminary results on experiments to count the atom number inside a cavity in the QND regime and to create entangled states via quantum Zeno dynamics.

Uranium (U) exhibits a high temperature body-centered cubic (bcc) allotrope that is often stabilized by alloying with transition metals such as Zr, Mo, and Nb for technological applications. One such application involves U–Zr as nuclear fuel, where radiation damage and diffusion (processes heavily dependent on point defects) are of vital importance. Metallic nuclear fuels swell under fission conditions, creating fission product gases such as helium, xenon and krypton. Several systems of U are examined within a density functional theory framework utilizing projector augmented wave pseudopotentials. The bulk modulus, the lattice constant, and the Birch–Murnaghan equation of state for the defect free bcc uranium allotrope are calculated. Defect parameters calculated include energies of formation of vacancies in the α and γ allotropes, as well as self-interstitials, Zr, He, Xe and Kr interstitial and substitutional defects. This work is utilized in the construction of modified Embedded-Atom Method interatomic potentials for the bcc phase of uranium as well as the binary systems of U-Xe, U-Kr and U-He. Using this potential, equilibrium volume and elastic constants are calculated at 0 K and found to be in close agreement with previous first principles calculations. Further, the melting point, heat capacity, enthalpy of fusion, thermal expansion and volume change upon melting are calculated and found to be in reasonable agreement with experiment. Calculations of dilute fission gas defects show reasonable agreement with first principles calculations. Finally, void and xenon bubble energetics are analyzed as a function of temperature.

Pagrindinis šio baigiamojo darbo tikslas yra pilnas, A. Deveikio realizuoto neutronų ir protonų pasiskirstymo atomo branduolio sluoksniuose algoritmo ir realizuotos programos, išanalizavimas ir vietų, duosiančių reikšmingą pagreitinimą algoritmo skaičiavimams ir konfiguravimams atlikti, paieška. Darbą sudaro penkios struktūrines dalys. Pirmoje dalyje yra aprašyti optimizavimo metodai ir pateikti atliktų bandymų, įrodančių optimizuotų fragmentų privalumus, rezultatai. Antrą darbo dalį sudaro trumpas esamo algoritmo logikos aprašymas. Trečia ir ketvirta darbo dalys yra pagrindinės, jose aprašyta visa optimizavimo darbo eiga. Paskutinėje dalyje yra pateikti korektiško optimizuoto darbo veikimo įrodymai bei optimizuoto algoritmo galimybių apžvalga. Darbo rezultate buvo gautas optimizuotas neutronų ir protonų pasiskirstymo atomo branduolio sluoksniuose algoritmas bei jo programinė realizacija, kuri gali būti naudojama atomo branduolio sluoksnių modelių skaičiavimuose ir Many Fermion Dynamic code programos pakete. / The main goal of this thesis is full analysis the algorithm of the distribution of neutrons and protons in the layers of atom nucleus together with a program created by A.Deveikis and the search of places which provide important acceleration for the calculations and configurations of the algorithm. The paper consists of 5 structural parts. In the first part of the paper, optimization methods are described and the results of the research proving the advantages of optimized fragments of the program provided. The second part of the paper consists of a short description of the logic of the algorithm. The third and the fourth part of the paper describe the process of optimization. The last part of the paper proves appropriate operation of the program and foresees the opportunities of the algorithm. As a result, the optimized algorithm of the distribution of neutrons and protons in the layers of atom nuclear was created. The realisation of the algorithm can be used in the calculations of the models of atom nuclear layers and the package of Many Fermion Dynamic code.

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