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Nous présentons ici les dispersions de phonons calculées de manière Ab-initio pour les trois chalcogénures de plomb PbS, PbSe et PbTe. Les branches acoustiques obtenues sont en très bon accord avec les expériences d'IXS ("Inelastic Neutron Scattering" - spectroscopie par diffraction inélastique de neutrons). La chaleur spécifique calculée concorde elle aussi avec les résultats expérimentaux. Enfin, le minimum particulièrement marqué de la branche optique transverse (TO) en Gamma induit par la quasi-ferroélectricité est reproduit de manière qualitative. Par ailleurs, nous observons dans nos calculs une chute prononcée sur la branche optique longitudinale (LO) en Gamma. Par le passé, cette baisse était associée à l'écrantage du champ électrique (associé au mode LO) par des porteurs libres suite à la présence d'impuretés. Mais nos calculs montrent que cela persiste même dans le cas de cristaux parfaits de chalcogénures de plomb. Nous expliquons cette chute comme une "quasi-Anomalie de Kohn" associée au faible gap électronique au point de haute symétrie L. Nous montrons que ce gap peut être réduit à zéro à la suite d'une compression de 1.8% de la constante de maille du cristal.Dans ce cas, les bandes de conduction et de valence montrent un croisement linéaire, les modes TO et LO en Gamma sont dégénérés, et une Anomalie de Kohn très forte apparaît sur le mode LO. Nos travaux apportent par ailleurs un support théorique pour l'interprétation des spectres Raman en fonction du diamètre des nanocristaux de séléniure de plomb (PbSe). En effet,le pic Raman de premier ordre se situe aux alentours de 136 cm-1 (et le pic de second ordre est situé au double de cette fréquence). Ils se décalent vers le haut avec la réduction du diamètre du nanocristal. Nous interprétons ce comportement inhabituel comme un confinement quantique du phonon optique longitudinal (LO). Cette hypothèse est validée par les calculs ab-initio des phonons de films de PbSe, avec une épaisseur allant jusqu'à 15 couches. Ces calculs tiennent compte des effets causés par l'environnement diélectrique. Le mode LO orienté perpendiculairement aux films est en effet décalé vers le haut en fréquences lorsque l'épaisseur des couches se réduit.Notre travail propose un point de départ à l'investigation du couplage électron-phonon dans le matériau massif et dans les nanocristaux de chalcogénures de plomb. Ceci pourra contribuer à une meilleure compréhension des mécanismes d'absorption de photons et à l'utilisation de ces matériaux pour les dispositifs d'émission et d'absorption de lumière. / We present ab-initio phonon dispersion relations for the three lead chalcogenides PbS, PbSe, and PbTe. The acoustic branches are in very good agreement with inelastie neutron-seattering data. Also calculations of the specific heat give good agreement with experimental data. The pronounced minimum of the transverse-optical (TO) branch at Gamma due to the near ferroelectricity of the lead chalcogenides is qualitatively reproduced. ln addition, we find a pronounced dip in the longitudinal-optieal (LO) branch at Gamma. This dip was previously explained as the effect of "free carriers" due to the presence of impurities. The calculations demonstrate that it persists also in the case of pure lead chalcogenides. We explain the dip as a "near Kohn anomaly"which is associated with the small electronic band gap at the high-symmetry point L. We show that this band-gap can be reduced to zero upon compression of the crystal lattice constant by 1.8%. In this case, the conduction and valence bands at L display a linear crossing, the TO and LO mode at Gamma are degenerate, and a very pronounced Kohn anomaly in the LO mode occurs. Furthermore, we have given theoretical and computational support for the interpretation of the diameter dependence of the Raman spectra of lead selenide nanocrystals. The first order Raman peak at about 136cm-1 and its second order overtone at twice this wave number move up in energy with decreasing nanocrystal radius. We interpret this anomalous behavior in terms of quantum confinement of the longitudinal optical (LO) phonon. This interpretation is validated by ab-initio calculations of the phonons of PbSe slabs with up to fifteen layers, taking into account the effects of dielectric embedding. The LO mode perpendicular to the slab shifts indeed upwards with decreasing layer thickness. Our work provides the starting point for the investigation of electron-phonon coupling in bulk and nanocrystalline lead chalcogenides, which should help to better understand the photon absorption mechanisms and the use of these materials in light-harvesting and light-emitting devices.

High harmonic generation (HHG) in solids has two main applications. First, HHG is an all-solid-state source of coherent attosecond very ultraviolet (VUV) radiation. As such, it presents a promising source for attosecond science. The ultimate goal of attosecond science is to make spatially and temporally resolved movies of microscopic processes, such as the making and breaking of molecular bonds. Second, the HHG process itself can be used to spatially and temporally resolve fast processes in the condensed matter phase, such as charge shielding, multi-electron interactions, and the dynamics and decay of collective excitations. The main obstacles to realize these goals are: the very low efficiency of HHG in solids and incomplete understanding of the ultrafast dynamics of the complex many-body processes occurring in the condensed matter phase. The theoretical analysis developed in this thesis promises progress along both directions. First, it is demonstrated that nanoengineering by using lower-dimensional solids can drastically enhance the efficiency of HHG. The effect of quantum confinement on HHG in semiconductor materials is studied by systematically varying the confinement width along one and two directions transverse to the laser polarization. Our analysis shows growth in high harmonic efficiency concurrent with a reduction of ionization. This decrease in ionization comes as a consequence of an increased band gap resulting from the confinement. The increase in harmonic efficiency results from a restriction of wave packet spreading, leading to greater re-collision probability. Consequently, nanoengineering of one and two-dimensional nanosystems may prove to be a viable means to increase harmonic yield and photon energy in semiconductor materials driven by intense laser fields. Thus, it will contribute towards the development of reliable, all-solid-state, small-scale, and laboratory attosecond pulse sources. Second, it is shown that HHG from impurities can be used to tomographically reconstruct impurity orbitals. A quasi-classical three-step model is developed that builds a basis for impurity tomography. HHG from impurities is found to be similar to the high harmonic generation in atomic and molecular gases with the main difference coming from the non-parabolic nature of the bands. This opens a new avenue for strong field atomic and molecular physics in the condensed matter phase and allows many of the processes developed for gas-phase attosecond science to be applied to the condensed matter phase. As a first application, my conceptual study demonstrates the feasibility of tomographic measurement of impurity orbitals. Ultimately, this could result in temporally and spatially resolved measurements of electronic processes in impurities with potential relevance to quantum information sciences, where impurities are prime candidates for realizing qubits and single photon sources. Although scanning tunneling microscope (STMs) can measure electron charge distributions in impurities, measurements are limited to the first few surface layers and ultrafast time resolution is not possible yet. As a result, HHG tomography can add complementary capacities to the study of impurities.

A study of pool boiling of a dielectric liquid (PF 5060) from single-layered enhanced structures was conducted. The parameters investigated were the heat flux, the width of the microchannels and the microchannel pitch. The boiling performance of the enhanced structures increases with increase in channel width and decrease in channel pitch. Simple single line curve fits are provided as a practical way of predicting the data over the entire nucleate boiling regime. The influence of confinement on the thermal performance of the enhanced structures was also assessed. The main parameter investigated was the top space (0 mm { 13 mm). High-speed visualization was used as a tool . For the total confinement ( = 0 mm), the heat transfer performance of the enhanced structures was found to depend weakly on the channel width. For >0 mm, the enhancement observed for plain surfaces in the low heat fluxes regime is not present for the present enhanced structure. The maximum heat flux for a prescribed 85 oC surface temperature limit increased with the increase of the top spacing, similar to the plain surfaces case. Two characteristic regimes of pool boiling have been identified and described: isolated flattened bubbles regime and coalesced bubbles regime. A semi-analytical predictive model applicable to pool boiling under confinement is developed. The model requires a limited number of empirical constants and is capable of predicting the experimental heat flux within 30%.

Thesis (Ph. D.)--University of Washington, 2000. / Vita. Includes bibliographical references (leaves [328]-333).

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Eight cecally cannulated Quarter Horse geldings were utilized in a crossover design with two 28 d periods with a 21 d washout period between. Horses were adapted to dietary treatments from d 1 to 19, dry matter intake was determined from d 20 to 24, and cecal fluid was collected on d 28. Horses were paired by age and body weight (BW) and randomly assigned to treatment. Treatments consisted of housing horses individually in stalls or group housed in a dry lot pen. Regardless of treatment, all horses were individually fed a pelleted concentrate at 1% BW (as fed) offered twice daily 12 h apart. All horses had ad libitum access to coastal bermudagrass hay. Hay was offered to stalled horses initially at 2% BW (as fed) then adjusted based on 120% of a previous 3 d average of voluntary intake. A dual marker system was utilized for estimation of voluntary intake in all horses using titanium dioxide (TiO2) as the external marker and acid detergent insoluble ash (ADIA) as the internal marker. Cecal samples were collected 4-h after the morning meal and immediately analyzed for pH. Samples were transported to the USDA/ARS laboratory to enumerate total anaerobic bacteria and lactic acid bacteria, and to determine methane and ammonia activity. Cecal pH was influenced by housing (P = 0.02) with group housed horses having lower cecal pH values when compared to stalled horses (6.52 +/- 0.04 and 6.69 +/- 0.04, respectively). The cecal pH values of this study are similar to other reported values when feeding similar diets (5). Populations of cecal total anaerobic bacteria and lactobacillus were not influenced by housing (P >= 0.21). Treatments did not affect the production of acetate, propionate, or butyrate (P >= 0.15). Additionally, methane and ammonia production were not affected by treatments (P >= 0.17). Forage intake was greater for group housed horses (P = 0.04) than stalled (8.47 +/- 0.89 kg DM/d and 5.17 +/- 0.89 kg DM/d, respectively). In conclusion, confinement housing did not greatly influence the cecal environment of a horse when similar diets were offered.

Thesis (M.S.)--University of Michigan, 1979.

Objective. To our knowledge, the impact of the COVID-19 pandemic on fibromyalgia (FM) patients has not been studied before. FM patients often experience clinical impairment with stress. The aim of this study was to determine whether severity of FM increases because of confinement by the COVID-19 pandemic. Methods. This prospective study includes patients from the Combined Index of Severity of Fibromyalgia (ICAF) cohort who met the 2010 ACR FM criteria. In this cohort, all patients have a periodical evaluation of their quality of life through two questionnaires, the ICAF, which assesses the ability to perform daily living activities, anxiety and depression, and through the Patient Global Impression of Change (PGIC), which assesses overall change after a therapeutical intervention. Pre- and post-confinement measurements were analysed. Inferential statistical analysis and ANOVA for repeated measurements were used. Results. A total of 93 patients received a phone consultation, (95.5% females), mean (SD) age of 48.23 (8.38) years. Four patients were excluded as presenting COVID-19 and 51 (57%) completed the post-confinement ICAF. Following confinement, 25 (49%) patients got worse (group-worse) and 26 (51%) patients experienced no change or improved (group-stable). Comparisons between pre- and post-confinement ICAF did not show significant differences in both groups. Passive coping was significantly different in group-worse in pre-confinement evaluation. In the 80% of patients with passive coping predominance there were no changes in coping strategy. Conclusion. No clinical impairment due to COVID-19 confinement occurred. The perceived worsening among FM patients relies primarily on how patients cope with their disease, without a real impact on clinical manifestations.