This report discusses the following topics: Circular magnetic x-ray dichroism at the ER L{sub 3} Edge; angular dependence of circular magnetic x-ray dichroism in rare earth compounds: and circular magnetic x-ray dichroism in crystalline and amorphous GDFE{sub 2}.

Yucca Mountain, Nevada has been chosen as a possible site for the first high level radioactive waste repository in the United States. As part of the site investigation studies, we need to make scientifically rigorous estimations of radionuclide migration in the event of a repository breach. Performance assessment models used to make these estimations are computationally intensive. We have developed two reactive transport modeling techniques to simulate radionuclide transport at Yucca Mountain: (1) the selective coupling approach applied to the convection-dispersion-reaction (CDR) model and (2) a reactive stream tube approach (RST). These models were designed to capture the important processes that influence radionuclide migration while being computationally efficient. The conventional method of modeling reactive transport models is to solve a coupled set of multi-dimensional partial differential equations for the relevant chemical components in the system. We have developed an iterative solution technique, denoted the selective coupling method, that represents a versatile alternative to traditional uncoupled iterative techniques and the filly coupled global implicit method. We show that selective coupling results in computational and memory savings relative to these approaches. We develop RST as an alternative to the CDR method for solving large two- or three-dimensional reactive transport simulations for cases …

An environmental monitoring technique using analysis of stable noble gas isotopic ratios on-stack at a reprocessing facility was developed. This technique integrates existing technologies to strengthen safeguards at reprocessing facilities. The isotopic ratios are measured using a mass spectrometry system and are compared to a database of calculated isotopic ratios using a Bayesian data analysis method to determine specific fuel parameters (e.g., burnup, fuel type, fuel age, etc.). These inferred parameters can be used by investigators to verify operator declarations. A user-friendly software application (named NOVA) was developed for the application of this technique. NOVA included a Visual Basic user interface coupling a Bayesian data analysis procedure to a reactor physics database (calculated using the Monteburns 3.01 code system). The integrated system (mass spectrometry, reactor modeling, and data analysis) was validated using on-stack measurements during the reprocessing of target fuel from a U.S. production reactor and gas samples from the processing of EBR-II fast breeder reactor driver fuel. These measurements led to an inferred burnup that matched the declared burnup with sufficient accuracy and consistency for most safeguards applications. The NOVA code was also tested using numerous light water reactor measurements from the literature. NOVA was capable of accurately determining …

A lattice gas automaton was implemented on a massively parallel machine (the BBN TC2000) and a vector supercomputer (the CRAY C90). The automaton models Burgers equation {rho}t + {rho}{rho}{sub x} = {nu}{rho}{sub xx} in 1 dimension. The lattice gas evolves by advecting and colliding pseudo-particles on a 1-dimensional, periodic grid. The specific rules for colliding particles are stochastic in nature and require the generation of many billions of random numbers to create the random bits necessary for the lattice gas. The goal of the thesis was to speed up the process of generating the random bits and thereby lessen the computational bottleneck of the automaton.

Atmospheric chemical-radiative-transport (CRT) models are vital in performing research on atmospheric chemical change. Even with the enormous computing capability delivered by massively parallel systems, extended three dimensional CRT simulations are still not computationally feasible. The major obstacle in a CRT model is the nonlinear ODE system describing the chemical kinetics in the model. These ODE systems are usually very stiff and account for anywhere from 75% to 90% of the CPU time required to run a CRT model. In this study, a simple explicit class of time stepping method is developed and demonstrated to be useful in treating chemical ODE systems without the use of a Jacobian matrix. These methods, called preconditioned time differencing methods, are tested on small mathematically idealized problems, box model problems, and full 2-D and 3-D CRT models. The methods are found to be both fast and memory efficient. Studies are performed on both vector and parallel systems. The preconditioned time differencing methods are established as a viable alternative to the more common backward differentiation formulas in terms of CPU speed across architectural platforms.

We describe a spectral approach to the investigation of fluid instability, generalized turbulence, and the interpenetration of fluids across an interface. The Technique also applies to a single fluid with large variations in density. Departures of fluctuating velocity components from the local mean are far subsonic, but the mean Mach number can be large. Validity of the description is demonstrated by comparisons with experiments on turbulent mixing due to the late stages of Rayleigh-Taylor instability, when the dynamics become approximately self-similar in response to a constant body force. Generic forms for anisotropic spectral structure are described and used as a basis for deriving spectrally integrated moment equations that can be incorporated into computer codes for scientific and engineering analyses.

Nuclear magnetic resonance techniques are traditionally used to study molecular level structure and dynamics with a noted exception in medically applied NMR imaging (MRI). In this work, new experimental methods and theory are presented relevant to the study of macroscopic morphology and dynamics using NMR field gradient techniques and solid state two-dimensional exchange NMR. The goal in this work is not to take some particular system and study it in great detail, rather it is to show the utility of a number of new and novel techniques using ideal systems primarily as a proof of principle. By taking advantage of the analogy between NMR imaging and diffraction, one may simplify the experiments necessary for characterizing the statistical properties of the sample morphology. For a sample composed of many small features, e.g. a porous medium, the NMR diffraction techniques take advantage of both the narrow spatial range and spatial isotropy of the sample`s density autocorrelation function to obtain high resolution structural information in considerably less time than that required by conventional NMR imaging approaches. The time savings of the technique indicates that NMR diffraction is capable of finer spatial resolution than conventional NMR imaging techniques. Radio frequency NMR imaging with a …

Radioactive metal waste makes up a significant portion of the waste currently being sent for disposal. Recovery of this metal as a valuable resource is possible through the use of decontamination technologies. Through the development and use of expert systems a comparison can be made of laser decontamination, a technology currently under development at Ames Laboratory, with currently available decontamination technologies for applicability to the types of metal waste being generated and the effectiveness of these versus simply disposing of the waste. These technologies can be technically and economically evaluated by the use of expert systems techniques to provide a waste management decision making tool that generates, given an identified metal waste, waste management recommendations. The user enters waste characteristic information as input and the system then recommends decontamination technologies, determines residual contamination levels and possible waste management strategies, carries out a cost analysis and then ranks, according to cost, the possibilities for management of the waste. The expert system was developed using information from literature and personnel experienced in the use of decontamination technologies and requires validation by human experts and assignment of confidence factors to the knowledge represented within.

Trac-II is a two dimensional axisymmetric resistive MHD code. It simulates all three spatial components (r, z, φ) of the magnetic field and fluid velocity vectors, and the plasma is treated as a single fluid with two temperatures (T_e,T_i). In addition, it can optionally include a self-consistent external circuit. Recent modifications to the code include the addition of the 3-T radiation model, a 4-phase (solid-liquid-vapor-plasma) equation of state model (QEOS), a 4-phase electrical/thermal conductivity model, and an implicit solution of poloidal B_z,B_r) magnetic field diffusion. These changes permit a detailed study of fiber and wire array Z-pinches. Specifically, Trac-II is used to study the wire array Z-pinch at the PBFA-Z pulse power generator at Sandia National Laboratory. First, in 1-D we examine the behavior of a single wire in the Z-pinch. Then, using these results as initial radial conditions in 2-D, we investigate the dynamics of wire array configurations in the r-z and r-θ plane. In the r-z plane we examine the growth of the m=0 or ��sausage�� instability in single wires within the array. In the r-θ plane we examine the merging behavior between neighboring wires. Special emphasis is placed on trying to explain how instability growth affects the …

A group of compounds referred to as metal hydrides, when used as electrode materials, is a less toxic alternative to the cadmium hydroxide electrode found in nickel/cadmium secondary battery systems. For this and other reasons, the nickel/metal hydride battery system is becoming a popular rechargeable battery for electric vehicle and consumer electronics applications. A model of this battery system is presented. Specifically the metal hydride material, LaNi{sub 5}H{sub 6}, is chosen for investigation due to the wealth of information available in the literature on this compound. The model results are compared to experiments found in the literature. Fundamental analyses as well as engineering optimizations are performed from the results of the battery model. In order to examine diffusion limitations in the nickel oxide electrode, a ``pseudo 2-D model`` is developed. This model allows for the theoretical examination of the effects of a diffusion coefficient that is a function of the state of charge of the active material. It is found using present data from the literature that diffusion in the solid phase is usually not an important limitation in the nickel oxide electrode. This finding is contrary to the conclusions reached by other authors. Although diffusion in the nickel oxide …

We investigated the surface bonding of various adsorbates (0, S, C{sub 2}H{sub 3} and NO) along with the resulting relaxation of the Pt(111) surface using low energy electron diffiraction (LEED). LEED experiments have been performed on these ordered overlayers along with theoretical structural analysis using automated tensor LEED (ATLEED). The resulting surface structures of these ordered overlayers exhibit similar adsorbate-induced relaxations. In all cases the adsorbate occupies the fcc hollow site and induces an approximately 0.1 A buckling of the metal surface. The three metal atoms directly bonded to the adsorbate are ``pulled`` out of the surface and the metal atom that is not bound to the adsorbate is `pushed`` inward. In order to understand the reliability of such details, we have carried out a comprehensive study of various non-structural parameters used in a LEED computation. We also studied the adsorption of water on the Pt(lll) surface. We ordered an ultra thin ice film on this surface. The film`s surface is found to be the (0001) face of hexagonal ice. This surface is apparently terminated by a full-bilayer, in which the uppermost water molecules have large vibrational amplitudes even at temperatures as low as 90 K. We examined two other …

The author has applied the Terahertz Time Domain Interferometric (THz-TDI) technique to probe the ultrafast dynamic response of a Superconducting-Insulating-Superconducting (SIS) tunnel junction and a Quantum Point Contact (QPC). The THz-TDI technique involves monitoring changes in the dc current induced by interfering two picosecond electrical pulses on the junction as a function of time delay between them. Measurements of the response of the Nb/AlO{sub x}/Nb SIS tunnel junction from 75--200 GHz are in full agreement with the linear theory for photon-assisted tunneling. Likewise, measurements of the induced current in a QPC as a function of source-drain voltage, gate voltage, frequency, and magnetic field also show strong evidence for photon-assisted transport. These experiments together demonstrate the general applicability of the THz-TDI technique to the characterization of the dynamic response of any micron or nanometer scale device that exhibits a non-linear I-V characteristic. 133 refs., 49 figs.

The ability of organisms to evolve and adapt to the environment has provided mother nature with a rich and diverse set of species. Only organisms well adapted to their environment can survive from one generation to the next, transferring on the traits, that made them successful, to their offspring. Competition for resources and the ever changing environment drives some species to extinction and at the same time others evolve to maintain the delicate balance in nature. In this disertation we present the multi-niche crowding genetic algorithm, a computational metaphor to the survival of species in ecological niches in the face of competition. The multi-niche crowding genetic algorithm maintains stable subpopulations of solutions in multiple niches in multimodal landscapes. The algorithm introduces the concept of crowding selection to promote mating among members with qirnilar traits while allowing many members of the population to participate in mating. The algorithm uses worst among most similar replacement policy to promote competition among members with similar traits while allowing competition among members of different niches as well. We present empirical and theoretical results for the success of the multiniche crowding genetic algorithm for multimodal function optimization. The properties of the algorithm using different parameters are …

X-ray ablation of material from the first wall and other components of an ICF (Inertial Confinement Fusion) chamber is a major threat to the laser final optics. Material condensing on these optics after a shot may cause damage with subsequent laser shots. To ensure the successful operation of the ICF facility, removal rates must be predicted accurately. The goal for this dissertation is to develop an experimentally validated x-ray response model, with particular application to the National Ignition Facility (NIF). Accurate knowledge of the x-ray and debris emissions from ICF targets is a critical first step in the process of predicting the performance of the target chamber system. A number of 1-D numerical simulations of NIF targets have been run to characterize target output in terms of energy, angular distribution, spectrum, and pulse shape. Scaling of output characteristics with variations of both target yield and hohlraum wall thickness are also described. Experiments have been conducted at the Nova laser on the effects of relevant x-ray fluences on various materials. The response was diagnosed using post-shot examinations of the surfaces with scanning electron microscope and atomic force microscope instruments. Judgments were made about the dominant removal mechanisms for each material. Measurements …

The author has directly observed the coupling of ion velocity fluctuations and magnetic field fluctuations to produce an MHD dynamo electric field in the interior of the MST reversed field pinch. Chord averaged ion velocity fluctuations were measured with a fast spectroscopic diagnostic which collects line radiation from intrinsic carbon impurities simultaneously along two lines of sight. The chords employed for the measurements resolved long wavelength velocity fluctuations of several km/s at 8--20 kHz as tiny, fast Doppler shifts in the emitted line profile. During discrete dynamo events the velocity fluctuations, like the magnetic fluctuations, increase dramatically. The toroidal and poloidal chords with impact parameters of 0.3 a and 0.6 a respectively, resolved fluctuation wavenumbers with resonance surfaces near or along the lines of sight indicating a radial velocity fluctuation width for each mode which spans only a fraction of the plasma radius. The phase between the measured toroidal velocity fluctuations and the magnetic fluctuations matches the predictions of resistive MHD while the poloidal velocity fluctuations exhibit a phase consistent with the superposition of MHD effects and the advection of a mean flow gradient past the poloidal line of sight. Radial velocity fluctuations resolved by a chord through the center …

An escaping alpha collector probe has been developed for TFTR`s DT phase. Energy distributions of escaping alphas have been determined by measuring the range of {alpha}-particles implanted into nickel foils located within the alpha collector. Results at 1.0 MA of plasma current are in good agreement with predictions for first orbit alpha loss. Results at 1.8 MA, however, show a significant anomalous loss of partially thermalized alphas (in addition to the expected first orbit loss), which is not observed with the lost alpha scintillator detectors in DT plasmas, but does resemble the anomalous delayed loss seen in DD plasmas. None of the candidate explanations proposed thus far are fully consistent with the anomalous loss observations. An experiment designed to study the effect of plasma major radius shifts on {alpha}-particle loss has led to a better understanding of {alpha}-particle dynamics in tokamaks. Intuitively, one might suppose that confined marginally passing {alpha}-particles forced to move toward higher magnetic field during an inward major radius shift (i.e., compression) would mirror and become trapped particles, leading to increased alpha loss. Such an effect was looked for during the shift experiment, however, no significant changes in alpha loss to the 90{degree} lost alpha scintillator detector …

This dissertation describes two-dimensional nuclear magnetic resonance theory and experiments which have been developed to study quadruples in the solid state. The technique of multiple-quantum magic-angle spinning (MQMAS) is extensively reviewed and expanded upon in this thesis. Specifically, MQMAS is first compared with another technique, dynamic-angle spinning (DAS). The similarity between the two techniques allows us to extend much of the DAS work to the MQMAS case. Application of MQMAS to a series of aluminum containing materials is then presented. The superior resolution enhancement through MQMAS is exploited to detect the five- and six-coordinated aluminum in many aluminosilicate glasses. Combining the MQMAS method with other experiments, such as HETCOR, greatly expands the possibility of the use of MQMAS to study a large range of problems and is demonstrated in Chapter 5. Finally, the technique switching-angle spinning (SAS) is applied to quadrupolar nuclei to fully characterize a quadrupolar spin system in which all of the 8 NMR parameters are accurately determined. This dissertation is meant to demonstrate that with the combination of two-dimensional NMR concepts and new advanced spinning technologies, a series of multiple-dimensional NMR techniques can be designed to allow a detailed study of quadrupolar nuclei in the solid state.

Many studies have been conducted in the area of job satisfaction. Its necessary attributes sor components have been studied, analyzed, validated, standardized, and normed, onpredominantly white male populations. Few of these studies have focused on people of color, specifically African-Americans, and fewer still on those African-Americans working in a high-tech, scientific and research environments. The researchers have defined what is necessary for the current dominent culture`s population, but are their findings applicable and valid for our nation`s other cultures and ethnic groups? Among the conclusions: the subjects felt that there was no real difference in job satisfiers from their white colleagues; however the subjects had the sense of community (African-American) and the need to give back to it. Frustrations included politics, funding, and lack of control.

This dissertation describes a methodology and example implementation for the dynamic regulation of temporally overlapping auditory messages in computer-user interfaces. The regulation mechanism exists to schedule numerous overlapping auditory messages in such a way that each individual message remains perceptually distinct from all others. The method is based on the research conducted in the area of auditory scene analysis. While numerous applications have been engineered to present the user with temporally overlapped auditory output, they have generally been designed without any structured method of controlling the perceptual aspects of the sound. The method of scheduling temporally overlapping sounds has been extended to function in an environment where numerous applications can present sound independently of each other. The Centralized Audio Presentation System is a global regulation mechanism that controls all audio output requests made from all currently running applications. The notion of multimodal objects is explored in this system as well. Each audio request that represents a particular message can include numerous auditory representations, such as musical motives and voice. The Presentation System scheduling algorithm selects the best representation according to the current global auditory system state, and presents it to the user within the request constraints of priority and maximum …

Two devices, an occupational carbon monoxide (CO) dosimeter (LOCD), and an indoor air quality (IAQ) passive sampler were developed for use in population-based CO exposure assessment studies. CO exposure is a serious public health problem in the U.S., causing both morbidity and mortality (lifetime mortality risk approximately 10{sup -4}). Sparse data from population-based CO exposure assessments indicate that approximately 10% of the U.S. population is exposed to CO above the national ambient air quality standard. No CO exposure measurement technology is presently available for affordable population-based CO exposure assessment studies. The LOCD and IAQ Passive Sampler were tested in the laboratory and field. The palladium-molybdenum based CO sensor was designed into a compact diffusion tube sampler that can be worn. Time-weighted-average (TWA) CO exposure of the device is quantified by a simple spectrophotometric measurement. The LOCD and IAQ Passive Sampler were tested over an exposure range of 40 to 700 ppm-hours and 200 to 4200 ppm-hours, respectively. Both devices were capable of measuring precisely (relative standard deviation <20%), with low bias (<10%). The LOCD was screened for interferences by temperature, humidity, and organic and inorganic gases. Temperature effects were small in the range of 10{degrees}C to 30{degrees}C. Humidity effects were …

Interest in solid state physics naturally gravitates towards novel systems such as the copper oxide superconductors or the alkali-doped fullerenes. This paper tackles high temperature superconductivity by extension of the BCS theory for ordinary superconductors, in particular, incorporation of anharmonicity in phonon dynamics and anisotropy in electron-phonon coupling. These refinements can account for many anomalous properties of the cuprates. Phonon anharmonicity is consistent with a small isotope effect at optimal doping and a larger isotope effect in suboptimal systems. Anisotropy in the interaction, a plausible consequence of certain anharmonic models, can circumvent objections to electron-phonon coupling based on transport measurements. Such anisotropy is consistent with gap anisotropy and strong temperature dependence of Hall coefficient. In contrast to cuprates, the doped fullerenes appear understandable within the standard model of single electron band theory and BCS theory. Microscopic parameters derivable from transport and critical field measurements yield a self-consistent picture of a disordered Type-2 BCS superconductor. Isotope effects imply that superconductivity is mediated by carbon phonons opposed to alkali atom vibrations. The novel properties of the fullerenes are generally traceable to their microscopic heterogeneity, being a collection of tightly bound but weakly overlapping molecules. Separation of electronic regimes into weak intermolecular overlap …

In this thesis the author discusses the methodology for doing photometry: from procedure of extracting supernova counts from images that contain combined supernova plus galaxy flux, to standard star calibration, to additional instrumental corrections that arise due to the multiple telescopes used for observations. He discusses the different sources of photometric error and their correlations, and the construction of the covariance matrix for all the points in the light curve. He then describes the K corrections which account for the redshifting of spectra that are necessary to compare the photometry of the high-redshift data with those from nearby (z < 0.1) supernovae. Finally, he uses the first seven of the supernovae to test the hypothesis that they live in an under-dense bubble where the locally measured Hubble constant differs significantly from the true Hubble constant. He also uses the data to place limits on the value of the Hubble constant. Discussions of several other important aspects of the data analysis are or will be included in other papers. These topics include a description of how the covariance matrix is used to generate light-curve fits, a discussion of non-photometric systematic errors that also effect the measurements, and a discussion of the …

Two techniques are employed in the Madison Symmetric Torus (MST) to test and control different aspects of fluctuation induced transport in the Reversed Field Pinch (RFP). Auxiliary edge currents are driven along the magnetic field to modify magnetic fluctuations, and the particle and energy transport associated with them. In addition, strong edge flows are produced by plasma biasing. Their effect on electrostatic fluctuations and the associated particle losses is studied. Both techniques are accomplished using miniature insertable plasma sources that are biased negatively to inject electrons. This type of emissive electrode is shown to reliably produce intense, directional current without significant contamination by impurities. The two most important conclusions derived from these studies are that the collective modes resonant at the reversal surface play a role in global plasma confinement, and that these modes can be controlled by modifying the parallel current profile outside of the reversal surface. This confirms predictions based on magnetohydrodynamic (MHD) simulations that auxiliary current drive in the sense to flatten the parallel current profile can be successful in controlling magnetic fluctuations in the RFP. However, these studies expand the group of magnetic modes believed to cause transport in MST and suggest that current profile control …

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