This thesis presents a collection of four papers published in peer-reviewed scientific journals plus a manuscript yet to be submitted, all of them in the field of low temperature physics and quantum fluids. Each of these works reports a step forward in the ever-developing theoretical description of helium systems by means of density functional theory. The first two papers deal with questions related to the groundstate description of helium complexes around atomic impurities. We have computed such structure and determined its effect on the dipole absorption spectrum of Na in (3)He—(4)He clusters and of Mg in the homogeneous, isotopically mixed liquid. We have also explored the limits of density functional calculations for a small number of helium atoms interacting with a linear carbonyl sulfide (OCS) molecule. To this end we have implemented a Kohn-Sham scheme for 3He and computed the structure of OCS@3HeN clusters for N up to 40. The next three papers deal with the real-time description of dynamical processes in helium systems of experimental interest. We present an efficient and quantitatively accurate procedure to compute dynamical processes, namely the dynamics of an excited electron bubble and of an excited silver impurity, following a time-dependent density functional theory (TDDFT) for helium coupled to the appropiate dynamics of impurities. In the case of the electron bubble, we have related the experimental disappearance of 1P bubbles at high pressures with the existence of a nonradiative de-excitation path involving the bubble splitting about 20 picoseconds after the excitation. In the case of the desorption of a silver atom from a He drop, our dynamical calculations predict a range of velocities for the ejected impurity consistent with the experimental velocity distribution, which can be taken as indirect evidence of the superfluidity of helium nanodroplets. / En esta tesis se presenta una colección de cuatro artículos publicados y un manuscrito aún no publicado, todos ellos en el campo de la física de bajas temperaturas y fluidos cuánticos. Cada uno de ellos reporta un paso adelante en la descripción teórica de los sistemas de helio por medio de la teoría del funcional de la densidad. Los primeros dos artículos están clasificados como “estructura" ya que tratan cuestiones relacionadas con la descripción del estado fundamental de complejos de helio dopados con impurezas atómicas. En ellos hemos calculado la estructura y determinado su efecto sobre el espectro de absorción dipolar del Na en agregados de (3)He-(4)He y del Mg en el líquido homogéneo e isotópicamente mezclado. Para el caso de Na en gotas se ha encontrado que, a pesar de necesitar una gran cantidad de (3)He para que la capa exterior de la gota sature, el espectro de la impureza es muy insensible a la composición isotópica y rápidamente satura al valor que toma en las gotas de (3)He puras. Para Mg en el líquido mezclado, la presencia de (3)He induce cambios en el espectro mucho más pequeños que su anchura característica, por lo que se ha encontrado que el efecto general de la composición isotópica de la mezcla en la espectroscopia es mínima. Hemos explorado también los límites del funcional de la densidad para un número pequeño de átomos de helio interactuando con una molécula lineal de sulfuro de carbonilo (OCS). Para ello hemos implementado un esquema de Kohn-Sham para el (3)He y hemos obtenido la estructura de agregados OCS@(3)He(N) para un número de átomos “N” hasta 40. Hemos comparado los resultados de los agregados de (4)He con el mismo número de átomos y hemos encontrado que la alta anisotrop_á de la molécula de OCS magni_ca los efectos de las diferentes estadísticas de cada isótopo. Nuestra estimación de los momentos de inercia de estos agregados es consistente con la interpretación de los datos experimentales que sugieren una estructura de 11 átomos de helio rotando solidariamente con la molécula de OCS. Los siguientes tres trabajos, clasificados como “dinámica", describen la evolución temporal de ciertos procesos de interés experimental en los sistemas de helio. Mientras que las publicaciones sobre la estructura completan una línea de trabajo bien establecida, las de esta sección abren un nuevo frente de exploración teórica sobre los procesos dinámicos con resolución de picosegundos. En ellos se presenta un procedimiento eficiente para describirlos cuantitativamente mediante una teoría del funcional de la densidad dependiente del tiempo (TDDFT, por sus siglas en inglés) para el helio, acoplado a la dinámica adecuada para la impureza. Cuál es la dinámica “adecuada" depende de las propiedades de la impureza: para la burbuja electrónica 1P se puede utilizar una descripción puramente mecanocuántica del electrón en una aproximación adiabática, mientras que para la burbuja 2P la aproximación adiabática no es aplicable y se deben acoplar las evoluciones en tiempo real del helio y del electrón. Para una impureza masiva como la Ag una descripción clásica de su movimiento es suficiente, pero el efecto de spin-órbita es lo suficientemente importante como para que el estado electrónico del átomo deba tenerse en cuenta en la dinámica como un grado de libertad cuantizado . En el caso de las burbujas electrónicas, hemos relacionado la desaparición de las burbujas 1P a altas presiones con la existencia de un camino de relajación no-radiativo que causa la rotura de la burbuja en dos mitades casi esféricas tras haber transcurrido unos 20 picosegundos desde su excitación. Hemos sido capaces de establecer esta relación gracias a que nuestro cálculo predice la “fisión" de la burbuja solo para presiones superiores a 1 bar, que es el mismo umbral observado experimentalmente para la desaparición de las burbujas 1P. Teniendo en cuenta que aumentar la presión en 1 bar aumenta la densidad de saturación del líquido en poco más de un 1 %, la exactitud de este resultado indica que TDDFT contiene la física relevante para describir este tipo de procesos y tiene capacidad de predicción cuantitativa. También hemos encontrado un marcado cambio en el comportamiento del espectro de absorción con resolución temporal de la burbuja 1P dependiendo de si ésta fisiona o no, es decir, dependiendo de la presión del líquido. La observación experimental de este cambio y su determinación podrá completar la información obtenida en los experimentos de cavitación y fotoconductividad. En el caso de la desorción de un átomo de plata tras su fotoexcitación en el interior de una gota de He, nuestros cálculos dinámicos predicen un rango de velocidades para la impureza consistente con la distribución de velocidades experimental. Esta velocidad es el resultado de cuánta energía transfiere la impureza a la gota, lo cual depende de los modos de excitación disponibles para dicha transferencia. Nuestra descripción del líquido solo permite excitaciones colectivas tales como ondas de densidad u oscilaciones de superficie, por lo que la compatibilidad de nuestros resultados con los datos experimentales se puede tomar como una evidencia indirecta de la superfluidez de las nanogotas de helio. Adicionalmente hemos descartado la nucleación vórtices como un posible canal de transferencia de energía en gotas nanoscópicas al no haberlos generado en nuestros cálculos.

This work represents several years' research into the field of radiation hardening by design. The unique characteristics of a SiGe HBT, described in Chapter 1, make it ideally suitable for use in extreme environment applications. Chapter 2 describes the total ionizing dose effects experienced by a SiGe HBT, particularly those experienced on an Earth-orbital or lunar-surface mission. In addition, the effects of total dose are evaluated on passive devices. As opposed to the TID-hardness of SiGe transistors, a clear vulnerability to single-event effects does exist. This field is divided into three chapters. First, the very nature of single-event transients present in SiGe HBTs is explored in Chapter 3 using a heavy-ion microbeam with both bulk and SOI platforms [31]. Then, in Chapter 4, a new device-level SEU-hardening technique is presented along with circuit-design techniques necessarily for its implementation. In Chapter 5, the circuit-level radiation-hardening techniques necessarily to mitigate the effects shown in Chapter 3 are developed and tested [32]. Finally, in Chapter 6, the performance of the SiGe HBT in a cryogenic testing environment is characterized to understand how the widely-varying temperatures of outer space may affect device performance. Ultimately, the built-in performance, TID-tolerance, and now-developing SEU-hardness of the SiGe HBT make a compelling case for extreme environment electronics. The low-cost, high-yield, and maturity of Si manufacturing combine with modern bandgap engineering and modern CMOS to produce a high-quality, high-performance BiCMOS platform suitable for space-borne systems.

Thesis (Ph. D.)--University of Missouri-Columbia, 2003. / Typescript. Vita. Includes bibliographical references (leaves 160-167). Also available on the Internet.

Thesis (Ph. D.)--University of Missouri-Columbia, 2003. / Typescript. Vita. Includes bibliographical references (leaves 160-167). Also available on the Internet.

Thesis (M.S.)--Mississippi State University. Department of Physics and Astronomy. / Title from title screen. Includes bibliographical references.

Current research on thermal effects on guideways has addressed many aspects of the behavior of guideways using two-dimensional models. The two-dimensional models are acceptable for existing guideway designs, in which cross sectional shapes are uniform along the length of the guideway. However, three-dimensional models are necessary for a modular design, in which the track structures that interact with Maglev vehicles are made separately and are assembled into the support structure, and in which the cross sectional shapes are not uniform. A three-dimensional numerical model of the thermal environment, in which the effect of partial shading is taken into account, is implemented for the study of guideway behavior under various thermal environments. The numerical model of the thermal environment is calibrated to the experimental results under the thermal environment at Austin, Texas, and is extrapolated to predict the behaviors of guideways under the thermal environment in Las Vegas, Nevada, which is one of the candidate sites for the implementation and deployment of the high speed Maglev transportation system. This study addresses the suitability of a modular steel guideway design under such a thermal environment. Characteristics of the behavior of guideways under various thermal environments are identified, and the behavior of guideways under the effect of partial shading is summarized. / text

This work presents a summary of experimental data and theoretical models that characterize the temperature-dependent behavior of key carrier-transport parameters in silicon down to cryogenic temperatures. In extreme environment applications such as space-based electronics, accurate models of carrier recombination, carrier mobility, and incomplete ionization of dopants form a necessary foundation for the development of reliable high-performance devices and circuits. Not only do these models have a wide impact on the simulated DC and AC performance of devices, but they also play a critical role in predicting the behavior of important phenomena such as single event upset in digital logic circuits. With this motivation, an overview is given of SRH recombination theory, addressing in particular the dependence of recombination lifetime on temperature and injection level. Carrier lifetime measurement methods are reviewed, and experiments to study carrier lifetimes in the substrate of a commercial SiGe BiCMOS process are presented. The experimental data is analyzed and leveraged in order to develop calibrated TCAD-relevant models. Similarly, an overview of low-temperature resistivity in silicon is presented. Modeling of resistivity over temperature is discussed, addressing the prevailing theoretical models for both carrier mobility and incomplete ionization of dopants. Experimental measurements of the temperature dependence of resistivity in both p-type and n-type silicon are presented, and calibrated TCAD-relevant models for carrier mobility and incomplete ionization are developed. Finally, the ability to integrate these calibrated models within commercial TCAD software is demonstrated. In addition, applications for these accurate temperature-dependent models are discussed, and future directions are outlined for research into cryogenic modeling of fundamental physical parameters.

This thesis studies hydrated oxygen and hydroxyl radicals as a basis for understanding the species formed in the icy surfaces of outer solar system bodies. Infrared spectroscopy is used to identify the species water-oxygen (H2O·O2) and water-hydroxyl (H2O·HO) complexes in inert gas matrices and presents a new mechanism for O2 formation in irradiated ices. The H2O·O2 Complex -- The H2O·O2 complex was identified in solid argon matrices at 11 K by measuring the infrared spectra of H2O⁄O2⁄Ar matrices. Absorption bands at 3731.6, 3638.3, 1590.2⁄1593.6 and 1551.9⁄1548.8 cm-1 were respectively assigned to asymmetric OH water stretching, symmetric OH water stretching, H2O bending, and the O2 stretching vibrations. This experimental data was in good agreement with the results of quantum mechanical calculations that predict the vibrational frequencies and intensities for H2O·O2. These calculations gave a binding energy of 0.72 kcal mol-1 for the complex. The H2O·HO Complex -- The H2O·HO complex was identified in solid argon matrices at 11 K by measuring the infrared spectra of OH⁄H2O⁄Ar matrices. The OH was formed in a Tesla coil discharge of an H2O⁄Ar gas stream. This gas stream also provided the source of H2O and Ar needed for the experiments. Three absorption bands were assigned to the OH stretch of the hydroxyl group in the complex. These three bands were caused by the occupancy of three different lattice sites. This experimental data was in good agreement with quantum mechanical calculations that predict the vibrational frequencies and intensities for H2O·HO. These calculations gave a binding energy of 5.69 kcal mol-1 for the complex. O2 Formation in Irradiated Ice -- A new mechanism for O2 formation in irradiated ice is presented. This mechanism draws on experimental evidence in the literature to explain the observations of solid O2 on or near the surface of the icy Galilean satellites, Europa and Ganymede. It is proposed that on these bodies, hydrogen peroxide, formed from the radiolysis and photolysis of the ice, is present in highly localized aggregates that hinder O2 diffusion out of the icy surface into the tenuous atmosphere. Further radiolysis and photolysis of these hydrogen peroxide aggregates can then lead to O2 formation via the formation of a short lived water-oxygen atom complex, H2O·O. The O atoms of a pair of these complexes then react rapidly to form O2

L'4He et l'3He sont des systèmes modèles pour comprendre les propriétés quantiques de la matière fortement corrélée. C'est pour cette raison que plusieurs études ont été consacrées à la compréhension de leur dynamique. A basses températures où les effets quantiques jouent un rôle essentiel, les excitations élémentaires dans l'4He sont décrites par un mode collectif d'excitations: phonon-roton. Par contre pour un système d'3He la description est plus complexe, le spectre d'excitation a deux composantes: un mode collectif (zéro-son) et un continuum d'excitations incohérentes de type particule-trou. Les deux sont bien décrites par la théorie de Landau des liquides de Fermi qui trouve sa validité pour des petits vecteurs d'onde. Jusqu'à présent, on supposait que la dynamique dans les liquides de Fermi à vecteurs d'onde élevés était essentiellement incohérente. Cette thèse porte sur l'exploration, par diffusion inélastique de neutrons, des excitations collectives dans l'3He liquide 2D adsorbé sur un substrat de graphite. Un tel travail expérimental requiert trois ingrédients essentiels : un réfrigérateur à dilution afin de travailler à basses températures, un spectromètre temps de vol afin de mesurer le facteur de structure dynamique du système et un substrat solide (graphite exfolié ZYX) pour la préparation de films d'3He-2D par physisorption. Nos expériences sur ces films d'3He déposés en deuxième couche sur de l'4He solide adsorbé sur le graphite nous ont permis de faire les observations suivantes : à petit vecteur d'onde, le zéro-son est plus proche de la bande particule-trou que celui observé dans le cas de l'3He massif, tandis qu'à fort vecteur d'onde le mode collectif entre dans le continuum et réapparait de l'autre côté. Cette nouvelle branche, observée pour la première fois, est aujourd'hui décrite par la théorie dynamique à N-corps développée par nos collaborateurs de l'université Johannes Kepler de Linz, Autriche. Au cours de ce travail de thèse plusieurs techniques expérimentales ont été développées, en particulier, un réfrigérateur à dilution sans fluide cryogénique robuste adapté à des expériences de diffusion neutronique. Son optimisation a permis de réduire le temps de refroidissement de ce type de réfrigérateurs. / 4He and 3He are model systems for understanding quantum properties of strongly interacting matter. For this reason many studies have been devoted for the understanding of their dynamics. At low temperatures at which quantum effects play an essential role, the elementary excitations in 4He are described by a phonon-roton collective mode. For 3He, the physical description is more complicated, the spectrum has two components: collective excitations (zero-sound) and incoherent particle-hole excitations. Both are described by Landau's theory of Fermi liquids which is valid at low wave vectors. So far, it was thus believed that the dynamics at high wave vectors is essentially incoherent. This thesis is mainly concerned by exploring the collective excitations of a two dimensional 3He film adsorbed on graphite, using inelastic neutron scattering. Such an experiment has three main requirements: a dilution refrigerator in order to work at low temperatures, a time of flight spectrometer for measuring the dynamical structure factor of 3He and a solid substrate (exfoliated graphite ZYX) to obtain a two dimensional film by physical adsorption. Our investigations of the dynamics in two-dimensional 3He adsorbed on graphite preplated with 4He films have revealed important features: At low wave-vectors, the zero-sound mode is considerably depressed compared to bulk 3He. At higher wave vectors, the collective excitations branch enters the particle-hole continuum, and reappears at the lower energy branch of the continuum. This new branch, observed for the first time, is described by the dynamic many-body theory developed by our collaborators from Johannes Kepler University, Linz, Austria. During this work several low temperature techniques have been developed, in particular a robust, cryogen-free dilution refrigerator adapted to the demanding conditions of a neutron scattering experiments. Due to its efficient design, the cooling time has been considerably reduced compared to that of refrigerators of the same type developed in the past.

O desenvolvimento de um concreto de alto desempenho aplicado a sistemas de processamento e armazenagem de alimentos em baixas temperaturas teve por objetivo atender às indústrias de alimentos no Brasil que se utilizam da tecnologia do frio em seu processo industrial. A hegemonia mundial do mercado de carnes é brasileira, sendo que nossas indústrias são responsáveis por 33% desse mercado. A ausência de estudos para aprimorar e tornar as plantas industriais mais duráveis e condizentes com a importância do setor foi determinante na delineação do tema desta tese. Desenvolveu-se um concreto de alto desempenho frente às possíveis situações em uma planta industrial: baixas temperaturas em ambientes secos e baixas temperaturas em ambientes sujeitos à umidade. A temperatura mínima a qual foram submetidos os concretos analisados foi de 35°C. O método de dosagem e as diretrizes calcadas no reforço da matriz da pasta de cimento e refinamento de poros mostraram-se como uma alternativa para vencer as agressividades causadas pelas baixas temperaturas ao concreto. Até então, estudos sugeriam um sistema de ar cujos vazios teriam diâmetros em torno de 250 µm espaçados com esta mesma distância entre eles e com conteúdo de 6±1% para a proteção de concretos expostos a baixas temperaturas. A produção de um concreto coeso, com teor de ar de 3,5%, poros com diâmetro médio de 0,02 µm e com área específica de 2,84m²/g, provaram ser duráveis quando expostos ao congelamento e a ciclos de gelo e degelo. O fator de durabilidade para esses concretos foi de 97%. Além da durabilidade, o projeto de dosagem contemplou o aspecto econômico, produzindo 1MPa com 7,8 kg de cimento por metro cúbico de concreto. Os resultados foram obtidos por meio de ensaios dinâmicos, microscopia eletrônica de varredura, porosimetria por intrusão de mercúrio, absorção de água por imersão, além dos ensaios mecânicos de resistência à compressão, à tração na flexão e módulo de elasticidade. / Brazil has rapidly emerged as one of the world\'s leading meat exporters, being responsible by 33% of this market. In face of that, a high performance concrete (HPC), that can be applied to storage and processing system buildings at low temperatures, has been developed with the aim of answering the needs of brazilian food manufacturers that use cooling technology during industrial process. The lack of studies to improve industrial plants and make them more durable was determinant to delineate this thesis subject. A high performance concrete was designed to resist to low temperatures at dry environments as well as at moist ones. Concrete was exposed to a target temperature of -35°C. The dosage method and the guidelines based on the strengthening of bulk cement and the porous refinement showed to be an alternative to overcome the aggressiveness caused by low temperatures to concrete. To this day, studies have suggested air voids systems to protect concrete from low temperature effects. According to them, the air voids should have about 250 µm of diameter, spaced from each other this same distance and with an air content of 6±1%. However, making a cohesive concrete, with 3,5% of air content and an average diameter porous of 0,02 µm with an specific surface of 2,84m²/g, resulted in a durable concrete, even when exposed to frost / thawing cycles. The durability factor of these concretes achieved 97%. Besides durability, the dosage design brought economical advantages, producing 1 MPa with 7,8 kg of cement per cubic meter of concrete. The results were obtained through dynamic tests, scanning electron microscopy, mercury intrusion porosimetry and water absorption by immersion. In addition, tests of compression, tension strength and elastic modulus were carried out.