Publications

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Recent experiments have shown that in the oxygen isotopic exchange reaction for O({sup 1}D) + CO{sub 2} the elastic channel is approximately 50% that of the inelastic channel [Perri et al., 2003]. We propose an analogous oxygen atom exchange reaction for the isoelectronic O({sup 1}D) + N{sub 2}O system to explain the mass-independent isotopic fractionation (MIF) in atmospheric N{sub 2}O. We apply quantum chemical methods to compute the energetics of the potential energy surfaces on which the O({sup 1}D) + N{sub 2}O reaction occurs. Preliminary modeling results indicate that oxygen isotopic exchange via O({sup 1}D) + N{sub 2}O can account for the MIF oxygen anomaly if the oxygen atom isotopic exchange rate is 30-50% that of the total rate for the reactive channels.

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We present the source code for three MATLAB classes for manipulating tensors in order to allow fast algorithm prototyping. A tensor is a multidimensional or Nway array. This is a supplementary report; details on using this code are provided separately in SAND-XXXX.

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The collapse of the Soviet Union in 1991 left the legacy of the USSR weapons complex with an estimated 50 nuclear, chemical, and biological weapons cities containing facilities responsible for research, production, maintenance, and destruction of the weapons stockpile. The Russian Federation acquired ten such previously secret, closed nuclear weapons complex cities. Unfortunately, a lack of government funding to support these facilities resulted in non-payment of salaries to employees and even plant closures, which led to an international fear of weapons material and knowledge proliferation. This dissertation analyzes migration in 33 regions of the Russian Federation, six of which contain the ten closed nuclear weapons complex cities. This study finds that the presence of a closed nuclear city does not significantly influence migration. However, the factors that do influence migration are statistically different in regions containing closed nuclear cities compared to regions without closed nuclear cities. Further, these results show that the net rate of migration has changed across the years since the break up of the Soviet Union, and that the push and pull factors for migration have changed across time. Specifically, personal and residential factors had a significant impact on migration immediately following the collapse of the Soviet Union, but economic infrastructure and societal factors became significant in later years. Two significant policy conclusions are derived from this research. First, higher levels of income are found to increase outmigration from regions, implying that programs designed to prevent migration by increasing incomes for closed city residents may be counter-productive. Second, this study finds that programs designed to increase capital and build infrastructure in the new Russian Federation will be more effective for employing scientists and engineers from the weapons complex, and consequently reduce the potential for emigration of potential proliferants.

Plasma and sheath structure around a rf excited stepped electrode is investigated. Laser-induced fluorescence dip spectroscopy is used to spatially resolve sheath fields in an argon discharge while optical emission and laser-induced fluorescence are used to measure the spatial structure of the surrounding discharge for various discharge conditions and step-junction configurations. The presence of the step perturbs the spatial structure of the fields around the step as well as the excitation in the region above the step.

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Its large cross section for absorption of thermal neutrons has made {sup 10}B a frequent candidate for use in neutron detectors. Here a boron-carbide-based thermoelectric device for the detection of a thermal-neutron flux is proposed. The very high melting temperatures and the radiation tolerance of boron carbides made them suitable for use within hostile environments (e.g., within nuclear reactors). The large anomalous Seebeck coefficients of boron carbides are exploited in proposing a relatively sensitive detector of the local heating that follows the absorption of a neutron by a {sup 10}B nucleus in a boron carbide.

Flash x-ray radiography has undergone a transformation in recent years with the resurgence of interest in compact, high intensity pulsed-power-driven electron beam sources. The radiographic requirements and the choice of a consistent x-ray source determine the accelerator parameters, which can be met by demonstrated Induction Voltage Adder technologies. This paper reviews the state of the art and the recent advances which have improved performance by over an order of magnitude in beam brightness and radiographic utility.

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We compare inexact Newton and coordinate descent methods for optimizing the quality of a mesh by repositioning the vertices, where quality is measured by the harmonic mean of the mean-ratio metric. The effects of problem size, element size heterogeneity, and various vertex displacement schemes on the performance of these algorithms are assessed for a series of tetrahedral meshes.

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We performed atomistic simulations to study the effect of free surfaces on the yielding of gold nanowires. Tensile surface stresses on the surfaces of the nanowires cause them to contract along the length with respect to the bulk face-centered cubic lattice and induce compressive stress in the interior. When the cross-sectional area of a (100) nanowire is less than 2.45 nm x 2.45 nm, the wire yields under its surface stresses. Under external forces and surface stresses, nanowires yield via the nucleation and propagation of the {l_brace}111{r_brace}<112> partial dislocations. The magnitudes of the tensile and compressive yield stress of (100) nanowires increase and decrease, respectively, with a decrease of the wire width. The magnitude of the tensile yield stress is much larger than that of the compressive yield stress for small (100) nanowires, while for small <111> nanowires, tensile and compressive yield stresses have similar magnitudes. The critical resolved shear stress (RSS) by external forces depends on wire width, orientation and loading condition (tension vs. compression). However, the critical RSS in the interior of the nanowires, which is exerted by both the external force and the surface-stress-induced compressive stress, does not change significantly with wire width for same orientation and same loading condition, and can thus serve as a 'local' criterion. This local criterion is invoked to explain the observed size dependence of yield behavior and tensile/compressive yield stress asymmetry, considering surface stress effects and different slip systems active in tensile and compressive yielding.