Ortho-positronium annihilation: steps toward computing the first order radiative corrections

The 0.2% experimental accuracy of the 1968 Beers and Hughes measurement of the annihilation lifetime of ortho-positronium motivates the attempt to compute the first order quantum electrodynamic corrections to this lifetime. The theoretical problems arising in this computation are here studied in detail up to the point of preparing the necessary computer programs and using them to carry out some of the less demanding steps -- but the computation has not yet been completed. Analytic evaluation of the contributing Feynman diagrams is superior to numerical evaluation, and for this process can be carried out with the aid of the Reduce algebra manipulation computer program.

The relation of the positronium decay rate to the electronpositron annihilation-in-flight amplitude is derived in detail, and it is shown that at threshold annihilation-in-flight, Coulomb divergences appear while infrared divergences vanish. The threshold Coulomb divergences in the amplitude cancel against like divergences in the modulating continuum wave function.

Using the lowest order diagrams of electron-positron annihilation into three photons as a test case, various pitfalls of computer algebraic manipulation are discussed along with ways of avoiding them. The computer manipulation of artificial polynomial expressions is preferable to the direct treatment of rational expressions, even though redundant variables may have to be introduced.

Special properties of the contributing Feynman diagrams are discussed, including the need to restore gauge invariance to the sum of the virtual photon-photon scattering box diagrams by means of a finite subtraction.

A systematic approach to the Feynman-Brown method of Decomposition of single loop diagram integrals with spin-related tensor numerators is developed in detail. This approach allows the Feynman-Brown method to be straightforwardly programmed in the Reduce algebra manipulation language.

The fundamental integrals needed in the wake of the application of the Feynman-Brown decomposition are exhibited and the methods which were used to evaluate them -- primarily dis persion techniques are briefly discussed.

Finally, it is pointed out that while the techniques discussed have permitted the computation of a fair number of the simpler integrals and diagrams contributing to the first order correction of the ortho-positronium annihilation rate, further progress with the more complicated diagrams and with the evaluation of traces is heavily contingent on obtaining access to adequate computer time and core capacity.

A ratiometric-based measure of gene co-expression

Current measures of global gene expression analyses, such as correlation and mutual information-based approaches, largely depend on the degree of association between mRNA levels and to a lesser extent on variability. I develop and implement a new approach, called the Ratiometric method, which is based on the coefficient of variation of the expression ratio of two genes, relying more on variation than previous methods. The advantage of such modus operandi is the ability to detect possible gene pair interactions regardless of the degree of expression dispersion across the sample group. Gene pairs with low expression dispersion, i.e., their absolute expressions remain constant across the sample group, are systematically missed by correlation and mutual information analyses. The superiority of the Ratiometric method in finding these gene pair interactions is demonstrated in a data set of RNA-seq B-cell samples from the 1000 Genomes Project Consortium. The Ratiometric method renders a more comprehensive recovery of KEGG pathways and GO-terms.

Kinetic theory of normal quantum fluids

Close to equilibrium, a normal Bose or Fermi fluid can be described by an exact kinetic equation whose kernel is nonlocal in space and time. The general expression derived for the kernel is evaluated to second order in the interparticle potential. The result is a wavevector- and frequency-dependent generalization of the linear Uehling-Uhlenbeck kernel with the Born approximation cross section.

The theory is formulated in terms of second-quantized phase space operators whose equilibrium averages are the n-particle Wigner distribution functions. Convenient expressions for the commutators and anticommutators of the phase space operators are obtained. The two-particle equilibrium distribution function is analyzed in terms of momentum-dependent quantum generalizations of the classical pair distribution function h(k) and direct correlation function c(k). The kinetic equation is presented as the equation of motion of a two -particle correlation function, the phase space density-density anticommutator, and is derived by a formal closure of the quantum BBGKY hierarchy. An alternative derivation using a projection operator is also given. It is shown that the method used for approximating the kernel by a second order expansion preserves all the sum rules to the same order, and that the second-order kernel satisfies the appropriate positivity and symmetry conditions.

Wave interactions in periodic structures and periodic dielectric waveguides

This work is concerned with a general analysis of wave interactions in periodic structures and particularly periodic thin film dielectric waveguides.

The electromagnetic wave propagation in an asymmetric dielectric waveguide with a periodically perturbed surface is analyzed in terms of a Floquet mode solution. First order approximate analytical expressions for the space harmonics are obtained. The solution is used to analyze various applications: (1) phase matched second harmonic generation in periodically perturbed optical waveguides; (2) grating couplers and thin film filters; (3) Bragg reflection devices; (4) the calculation of the traveling wave interaction impedance for solid state and vacuum tube optical traveling wave amplifiers which utilize periodic dielectric waveguides. Some of these applications are of interest in the field of integrated optics.

A special emphasis is put on the analysis of traveling wave interaction between electrons and electromagnetic waves in various operation regimes. Interactions with a finite temperature electron beam at the collision-dominated, collisionless, and quantum regimes are analyzed in detail assuming a one-dimensional model and longitudinal coupling.

The analysis is used to examine the possibility of solid state traveling wave devices (amplifiers, modulators), and some monolithic structures of these devices are suggested, designed to operate at the submillimeter-far infrared frequency regime. The estimates of attainable traveling wave interaction gain are quite low (on the order of a few inverse centimeters). However, the possibility of attaining net gain with different materials, structures and operation condition is not ruled out.

The developed model is used to discuss the possibility and the theoretical limitations of high frequency (optical) operation of vacuum electron beam tube; and the relation to other electron-electromagnetic wave interaction effects (Smith-Purcell and Cerenkov radiation and the free electron laser) are pointed out. Finally, the case where the periodic structure is the natural crystal lattice is briefly discussed. The longitudinal component of optical space harmonics in the crystal is calculated and found to be of the order of magnitude of the macroscopic wave, and some comments are made on the possibility of coherent bremsstrahlung and distributed feedback lasers in single crystals.

Existence of the transverse relaxation time in optically excited bulk semiconductors

Two basic types of depolarization mechanisms, carrier-carrier (CC) and carrier-phonon (CP) scattering, are investigated in optically excited bulk semiconductors (3D), in which the existence of the transverse relaxation time is proven based on the vector property of the interband transition matrix elements. The dephasing rates for both CC and CP scattering are determined to be equal to one half of the total scattering-rate-integrals weighted by the factors (1 - cos chi), where chi are the scattering angles. Analytical expressions of the polarization dephasing due to CC scattering are established by using an uncertainty broadening approach, and analytical ones due to both the polar optical-phonon and non-polar deformation potential scattering (including inter-valley scattering) are also presented by using the sharp spectral functions in the dephasing rate calculations. These formulas, which reveal the trivial role of the Coulomb screening effect in the depolarization processes, are used to explain the experimental results at hand and provide a clear physical picture that is difficult to extract from numerical treatments.

Extraction of CP Properties of the H(125) Boson Discovered in Proton-Proton Collisions at sqrt(s) = 7 and 8 TeV with the CMS Detector at the LHC

In this thesis we build a novel analysis framework to perform the direct extraction of all possible effective Higgs boson couplings to the neutral electroweak gauge bosons in the H → ZZ^(*) → 4l channel also referred to as the golden channel. We use analytic expressions of the full decay differential cross sections for the H → VV' → 4l process, and the dominant irreducible standard model qq ̄ → 4l background where 4l = 2e2μ,4e,4μ. Detector effects are included through an explicit convolution of these analytic expressions with transfer functions that model the detector responses as well as acceptance and efficiency effects. Using the full set of decay observables, we construct an unbinned 8-dimensional detector level likelihood function which is con- tinuous in the effective couplings, and includes systematics. All potential anomalous couplings of HVV' where V = Z,γ are considered, allowing for general CP even/odd admixtures and any possible phases. We measure the CP-odd mixing between the tree-level HZZ coupling and higher order CP-odd couplings to be compatible with zero, and in the range [−0.40, 0.43], and the mixing between HZZ tree-level coupling and higher order CP -even coupling to be in the ranges [−0.66, −0.57] ∪ [−0.15, 1.00]; namely compatible with a standard model Higgs. We discuss the expected precision in determining the various HVV' couplings in future LHC runs. A powerful and at first glance surprising prediction of the analysis is that with 100-400 fb^-1, the golden channel will be able to start probing the couplings of the Higgs boson to diphotons in the 4l channel. We discuss the implications and further optimization of the methods for the next LHC runs.

Theory of viscous and thermal attenuation of sound by small spheres

The problem is to calculate the attenuation of plane sound waves passing through a viscous, heat-conducting fluid containing small spherical inhomogeneities. The attenuation is calculated by evaluating the rate of increase of entropy caused by two irreversible processes: (1) the mechanical work done by the viscous stresses in the presence of velocity gradients, and (2) the flow of heat down the thermal gradients. The method is first applied to a homogeneous fluid with no spheres and shown to give the classical Stokes-Kirchhoff expressions. The method is then used to calculate the additional viscous and thermal attenuation when small spheres are present. The viscous attenuation agrees with Epstein's result obtained in 1941 for a non-heat-conducting fluid. The thermal attenuation is found to be similar in form to the viscous attenuation and, for gases, of comparable magnitude. The general results are applied to the case of water drops in air and air bubbles in water.

For water drops in air the viscous and thermal attenuations are camparable; the thermal losses occur almost entirely in the air, the thermal dissipation in the water being negligible. The theoretical values are compared with Knudsen's experimental data for fogs and found to agree in order of magnitude and dependence on frequency. For air bubbles in water the viscous losses are negligible and the calculated attenuation is almost completely due to thermal losses occurring in the air inside the bubbles, the thermal dissipation in the water being relatively small. (These results apply only to non-resonant bubbles whose radius changes but slightly during the acoustic cycle.)

Música que vem do coração: emos, identidades, cultura juvenil & sociabilidade digital

A dissertação trata de recente fenômeno juvenil urbano marcado pela identificação com um estilo musical chamado emo; os jovens que fazem parte dessa cultura juvenil se consideram mais emotivos que as outras pessoas em geral. Os emos caracterizam se também pela negação, tanto de uma identidade de grupo quanto da associação estigmatizada com um estilo específico de se vestir, se comportar e se expressar. As questões teóricas presentes nesse trabalho discutem como emos se utilizam das categorias nativas, emoções e expressões de sentimentos para representar a música, os indivíduos e o próprio grupo. A abordagem analítica central é sobre esta articulação entre música e emoção como um recurso identitário. A Internet é uma importante referência para os sujeitos pesquisados, e como ferramenta de investigação está acompanhada de considerações metodológicas sobre a etnografia virtual.

Interface da sexualidade no processo de parturição: perspectiva de mulheres

Esta pesquisa tem por objeto de estudo a expressão da sexualidade feminina no momento do parto e nascimento. A sexualidade é entendida a partir de um enfoque abrangente, como um aspecto central do indivíduo, e que está presente em todos os momentos de sua vida. Discutimos a sexualidade feminina como aquela expressa pela mulher no momento do parto e nascimento, ou seja, seus sentimentos positivos, emoções, desejos, fonte de prazeres, troca, comunicação e afetos, expressos e vivenciados pela mulher neste momento. Assim, objetivamos descrever a sexualidade na visão das mulheres que vivenciaram o parto normal; analisar a relação existente entre sexualidade e parto, na perspectiva das mulheres que vivenciaram o parto normal; e, discutir as relações e expressões de sexualidade vividas pelas mulheres durante o parto normal. Caracteriza-se por ser um estudo qualitativo, exploratório, onde o cenário foi duas maternidades situadas no Rio de Janeiro. Participaram do estudo 11 mulheres no puerpério mediato de partos fisiológicos. A coleta dos dados foi realizada através de entrevista semiestruturada que foram analisadas a partir de Análise de Conteúdos. Emergiram dos depoimentos as categorias: Sexualidade na compreensão das depoentes e a Sexualidade e sua interface no momento da parturição: uma relação a partir da vivência da mulher. Os resultados mais significativos foram: na primeira categoria, identificamos que as mulheres, inicialmente, tiveram dificuldade em falar de sexualidade, mas mesmo assim compreendem a sexualidade a partir de relações que fizeram, a saber: sexo/relação sexual; sensações e sentimentos positivos; e, imagem corporal. Na segunda categoria, encontramos uma afirmação da sexualidade presente no parto. A associação da sexualidade com o processo parturitivo foi verbalizada e expressada pelas mulheres com base em suas vivências pessoais, que se inter-relacionam com seu cotidiano sócio-cultural. Desta maneira, apontaram que a sexualidade está presente no parto, pois é demonstrada nele: o papel sexual reprodutivo da mulher, onde observamos satisfação e prazer feminino no nascimento do filho; e, o poder feminino de parir, onde as mulheres manifestaram satisfação e prazer na sua força e potencial no parto.

I. The crystal structure of trimesic acid. II. Topics in crystallographic calculations

I. Trimesic acid (1, 3, 5-benzenetricarboxylic acid) crystallizes with a monoclinic unit cell of dimensions a = 26.52 A, b = 16.42 A, c = 26.55 A, and β = 91.53° with 48 molecules /unit cell. Extinctions indicated a space group of Cc or C2/c; a satisfactory structure was obtained in the latter with 6 molecules/asymmetric unit - C₅₄O₃₆H₃₆ with a formula weight of 1261 g. Of approximately 12,000 independent reflections within the CuK_α sphere, intensities of 11,563 were recorded visually from equi-inclination Weissenberg photographs.

The structure was solved by packing considerations aided by molecular transforms and two- and three-dimensional Patterson functions. Hydrogen positions were found on difference maps. A total of 978 parameters were refined by least squares; these included hydrogen parameters and anisotropic temperature factors for the C and O atoms. The final R factor was 0.0675; the final "goodness of fit" was 1.49. All calculations were carried out on the Caltech IBM 7040-7094 computer using the CRYRM Crystallographic Computing System.

The six independent molecules fall into two groups of three nearly parallel molecules. All molecules are connected by carboxylto- carboxyl hydrogen bond pairs to form a continuous array of sixmolecule rings with a chicken-wire appearance. These arrays bend to assume two orientations, forming pleated sheets. Arrays in different orientations interpenetrate - three molecules in one orientation passing through the holes of three parallel arrays in the alternate orientation - to produce a completely interlocking network. One third of the carboxyl hydrogen atoms were found to be disordered.

II. Optical transforms as related to x-ray diffraction patterns are discussed with reference to the theory of Fraunhofer diffraction.

The use of a systems approach in crystallographic computing is discussed with special emphasis on the way in which this has been done at the California Institute of Technology.

An efficient manner of calculating Fourier and Patterson maps on a digital computer is presented. Expressions for the calculation of to-scale maps for standard sections and for general-plane sections are developed; space-group-specific expressions in a form suitable for computers are given for all space groups except the hexagonal ones.

Expressions for the calculation of settings for an Eulerian-cradle diffractometer are developed for both the general triclinic case and the orthogonal case.

Photographic materials on pp. 4, 6, 10, and 20 are essential and will not reproduce clearly on Xerox copies. Photographic copies should be ordered.

First principles based multiparadigm modeling of electronic structures and dynamics

Electronic structures and dynamics are the key to linking the material composition and structure to functionality and performance.

An essential issue in developing semiconductor devices for photovoltaics is to design materials with optimal band gaps and relative positioning of band levels. Approximate DFT methods have been justified to predict band gaps from KS/GKS eigenvalues, but the accuracy is decisively dependent on the choice of XC functionals. We show here for CuInSe₂ and CuGaSe₂, the parent compounds of the promising CIGS solar cells, conventional LDA and GGA obtain gaps of 0.0-0.01 and 0.02-0.24 eV (versus experimental values of 1.04 and 1.67 eV), while the historically first global hybrid functional, B3PW91, is surprisingly the best, with band gaps of 1.07 and 1.58 eV. Furthermore, we show that for 27 related binary and ternary semiconductors, B3PW91 predicts gaps with a MAD of only 0.09 eV, which is substantially better than all modern hybrid functionals, including B3LYP (MAD of 0.19 eV) and screened hybrid functional HSE06 (MAD of 0.18 eV).

The laboratory performance of CIGS solar cells (> 20% efficiency) makes them promising candidate photovoltaic devices. However, there remains little understanding of how defects at the CIGS/CdS interface affect the band offsets and interfacial energies, and hence the performance of manufactured devices. To determine these relationships, we use the B3PW91 hybrid functional of DFT with the AEP method that we validate to provide very accurate descriptions of both band gaps and band offsets. This confirms the weak dependence of band offsets on surface orientation observed experimentally. We predict that the CBO of perfect CuInSe₂/CdS interface is large, 0.79 eV, which would dramatically degrade performance. Moreover we show that band gap widening induced by Ga adjusts only the VBO, and we find that Cd impurities do not significantly affect the CBO. Thus we show that Cu vacancies at the interface play the key role in enabling the tunability of CBO. We predict that Na further improves the CBO through electrostatically elevating the valence levels to decrease the CBO, explaining the observed essential role of Na for high performance. Moreover we find that K leads to a dramatic decrease in the CBO to 0.05 eV, much better than Na. We suggest that the efficiency of CIGS devices might be improved substantially by tuning the ratio of Na to K, with the improved phase stability of Na balancing phase instability from K. All these defects reduce interfacial stability slightly, but not significantly.

A number of exotic structures have been formed through high pressure chemistry, but applications have been hindered by difficulties in recovering the high pressure phase to ambient conditions (i.e., one atmosphere and room temperature). Here we use dispersion-corrected DFT (PBE-ulg flavor) to predict that above 60 GPa the most stable form of N₂O (the laughing gas in its molecular form) is a 1D polymer with an all-nitrogen backbone analogous to cis-polyacetylene in which alternate N are bonded (ionic covalent) to O. The analogous trans-polymer is only 0.03-0.10 eV/molecular unit less stable. Upon relaxation to ambient conditions both polymers relax below 14 GPa to the same stable non-planar trans-polymer, accompanied by possible electronic structure transitions. The predicted phonon spectrum and dissociation kinetics validate the stability of this trans-poly-NNO at ambient conditions, which has potential applications as a new type of conducting polymer with all-nitrogen chains and as a high-energy oxidizer for rocket propulsion. This work illustrates in silico materials discovery particularly in the realm of extreme conditions.

Modeling non-adiabatic electron dynamics has been a long-standing challenge for computational chemistry and materials science, and the eFF method presents a cost-efficient alternative. However, due to the deficiency of FSG representation, eFF is limited to low-Z elements with electrons of predominant s-character. To overcome this, we introduce a formal set of ECP extensions that enable accurate description of p-block elements. The extensions consist of a model representing the core electrons with the nucleus as a single pseudo particle represented by FSG, interacting with valence electrons through ECPs. We demonstrate and validate the ECP extensions for complex bonding structures, geometries, and energetics of systems with p-block character (C, O, Al, Si) and apply them to study materials under extreme mechanical loading conditions.

Despite its success, the eFF framework has some limitations, originated from both the design of Pauli potentials and the FSG representation. To overcome these, we develop a new framework of two-level hierarchy that is a more rigorous and accurate successor to the eFF method. The fundamental level, GHA-QM, is based on a new set of Pauli potentials that renders exact QM level of accuracy for any FSG represented electron systems. To achieve this, we start with using exactly derived energy expressions for the same spin electron pair, and fitting a simple functional form, inspired by DFT, against open singlet electron pair curves (H₂ systems). Symmetric and asymmetric scaling factors are then introduced at this level to recover the QM total energies of multiple electron pair systems from the sum of local interactions. To complement the imperfect FSG representation, the AMPERE extension is implemented, and aims at embedding the interactions associated with both the cusp condition and explicit nodal structures. The whole GHA-QM+AMPERE framework is tested on H element, and the preliminary results are promising.

Part I - The radiation of elastic waves from a spherical cavity in a half space. Part II - Precision determination of focal depths and epicenters of earthquakes.

Part I: The dynamic response of an elastic half space to an explosion in a buried spherical cavity is investigated by two methods. The first is implicit, and the final expressions for the displacements at the free surface are given as a series of spherical wave functions whose coefficients are solutions of an infinite set of linear equations. The second method is based on Schwarz's technique to solve boundary value problems, and leads to an iterative solution, starting with the known expression for the point source in a half space as first term. The iterative series is transformed into a system of two integral equations, and into an equivalent set of linear equations. In this way, a dual interpretation of the physical phenomena is achieved. The systems are treated numerically and the Rayleigh wave part of the displacements is given in the frequency domain. Several comparisons with simpler cases are analyzed to show the effect of the cavity radius-depth ratio on the spectra of the displacements.

Part II: A high speed, large capacity, hypocenter location program has been written for an IBM 7094 computer. Important modifications to the standard method of least squares have been incorporated in it. Among them are a new way to obtain the depth of shocks from the normal equations, and the computation of variable travel times for the local shocks in order to account automatically for crustal variations. The multiregional travel times, largely based upon the investigations of the United States Geological Survey, are confronted with actual traverses to test their validity.

It is shown that several crustal phases provide control enough to obtain good solutions in depth for nuclear explosions, though not all the recording stations are in the region where crustal corrections are considered. The use of the European travel times, to locate the French nuclear explosion of May 1962 in the Sahara, proved to be more adequate than previous work.

A simpler program, with manual crustal corrections, is used to process the Kern County series of aftershocks, and a clearer picture of tectonic mechanism of the White Wolf fault is obtained.

Shocks in the California region are processed automatically and statistical frequency-depth and energy depth curves are discussed in relation to the tectonics of the area.

A small perturbation theory for cycloidal propellers

A hydromechanical theory is developed for cycloidal propellers for two limiting modes of operation wherein U » ΩR and U « ΩR, with U the rectilinear propeller speed (speed of advance) and ΩR the rotational blade speed. A first order theory is developed from the basic principles of the kinematics and dynamics of fluid motion and proceeds from the point of view of unsteady hydrofoil theory.

Explicit expressions for the instantaneous forces and moments produced by blade motions are presented. On the basis of these results an optimization procedure is carried out which minimizes the energy loss under the constraint of specified mean thrust. Under optimal conditions the propeller is found to possess high Froude efficiencies in both the high and low speed modes of propulsion. This efficiency is defined as the ratio of the average useful work obtained during one cycle of propeller operation to the average power input required to sustain the motion of the propeller during the cycle.

Conserved quantities and the formation of black holes in the Brans-Dicke theory of gravitation

In Part I, we construct a symmetric stress-energy-momentum pseudo-tensor for the gravitational fields of Brans-Dicke theory, and use this to establish rigorously conserved integral expressions for energy-momentum Pⁱ and angular momentum J^ik. Application of the two-dimensional surface integrals to the exact static spherical vacuum solution of Brans leads to an identification of our conserved mass with the active gravitational mass. Application to the distant fields of an arbitrary stationary source reveals that Pⁱ and J^ik have the same physical interpretation as in general relativity. For gravitational waves whose wavelength is small on the scale of the background radius of curvature, averaging over several wavelengths in the Brill-Hartle-Isaacson manner produces a stress-energy-momentum tensor for gravitational radiation which may be used to calculate the changes in Pⁱ and J^ik of their source.

In Part II, we develop strong evidence in favor of a conjecture by Penrose--that, in the Brans-Dicke theory, relativistic gravitational collapse in three dimensions produce black holes identical to those of general relativity. After pointing out that any black hole solution of general relativity also satisfies Brans-Dicke theory, we establish the Schwarzschild and Kerr geometries as the only possible spherical and axially symmetric black hole exteriors, respectively. Also, we show that a Schwarzschild geometry is necessarily formed in the collapse of an uncharged sphere.

Appendices discuss relationships among relativistic gravity theories and an example of a theory in which black holes do not exist.

Theoretical investigation of nonvolatile holographic storage in doubly doped lithium niobate crystals

We have studied theoretically the inherent mechanisms of nonvolatile holographic storage in doubly doped LiNbO3 crystals. The photochromic effect of doubly doped LiNbO3 crystals is discussed, and the criterion for this effect is obtained through the photochromism-bleach factor a = S(21)gamma(1)/S(11)gamma(2) that we define. The two-center recording and fixing processes are analytically discussed with extended Kukhtarev equations, and analytical expressions for recorded and fixed steady-state space-charge fields as well as temporal behavior during the fixing process are obtained. The effects of microphysical quantities, the macrophotochromic effect on fixing efficiency, and recorded and fixed steady-state space-charge fields, are discussed analytically and numerically. (C) 2002 Optical Society of America.