Maintaining the Stability of Trilinos Dev: Stable vs Experimental Code
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Proposed for publication in the Journal of Chemical Physics.
Hermitian linearized coupled-cluster methods have several advantages over more conventional coupled-cluster methods including facile analytical gradients for searching a potential energy surface. A persistent failure of linearized methods, however, is the presence of singularities on the potential energy surface. A simple Tikhonov regularization procedure is introduced that can eliminate this singularity. Application of the regularized linearized coupled-cluster singles and doubles (CCSD) method to both equilibrium structures and transition states shows that it is competitive with or better than conventional CCSD, and is more amenable to parallelization.
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Proposed for publication in the Physical Review Letters.
We present the first experimental measurement of the geometric critical exponent {beta} associated with the percolation probability, the probability a metallic filler belongs to the conducting network, of an electrical composite. The technique employs conducting-tip atomic force microscopy to obtain a conducting areal density, and is demonstrated on polyimide nanocomposites containing different concentrations of carbon nanofibers. We find {beta} {approx} 1 and t (the exponent for bulk conductivity) {approx} 3. These values are consistent with the predictions for the Bethe lattice and larger than the values predicted in the 3D lattice percolation model. Hence, this electrical composite likely belongs to the same universality class as the Bethe lattice. The ability to measure geometric and transport critical exponents on the same material is critical to drawing this conclusion.
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Understanding and controlling hydrodynamic instabilities is critical to achieving ignition at National Ignition Facility (NIF). High resolution x-ray radiography of a NIF capsule may be able to measure key aspects of short wavelength instability growth including time dependent areal density variations, the dominant wavelength of growth, amount of growth from isolated capsule defects on the ablator and ice surfaces, and growth of perturbations as a result of the fill tube or dust contaminants. Radiography of the capsule limb may also place constraints on the width of the ice/ablator mix layer. Measurement of these various observables are important to determine what effect target design changes has on instability growth and to validate code predictions. We present an analysis of 2D and 3D HYDRA simulations and demonstrate how radiography can be used to diagnose signatures of mix in NIC capsules.
Technical Proceedings of the 2008 NSTI Nanotechnology Conference and Trade Show, NSTI-Nanotech, Nanotechnology 2008
Hierarchical nanoporous materials afford the opportunity to combine the high surface area and functionality of nanopores with the superior charge/discharge characteristics of wider transport channels. In the present paper we optimize the apertures and spacing of a family of transport channels providing access to a surrounding nanoporous matrix during recharge/discharge cycles of materials intended for storage of gas or electric charge. A diffusive transport model is used to describe alternative processes of viscous gas flow, Knudsen gas flow, and ion diffusion. The coupled transport equations for the nanoporous matrix and transport channels are linearized and solved analytically for a periodic variation in external gas pressure or ion density using a separation-of-variables approach in the complex domain. Channel apertures and spacing are optimized to achieve maximum inflow/outflow from the functional matrix material for a fixed system volume.
Combustion and Flame
Filtered mass density functions (FMDFs) of mixture fraction and temperature are studied by analyzing experimental data obtained from one-dimensional Raman/Rayleigh/LIF measurements of nonpremixed CH4/H2/N2 turbulent jet flames at Reynolds numbers of 15,200 and 22,800 (DLR-A and -B). The experimentally determined FMDFs are conditioned on the Favré filtered values of the mixture fraction and its variance. Filter widths are selected as fixed multiples of the experimentally determined dissipation length scale at each measurement location. One-dimensional filtering using a top-hat filter is performed to obtain the filtered variables used for conditioning. The FMDFs are obtained by binning the mass and filter kernel weighted samples. Emphasis is placed on the shapes of the FMDFs in the fuel-rich, fuel-lean, and stoichiometric intervals for the Favré filtered mixture fraction, and low, medium, and high values for the Favré filtered mixture fraction variance. It is found that the FMDFs of mixture fraction are unimodal in samples with low mixture fraction variance and bimodal in samples with high variance. However, the FMDFs of mixture fraction at the smallest filter size studied are unimodal for all values of the variance. The FMDFs of temperature are unimodal in samples with low mixture fraction variance, and either unimodal or bimodal, depending on the mixture fraction mean, in samples with high variance. The influence of the filter size and the jet Reynolds number on the FMDFs is also considered. © 2008 The Combustion Institute.
In power generating plants, switchgear provide a means to isolate and de-energize specific electrical components and buses in order to clear downstream faults, perform routine maintenance, and replace necessary electrical equipment. These protective devices may be categorized by the insulating medium, such as air or oil, and are typically specified by voltage classes, i.e. low, medium, and high voltage. Given their high energy content, catastrophic failure of switchgear by means of a high energy arcing fault (HEAF) may occur. An incident such as this may lead to an explosion and fire within the switchgear, directly impact adjacent components, and possibly render dependent electrical equipment inoperable. Historically, HEAF events have been poorly documented and discussed in little detail. Recent incidents involving switchgear components at nuclear power plants, however, were scrupulously investigated. The phenomena itself is only understood on a very elementary level from preliminary experiments and theories; though many have argued that these early experiments were inaccurate due to primitive instrumentation or poorly justified methodologies and thus require re-evaluation. Within the past two decades, however, there has been a resurgence of research that analyzes previous work and modern technology. Developing a greater understanding of the HEAF phenomena, in particular the affects on switchgear equipment and other associated switching components, would allow power generating industries to minimize and possibly prevent future occurrences, thereby reducing costs associated with repair and downtime. This report presents the findings of a literature review focused on arc fault studies for electrical switching equipment. The specific objective of this review was to assess the availability of the types of information needed to support development of improved treatment methods in fire Probabilistic Risk Assessment (PRA) for nuclear power plant applications.