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SNL/CA Environmental Planning and Ecology Program Annual Report 2007

Larsen, Barbara L.

The annual program report provides detailed information about all aspects of the Sandia National Laboratories, California (SNL/CA) Environmental Planning and Ecology Program for a given calendar year. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. The 2006 program report describes the activities undertaken during the past year, and activities planned in future years to implement the Planning and Ecology Program, one of six programs that supports environmental management at SNL/CA.

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Scanning probe recognition microscopy investigation of tissue scaffold properties

International Journal of Nanomedicine

Fan, Yuan; Chen, Qian; Ayres, Virginia M.; Baczewski, Andrew D.; Udpa, Lalita; Kumar, Shiva

Scanning probe recognition microscopy is a new scanning probe microscopy technique which enables selective scanning along individual nanofibers within a tissue scaffold. Statistically significant data for multiple properties can be collected by repetitively fine-scanning an identical region of interest. The results of a scanning probe recognition microscopy investigation of the surface roughness and elasticity of a series of tissue scaffolds are presented. Deconvolution and statistical methods were developed and used for data accuracy along curved nanofiber surfaces. Furthermore, nanofiber features were also independently analyzed using transmission electron microscopy, with results that supported the scanning probe recognition microscopy-based analysis.

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Static and dynamic compaction of ceramic powders

International Journal of Solids and Structures

Vogler, Tracy V.; Lee, Moo Y.; Grady, D.E.

The static and dynamic compaction of ceramic powders was investigated experimentally using a high-pressure friction-compensated press to achieve static stresses of 1.6 GPa and with a novel gas gun setup to stresses of 5.9 GPa for a tungsten carbide powder. Experiments were performed in the partial compaction region to nearly full compaction. The effects of variables including initial density, particle size distribution, particle morphology, and loading path were investigated in the static experiments. Only particle morphology was found to significantly affect the compaction response. Post-test examination of the powder reveals fracture of the grains as well as breaking at particle edges. In dynamic experiments, steady structured compaction waves traveling at very low velocities were observed. The strain rate within the compaction waves was found to scale nearly linearly with the shock stress, in contrast with many fully dense materials where strain rate scales with stress to the fourth power. Similar scaling is found for data from the literature on TiO2 powder. The dynamic response of WC powder is found to be significantly stiffer than the static response, probably because deformation in the dynamic case is confined to the relatively narrow compaction wave front. Comparison of new static powder compaction results with shock data from the literature for SiO2 also reveals a stiffer dynamic response. © 2006 Elsevier Ltd. All rights reserved.

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On the performance of tensor methods for solving ill-conditioned problems

SIAM Journal on Scientific Computing

Bader, Brett W.; Schnabel, Robert B.

This paper investigates the performance of tensor methods for solving small-to large-scale systems of nonlinear equations where the Jacobian matrix at the root is ill-conditioned or singular. This condition occurs on many classes of problems, such as identifying or approaching turning points in path-following problems. The singular case has been studied more than the highly ill-conditioned case, for both Newton and tensor methods. It is known that Newton-based methods do not work well with singular problems because they converge linearly to the solution and, in some cases, with poor accuracy. On the other hand, direct tensor methods have performed well on singular problems and have superlinear convergence on such problems under certain conditions. This behavior originates from the use of a special, restricted form of the second-order term included in the local tensor model that provides information lacking in a (nearly) singular: Jacobian. With several implementations available for large-scale problems, tensor: methods now are capable oi solving larger problems. We compare the performance of tensor methods and Newton-based methods for small-to large-scale problems over a range of conditionings, from well-conditioned to ill-conditioned to singular. Previous studies with tensor methods concerned only the ends of this spectrum. Our results show that tensor methods are increasingly superior to Newton-based methods as the problem grows more ill-conditioned. © 2007 Society for Industrial and Applied Mathematics.

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Geometric correction and digital elevation extraction using multiple MTI datasets

Photogrammetric Engineering and Remote Sensing

Mercier, Jeffrey A.; Schowengerdt, Robert A.; Storey, James C.; Smith, Jody L.

Digital Elevation Models (DEMS) are traditionally acquired from a stereo pair of aerial photographs sequentially captured by an airborne metric camera. Standard DEM extraction techniques can be naturally extended to satellite imagery, but the particular characteristics of satellite imaging can cause difficulties. The spacecraft ephemeris with respect to the ground site during image collects is the most important factor in the elevation extraction process. When the angle of separation between the stereo images is small, the extraction process typically produces measurements with low accuracy, while a large angle of separation can cause an excessive number of erroneous points in the DEM from occlusion of ground areas. The use of three or more images registered to the same ground area can potentially reduce these problems and improve the accuracy of the extracted DEM. The pointing capability of some sensors, such as the Multispectral Thermal Imager (MTI), allows for multiple collects of the same area from different perspectives. This functionality of MTI makes it a good candidate for the implementation of a DEM extraction algorithm using multiple images for improved accuracy. Evaluation of this capability and development of algorithms to geometrically model the MTI sensor and extract DEMs from multi-look MTI imagery are described in this paper. An RMS elevation error of 6.3-meters is achieved using 11 ground test points, while the MTI band has a 5-meter ground sample distance. © 2007 American Society for Photogrammetry and Remote Sensing.

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Development of a removable conformal coating through the synthetic incorporation of Diels-Alder thermally reversible adducts into an epoxy resin

ACS Symposium Series

Aubert, James H.; Tallant, David T.; Sawyer, P.S.; Garcia, Manuel J.

An epoxy-based conformal coating with a very low modulus has been developed for the environmental protection of electronic devices and for stress relief of those devices. The coating was designed to be removable by incorporating thermally-reversible Diels-Alder (D-A) adducts into the epoxy resin utilized in the formulation. The removability of the coating allows us to recover expensive components during development, to rebuild during production, to upgrade the components during their lifetime, to perform surveillance after deployment, and it aids in dismantlement of the components after their lifetime. The removability is the unique feature of this coating and was characterized by modulus versus temperature measurements, dissolution experiments, viscosity quench experiments, and FTIR. Both the viscosity quench experiments and the FTIR measurements allowed us to estimate the equilibrium constant of the D-A adducts in a temperature range from room temperature to 90 °C. © 2007 American Chemical Society.

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Effects of aliasing on numerical integration

Mechanical Systems and Signal Processing

Edwards, Timothy S.

During the course of processing acceleration data from mechanical systems it is often desirable to integrate the data to obtain velocity or displacement waveforms. However, those who have attempted these operations may be painfully aware that the integrated records often yield unrealistic residual values. This is true whether the data has been obtained experimentally or through numerical simulation such as Runge-Kutta integration or the explicit finite element method. In the case of experimentally obtained data, the integration errors are usually blamed on accelerometer zero shift or amplifier saturation. In the case of simulation data, incorrect integrations are often incorrectly blamed on the integration algorithm itself. This work demonstrates that seemingly small aliased content can cause appreciable errors in the integrated waveforms and explores the unavoidable source of aliasing in both experiment and simulation-the sampling operation. Numerical analysts are often puzzled as to why the integrated acceleration from their simulation does not match the displacement output from the same simulation. This work shows that these strange results can be caused by aliasing induced by interpolation of the model output during sampling regularisation. © 2005 Elsevier Ltd. All rights reserved.

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Algebraic multilevel preconditioners for nonsymmetric PDEs on stretched grids

Lecture Notes in Computational Science and Engineering

Sala, Marzio; Lin, Paul L.; Shadid, John N.; Tuminaro, Raymond S.

We report on algebraic multilevel preconditioners for the parallel solution of linear systems arising from a Newton procedure applied to the finite-element (FE) discretization of the incompressible Navier-Stokes equations. We focus on the issue of how to coarsen FE operators produced from high aspect ratio elements.

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Preconditioning of Saddle Point Systems by Substructuring and a Penalty Approach

Lecture Notes in Computational Science and Engineering

Dohrmann, Clark R.

The focus of this paper is a penalty-based strategy for preconditioning elliptic saddle point systems. As the starting point, we consider the regularization approach of Axelsson in which a related linear system, differing only in the (2,2) block of the coefficient matrix, is introduced. By choosing this block to be negative definite, the dual unknowns of the related system can be eliminated resulting in a positive definite primal Schur complement. Rather than solving the Schur complement system exactly, an approximate solution is obtained using a substructuring preconditioner. The approximate primal solution together with the recovered dual solution then define the preconditioned residual for the original system.

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A statistics-based approach to binary image registration with uncertainty analysis

IEEE Transactions on Pattern Analysis and Machine Intelligence

Simonson, Katherine M.; Drescher, Steven M.; Tanner, Franklin R.

A new technique is described for the registration of edge-detected images. While an extensive literature exists on the problem of image registration, few of the current approaches include a well-defined measure of the statistical confidence associated with the solution. Such a measure is essential for many autonomous applications, where registration solutions that are dubious (involving poorly focused images or terrain that is obscured by clouds) must be distinguished from those that are reliable (based on clear images of highly structured scenes). The technique developed herein utilizes straightforward edge pixel matching to determine the "best" among a class of candidate translations. A well-established statistical procedure, the McNemar test, is then applied to identify which other candidate solutions are not significantly worse than the best solution. This allows for the construction of confidence regions in the space of the registration parameters. The approach is validated through a simulation study and examples are provided of its application in numerous challenging scenarios. While the algorithm is limited to solving for two-dimensional translations, its use in validating solutions to higher-order (rigid body, affine) transformation problems is demonstrated. © 2007 IEEE.

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Photoionization mass spectrometric studies and modeling of fuel-rich allene and propyne flames

Proceedings of the Combustion Institute

Hansen, Nils H.; Miller, James A.; Taatjes, Craig A.; Wang, Juan; Cool, Terrill A.; Law, Matthew E.; Westmoreland, Phillip R.

Flame-sampling photoionization mass spectrometry is used for measurements of the absolute molar composition of fuel-rich (φ = 1.8) low-pressure laminar flames of allene and propyne. The experiment combines molecular-beam mass spectrometry with photoionization by tunable vacuum-ultraviolet synchrotron radiation. This approach provides selective detection of individual isomers and unambiguous identifications of other flame species of near-equal mass by near threshold photoionization efficiency measurements. Mole fraction profiles for more than 30 flame species with ion masses ranging from 2 to 78 are presented. The isomeric composition is resolved for most intermediates, for example, mole fraction profiles are presented for both benzene and the fulvene isomer. The results are compared with predictions based on current kinetic models. The mole fractions of the major species are predicted quite accurately, however, some discrepancies are observed for minor species. © 2006 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

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The influence of ethanol addition on premixed fuel-rich propene-oxygen-argon flames

Proceedings of the Combustion Institute

Kohse-Höinghaus, Katharina; Oßwald, Patrick; Struckmeier, Ulf; Kasper, Tina; Hansen, Nils H.; Taatjes, Craig A.; Wang, Juan; Cool, Terrill A.; Gon, Saugata; Westmoreland, Phillip R.

The role of ethanol as a fuel additive was investigated in a fuel-rich, non-sooting (C/O = 0.77) flat premixed propene-oxygen-argon flame at 50 mbar (5 kPa). Mole fractions of stable and radical species were derived using two different in situ molecular beam mass spectrometry (MBMS) set-ups, one located in Bielefeld using electron impact ionization (EI), and the other at the Advanced Light Source (ALS) at Berkeley using vacuum UV photoionization (VUV-PI) with synchrotron radiation. A rich propene flame, previously studied in detail experimentally and with flame model calculations, was chosen as the base flame. Addition of ethanol is believed to reduce the concentrations of benzene and small aromatic compounds, while augmenting the formation of other regulated air toxics such as aldehydes. To study the chemical pathways responsible for these effects, quantitative concentrations of about 35 species were determined from both experiments. This is also the first time that a detailed comparison of quantitative species concentrations from these independent MBMS set-ups is available. Effects of ethanol addition on the species pool are discussed with special attention on benzene precursor chemistry and aldehyde formation. © 2006 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

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Effect of EGR on diesel premixed-burn equivalence ratio

Proceedings of the Combustion Institute

Idicheria, Cherian I.; Pickett, Lyle M.

The effect of exhaust-gas recirculation (EGR) on the equivalence ratio of premixed-burn mixture in diesel combustion was investigated experimentally. The ambient oxygen concentration was systematically decreased from 21% to 10% in a constant-volume combustion vessel to simulate EGR effects in engines. Pressure measurements and time-resolved imaging of high-temperature chemiluminescence were used to characterize the temporal and spatial ignition and premixed burn characteristics of n-heptane diesel jets. With increasing EGR, ignition delay increases and the location of premixed burn occurs further down-stream from the nozzle. Subsequent to first ignition, high temperature reactions stabilize at a quasi-steady lift-off length, showing that lift-off is a bounding parameter for determining premixed-burn region. The equivalence ratio of the fuel-ambient mixture in the premixed-burn region was measured using planar laser Rayleigh scattering. Fuel-oxygen mass distribution functions show that more mass is mixed into the premixed-burn region with increasing EGR, but the equivalence ratio of this mixture is the same. The study shows that an increasing ignition delay with increasing EGR does not necessarily decrease the equivalence ratio as would be desired for reducing soot formation in low-temperature combustion engines. However, measures to improve fuel-ambient mixing, such as shortened injection durations coupled to long ignition delay, could decrease equivalence ratio.

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Quantification of resolution and noise effects on thermal dissipation measurements in turbulent non-premixed jet flames

Proceedings of the Combustion Institute

Wang, G.H.; Barlow, R.S.; Clemens, N.T.

One-dimensional (1-D) line Rayleigh thermometry is used to investigate the effects of spatial resolution and noise on thermal dissipation in turbulent non-premixed CH4/H2/N2 jet flames. The high signal-tonoise ratio and spatial resolution of the measured temperature field enables determination of the cutoff wavenumber in the 1-D temperature dissipation spectrum obtained at each flame location. The local scale inferred from this cutoff is analogous to the Batchelor scale in nonreacting flows. At downstream locations in the flames studied here, it is consistent with estimates of the Batchelor scale based on the scaling laws using local Reynolds numbers. The spectral cutoff information is used to design data analysis schemes for determining mean thermal dissipation. Laminar flame measurements are used to characterize experimental noise and correct for the noise-induced apparent dissipation in the turbulent flame results. These experimentally determined resolution and noise correction techniques are combined to give measurements of the mean thermal dissipation that are essentially fully resolved and noise-free. The prospects of using spectral results from high-resolution 1-D Rayleigh imaging measurements to design filtering schemes for Raman-based measurements of mixture fraction dissipation are also discussed.

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Experimental study of scalar filtered mass density function in turbulent partially premixed flames

Proceedings of the Combustion Institute

Wang, Danhong; Tong, Chenning; Barlow, R.S.; Karpetis, A.N.

The mixture fraction filtered mass density function (FMDF) used in large eddy simulation (LES) of turbulent combustion is studied experimentally using line images obtained in turbulent partially premixed methane flames (Sandia flames D and E). Cross-stream filtering is employed to obtain the FMDF and other filtered variables. The means of the FMDF conditional on the subgrid-scale (SGS) scalar variance at a given location are found to vary from close to Gaussian to bimodal, indicating well-mixed and non-premixed SGS mixing regimes, respectively. The bimodal SGS scalar has a structure (ramp-cliff) similar to the counter-flow model for laminar flamelets. Therefore, while the burden on mixing models to predict the well-mixed SGS scalar is expected to lessen with decreasing filter scale, the burden to predict the bimodal one is not. These SGS scalar structures can result in fluctuations of the SGS flame structure between distributed reaction zones and laminar flamelets, but for reasons different from the scalar dissipation rate fluctuations associated with the turbulence cascade. Furthermore, the bimodal SGS scalar contributes a significant amount of the scalar dissipation in the reaction zones, highlighting its importance and the need for mixing models to predict the bimodal FMDFs. © 2006 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

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Structure of a spatially developing turbulent lean methane-air Bunsen flame

Proceedings of the Combustion Institute

Sankaran, Ramanan; Hawkes, Evatt R.; Chen, Jacqueline H.; Lu, Tianfeng; Law, Chung K.

Direct numerical simulation of a three-dimensional spatially developing turbulent slot-burner Bunsen flame has been performed with a new reduced methane-air mechanism. The mechanism, derived from sequential application of directed relation graph theory, sensitivity analysis and computational singular perturbation over the GRI-1.2 detailed mechanism is non-stiff and tailored to the lean conditions of the DNS. The simulation is performed for three flow through times, long enough to achieve statistical stationarity. The turbulence parameters have been chosen such that the combustion occurs in the thin reaction zones regime of premixed combustion. The data is analyzed to study possible influences of turbulence on the structure of the preheat and reaction zones. The results show that the mean thickness of the turbulent flame, based on progress variable gradient, is greater than the corresponding laminar flame. The effects of flow straining and flame front curvature on the mean flame thickness are quantified through conditional means of the thickness and by examining the balance equation for the evolution of the flame thickness. Finally, conditional mean reaction rate of key species compared to the laminar reaction rate profiles show that there is no significant perturbation of the heat release layer.

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Effects of hydrogen gas on steel vessels and pipelines

Materials for the Hydrogen Economy

Somerday, Brian P.; San Marchi, Christopher W.

Carbon and low-alloy steels are common structural materials for high-pressure hydrogen gas vessels and pipelines. These steels are low cost, and a wide range of properties can be achieved through alloying, processing, and heat treatment.1 Fabricating complex structures such as gas containment vessels and pipelines is readily accomplished with steels since these materials can be formed, welded, and heat treated in large sections.

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Combinatorial scientific computing: The enabling power of discrete algorithms in computational science

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Hendrickson, Bruce A.; Pothen, Alex

Combinatorial algorithms have long played a crucial, albeit under-recognized role in scientific computing. This impact ranges well beyond the familiar applications of graph algorithms in sparse matrices to include mesh generation, optimization, computational biology and chemistry, data analysis and parallelization. Trends in science and in computing suggest strongly that the importance of discrete algorithms in computational science will continue to grow. This paper reviews some of these many past successes and highlights emerging areas of promise and opportunity. © Springer-Verlag Berlin Heidelberg 2007.

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Excitation of electromagnetic flute modes in the process of interaction of plasma flow with inhomogeneous magnetic field

Astrophysics and Space Science

Sotnikov, V.I.; Presura, R.; Ivanov, V.V.; Cowan, T.E.; Leboeuf, J.N.; Oliver, Bryan V.

Laboratory experiments on the interaction of a plasma flow, produced by laser ablation of a solid target with the inhomogeneous magnetic field from the Zebra pulsed power generator demonstrated the presence of strong wave activity in the region of the flow deceleration. The deceleration of the plasma flow can be interpreted as the appearance of a gravity-like force. The drift due to this force can lead to the excitation of flute modes. In this paper a linear dispersion equation for the excitation of electromagnetic flute-type modes with plasma and magnetic field parameters, corresponding to the ongoing experiments is examined. Results indicate that the wavelength of the excited flute modes strongly depends on the strength of the external magnetic field. For magnetic field strengths ∼ 0.1 MG the excited wavelengths are larger than the width of the laser ablated plasma plume and cannot be observed during the experiment. But for magnetic field strengths ∼ 1 MG the excited wavelengths are much smaller and can then be detected. © Springer Science+Business Media B.V. 2007.

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Atomistic simulation of Si/SiO2 interfaces

Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

Van Ginhoven, Renee M.; Hjalmarson, Harold P.

Atomistic models of the Si(1 0 0)/SiO2 interface were generated using a classical reactive force field, and subsequently optimized using density functional theory. The interfaces consist of amorphous oxide bound to crystalline silicon substrate. Each system has a sub-oxide layer of partially oxidized silicon atoms at the interface, and a distribution of oxygen-deficient centers in the oxide. Both periodic and slab configurations are considered. © 2006.

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Ignition and devolatilization of pulverized bituminous coal particles during oxygen/carbon dioxide coal combustion

Proceedings of the Combustion Institute

Molina, Alejandro; Shaddix, Christopher R.

Oxygen/carbon dioxide recycle coal combustion is actively being investigated because of its potential to facilitate CO2 sequestration and to achieve emission reductions. In the work reported here, the effect of enhanced oxygen levels and CO2 bath gas is independently analyzed for their influence on single-particle pulverized coal ignition of a U.S. eastern bituminous coal. The experiments show that the presence of CO2 and a lower O2 concentration increase the ignition delay time but have no measurable effect on the time required to complete volatile combustion, once initiated. For the ignition process observed in the experiments, the CO 2 results are explained by its higher molar specific heat and the O2 results are explained by the effect of O2 concentration on the local mixture reactivity. Particle ignition and devolatilization properties in a mixture of 30% O2 in CO2 are very similar to those in air.

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Driver transition geometries and inductance considerations leading to design guidelines for a Z-IFE power plant

Fusion Science and Technology

Smith, David L.; Mazarakis, Michael G.; Olson, Craig L.

A 70-MA, 7-MV, ∼100-ns driver for a Z-pinch Inertial Fusion Energy (Z-IFE) power plant has been proposed. In this summary we address the transition region between the 70 Linear Transformer Driver (LTD) modules and the center Recyclable Transmission Line (RTL) load section, which convolves from the coaxial vacuum Magnetically Insulated Transmission Lines (MITL) to a parallel tri-plate and then a bi-plate disk feed. An inductive annular chamber terminates one side of the tri-plate in a manner that preserves vacuum and electrical circuit integrity without significant energy losses. The simplicity is offset by the disadvantage of the chamber size, which is proportional to the driver impedance and decreases with the addition of more parallel modules. Inductive isolation chamber sizes are estimated in this paper, based on an optimized LTD equivalent circuit simulation source driving a matched load using transmission line models. We consider the trade-offs between acceptable energy loss and the size of the inductive isolation chamber; accepting a 6% energy loss would only require a 60-nH chamber.

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Detailed characterization of defect production in molecular dynamics simulations of cascades in Si

Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

Foiles, Stephen M.

Numerous molecular dynamics simulation studies of radiation cascades in Si have elucidated many of the general features of the initial defect production. However, the resulting defect structures have been analyzed with techniques that are not sensitive to changes in the local bonding topology. Here the results of analyzing the ring content in Si cascades, in addition to more traditional defect characterization such as Wigner-Seitz cell analysis, will be presented for recoil energies ranging from 25 eV up to 25 keV. The ring content of local amorphous regions in the cascades will be compared to the ring content in simulations of bulk amorphous Si. The number of atoms in the amorphous regions and the number of point defects as a function of recoil energy are determined. © 2006 Elsevier B.V. All rights reserved.

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Large eddy simulation of swirling particle-laden flow in a model axisymmetric combustor

Proceedings of the Combustion Institute

Oefelein, Joseph C.; Sankaran, Vaidyanathan S.; Drozda, Tomasz D.

This paper focuses on the application of the large eddy simulation (LES) technique to a swirling particle-laden flow in a model combustion chamber. A series of calculations have been performed and compared directly with detailed experimental measurements. The computational domain identically matches the laboratory configuration, which effectively isolates effects related to dilute particle dispersion and momentum coupling. Results highlight the predictive capabilities of LES when implemented with the appropriate numerics, grid resolution (as dictated by the class of models employed) and well-defined boundary conditions. The case study provides a clearer understanding of the effectiveness and feasibility of current state-of-the-art models and a quantitative understanding of relevant modeling issues by analyzing the characteristic parameters and scales of importance. The novel feature of the results presented is that they establish a baseline level of confidence in our ability to simulate complex flows at conditions representative of those typically observed in gas-turbine (and similar) combustors. © 2006 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

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Summary of resources available to small water systems for meeting the 10 ppb arsenic drinking water limit

Krumhansl, James L.; Larese, Kathleen C.

With the lowering of the EPA maximum contaminant level of arsenic from 50 parts per billion (ppb) to 10 ppb, many public water systems in the country and in New Mexico in particular, are faced with making decisions about how to bring their system into compliance. This document provides detail on the options available to the water systems and the steps they need to take to achieve compliance with this regulation. Additionally, this document provides extensive resources and reference information for additional outreach support, financing options, vendors for treatment systems, and media pilot project results.

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The evolving story of information assurance at the DoD

Campbell, Philip L.

This document is a review of five documents on information assurance from the Department of Defense (DoD), namely 5200.40, 8510.1-M, 8500.1, 8500.2, and an ''interim'' document on DIACAP [9]. The five documents divide into three sets: (1) 5200.40 & 8510.1-M, (2) 8500.1 & 8500.2, and (3) the interim DIACAP document. The first two sets describe the certification and accreditation process known as ''DITSCAP''; the last two sets describe the certification and accreditation process known as ''DIACAP'' (the second set applies to both processes). Each set of documents describes (1) a process, (2) a systems classification, and (3) a measurement standard. Appendices in this report (a) list the Phases, Activities, and Tasks of DITSCAP, (b) note the discrepancies between 5200.40 and 8510.1-M concerning DITSCAP Tasks and the System Security Authorization Agreement (SSAA), (c) analyze the DIACAP constraints on role fusion and on reporting, (d) map terms shared across the documents, and (e) review three additional documents on information assurance, namely DCID 6/3, NIST 800-37, and COBIT{reg_sign}.

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Biological research survey for the efficient conversion of biomass to biofuels

Kent, Michael S.; Andrews, Katherine M.

The purpose of this four-week late start LDRD was to assess the current status of science and technology with regard to the production of biofuels. The main focus was on production of biodiesel from nonpetroleum sources, mainly vegetable oils and algae, and production of bioethanol from lignocellulosic biomass. One goal was to assess the major technological hurdles for economic production of biofuels for these two approaches. Another goal was to compare the challenges and potential benefits of the two approaches. A third goal was to determine areas of research where Sandia's unique technical capabilities can have a particularly strong impact in these technologies.

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Final report for the ASC gas-powder two-phase flow modeling project AD2006-09

Winters, William S.; Evans, Gregory H.

This report documents activities performed in FY2006 under the ''Gas-Powder Two-Phase Flow Modeling Project'', ASC project AD2006-09. Sandia has a need to understand phenomena related to the transport of powders in systems. This report documents a modeling strategy inspired by powder transport experiments conducted at Sandia in 2002. A baseline gas-powder two-phase flow model, developed under a companion PEM project and implemented into the Sierra code FUEGO, is presented and discussed here. This report also documents a number of computational tests that were conducted to evaluate the accuracy and robustness of the new model. Although considerable progress was made in implementing the complex two-phase flow model, this project has identified two important areas that need further attention. These include the need to compute robust compressible flow solutions for Mach numbers exceeding 0.35 and the need to improve conservation of mass for the powder phase. Recommendations for future work in the area of gas-powder two-phase flow are provided.

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Efficient MATLAB computations with sparse and factored tensors

SIAM Journal on Scientific Computing

Bader, Brett W.

In this paper, the term tensor refers simply to a multidimensional or N-way array, and we consider how specially structured tensors allow for efficient storage and computation. First, we study sparse tensors, which have the property that the vast majority of the elements are zero. We propose storing sparse tensors using coordinate format and describe the computational efficiency of this scheme for various mathematical operations, including those typical to tensor decomposition algorithms. Second, we study factored tensors, which have the property that they can be assembled from more basic components. We consider two specific types: A Tucker tensor can be expressed as the product of a core tensor (which itself may be dense, sparse, or factored) and a matrix along each mode, and a Kruskal tensor can be expressed as the sum of rank-1 tensors. We are interested in the case where the storage of the components is less than the storage of the full tensor, and we demonstrate that many elementary operations can be computed using only the components. All of the efficiencies described in this paper are implemented in the Tensor Toolbox for MATLAB. © 2007 Society for Industrial and Applied Mathematics.

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Nanostructured surfaces for microfluidics and sensing applications

Bell, Nelson S.

The present work demonstrates the use of light to move liquids on a photoresponsive monolayer, providing a new method for delivering analyses in lab-on-chip environments for microfluidic systems. The light-driven motion of liquids was achieved on photoresponsive azobenzene modified surfaces. The surface energy components of azobenzene modified surfaces were calculated by Van Oss theory. The motion of the liquid was achieved by generation of a surface tension gradient by isomerization of azobenzene monolayers using UV and Visible light, thereby establishing a surface energy heterogeneity on the edge of the droplet. Contact angle measurements of various solvents were used to demonstrate the requirement for fluid motion.

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Simulating human behavior for national security human interactions

Bernard, Michael L.; Glickman, Matthew R.; Hart, Derek H.; Xavier, Patrick G.; Verzi, Stephen J.; Wolfenbarger, Paul W.

This 3-year research and development effort focused on what we believe is a significant technical gap in existing modeling and simulation capabilities: the representation of plausible human cognition and behaviors within a dynamic, simulated environment. Specifically, the intent of the ''Simulating Human Behavior for National Security Human Interactions'' project was to demonstrate initial simulated human modeling capability that realistically represents intra- and inter-group interaction behaviors between simulated humans and human-controlled avatars as they respond to their environment. Significant process was made towards simulating human behaviors through the development of a framework that produces realistic characteristics and movement. The simulated humans were created from models designed to be psychologically plausible by being based on robust psychological research and theory. Progress was also made towards enhancing Sandia National Laboratories existing cognitive models to support culturally plausible behaviors that are important in representing group interactions. These models were implemented in the modular, interoperable, and commercially supported Umbra{reg_sign} simulation framework.

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Active assembly for large-scale manufacturing of integrated nanostructures

Bachand, George B.; Orendorff, Christopher O.; McKenzie, Bonnie B.; Bunker, B.C.; Spoerke, Erik D.

Microtubules and motor proteins are protein-based biological agents that work cooperatively to facilitate the organization and transport of nanomaterials within living organisms. This report describes the application of these biological agents as tools in a novel, interdisciplinary scheme for assembling integrated nanostructures. Specifically, selective chemistries were used to direct the favorable adsorption of active motor proteins onto lithographically-defined gold electrodes. Taking advantage of the specific affinity these motor proteins have for microtubules, the motor proteins were used to capture polymerized microtubules out of suspension to form dense patterns of microtubules and microtubule bridges between gold electrodes. These microtubules were then used as biofunctionalized templates to direct the organization of functionalized nanocargo including single-walled carbon nanotubes and gold nanoparticles. This biologically-mediated scheme for nanomaterials assembly has shown excellent promise as a foundation for developing new biohybrid approaches to nanoscale manufacturing.

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Adaptive Peircean decision aid project summary assessments

Senglaub, Michael E.

This efforts objective was to identify and hybridize a suite of technologies enabling the development of predictive decision aids for use principally in combat environments but also in any complex information terrain. The technologies required included formal concept analysis for knowledge representation and information operations, Peircean reasoning to support hypothesis generation, Mill's's canons to begin defining information operators that support the first two technologies and co-evolutionary game theory to provide the environment/domain to assess predictions from the reasoning engines. The intended application domain is the IED problem because of its inherent evolutionary nature. While a fully functioning integrated algorithm was not achieved the hybridization and demonstration of the technologies was accomplished and demonstration of utility provided for a number of ancillary queries.

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Separation of p-Xylene from Multicomponent Vapor Mixtures using Tubular MFI Zeolite Membranes

Studies in Surface Science and Catalysis

Gu, Xuehong; Dong, Junhang; Nenoff, Tina M.; Ozokwelu, Dickson E.

MFI zeolite membranes have been synthesized on tubular α-alumina substrates to investigate the separation of p-xylene (PX) from m-xylene (MX) and o-xylene (OX) in multicomponent mixtures and ranges of feed pressure and operating temperature. 1,3,5-triisopropylbenzene was added to the feed stream for online membrane modification. Separation of PX from MX and OX through the MFI membranes relies primarily on shape-selectivity when the xylene sorption level in the zeolite is sufficiently low. For an eight-component mixture containing hydrogen, hydrocarbons, PX, MX, and OX, PX/(MX+OX) selectivity of 7.71 with PX flux of 6.8×10-6mol/m2.s was obtained at 250°C and atmospheric feed pressure. © 2007 Elsevier B.V. All rights reserved.

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Defect-related internal dissipation in mechanical resonators and the study of coupled mechanical systems

Sullivan, J.P.; Czaplewski, David A.; Friedmann, Thomas A.; Modine, N.A.; Wendt, J.R.

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Generalization of von Neumann analysis for a model of two discrete half-spaces: The acoustic case

Geophysics

Haney, Matthew M.

Evaluating the performance of finite-difference algorithms typically uses a technique known as von Neumann analysis. For a given algorithm, application of the technique yields both a dispersion relation valid for the discrete time-space grid and a mathematical condition for stability. In practice, a major shortcoming of conventional von Neumann analysis is that it can be applied only to an idealized numerical model - that of an infinite, homogeneous whole space. Experience has shown that numerical instabilities often arise in finite-difference simulations of wave propagation at interfaces with strong material contrasts. These interface instabilities occur even though the conventional von Neumann stability criterion may be satisfied at each point of the numerical model. To address this issue, I generalize von Neumann analysis for a model of two half-spaces. I perform the analysis for the case of acoustic wave propagation using a standard staggered-grid finite-difference numerical scheme. By deriving expressions for the discrete reflection and transmission coefficients, I study under what conditions the discrete reflection and transmission coefficients become unbounded. I find that instabilities encountered in numerical modeling near interfaces with strong material contrasts are linked to these cases and develop a modified stability criterion that takes into account the resulting instabilities. I test and verify the stability criterion by executing a finite-difference algorithm under conditions predicted to be stable and unstable. © 2007 Society of Exploration Geophysicists.

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Structural integrity analysis of the degraded drywell containment at the Oyster Creek Nuclear generating station

Petti, Jason P.

This study examines the effects of the degradation experienced in the steel drywell containment at the Oyster Creek Nuclear Generating Station. Specifically, the structural integrity of the containment shell is examined in terms of the stress limits using the ASME Boiler and Pressure Vessel (B&PV) Code, Section III, Division I, Subsection NE, and examined in terms of buckling (stability) using the ASME B&PV Code Case N-284. Degradation of the steel containment shell (drywell) at Oyster Creek was first observed during an outage in the mid-1980s. Subsequent inspections discovered reductions in the shell thickness due to corrosion throughout the containment. Specifically, significant corrosion occurred in the sandbed region of the lower sphere. Since the presence of the wet sand provided an environment which supported corrosion, a series of analyses were conducted by GE Nuclear Energy in the early 1990s. These analyses examined the effects of the degradation on the structural integrity. The current study adopts many of the same assumptions and data used in the previous GE study. However, the additional computational recourses available today enable the construction of a larger and more sophisticated structural model.

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Recyclable transmission line (RTL) and linear transformer driver (LTD) development for Z-pinch inertial fusion energy (Z-IFE) and high yield

Olson, Craig L.

Z-Pinch Inertial Fusion Energy (Z-IFE) complements and extends the single-shot z-pinch fusion program on Z to a repetitive, high-yield, power plant scenario that can be used for the production of electricity, transmutation of nuclear waste, and hydrogen production, all with no CO{sub 2} production and no long-lived radioactive nuclear waste. The Z-IFE concept uses a Linear Transformer Driver (LTD) accelerator, and a Recyclable Transmission Line (RTL) to connect the LTD driver to a high-yield fusion target inside a thick-liquid-wall power plant chamber. Results of RTL and LTD research are reported here, that include: (1) The key physics issues for RTLs involve the power flow at the high linear current densities that occur near the target (up to 5 MA/cm). These issues include surface heating, melting, ablation, plasma formation, electron flow, magnetic insulation, conductivity changes, magnetic field diffusion changes, possible ion flow, and RTL mass motion. These issues are studied theoretically, computationally (with the ALEGRA and LSP codes), and will work at 5 MA/cm or higher, with anode-cathode gaps as small as 2 mm. (2) An RTL misalignment sensitivity study has been performed using a 3D circuit model. Results show very small load current variations for significant RTL misalignments. (3) The key structural issues for RTLs involve optimizing the RTL strength (varying shape, ribs, etc.) while minimizing the RTL mass. Optimization studies show RTL mass reductions by factors of three or more. (4) Fabrication and pressure testing of Z-PoP (Proof-of-Principle) size RTLs are successfully reported here. (5) Modeling of the effect of initial RTL imperfections on the buckling pressure has been performed. Results show that the curved RTL offers a much greater buckling pressure as well as less sensitivity to imperfections than three other RTL designs. (6) Repetitive operation of a 0.5 MA, 100 kV, 100 ns, LTD cavity with gas purging between shots and automated operation is demonstrated at the SNL Z-IFE LTD laboratory with rep-rates up to 10.3 seconds between shots (this is essentially at the goal of 10 seconds for Z-IFE). (7) A single LTD switch at Tomsk was fired repetitively every 12 seconds for 36,000 shots with no failures. (8) Five 1.0 MA, 100 kV, 100 ns, LTD cavities have been combined into a voltage adder configuration with a test load to successfully study the system operation. (9) The combination of multiple LTD coaxial lines into a tri-plate transmission line is examined. The 3D Quicksilver code is used to study the electron flow losses produced near the magnetic nulls that occur where coax LTD lines are added together. (10) Circuit model codes are used to model the complete power flow circuit with an inductive isolator cavity. (11) LTD architectures are presented for drivers for Z-IFE and high yield. A 60 MA LTD driver and a 90 MA LTD driver are proposed. Present results from all of these power flow studies validate the whole LTD/RTL concept for single-shot ICF high yield, and for repetitive-shot IFE.

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VCSEL polarization control for chip-scale atomic clocks

Keeler, Gordon A.; Geib, K.M.; Serkland, Darwin K.; Peake, Gregory M.; Wendt, J.R.

Sandia National Laboratories and Mytek, LLC have collaborated to develop a monolithically-integrated vertical-cavity surface-emitting laser (VCSEL) assembly with controllable polarization states suitable for use in chip-scale atomic clocks. During the course of this work, a robust technique to provide polarization control was modeled and demonstrated. The technique uses deeply-etched surface gratings oriented at several different rotational angles to provide VCSEL polarization stability. A rigorous coupled-wave analysis (RCWA) model was used to optimize the design for high polarization selectivity and fabrication tolerance. The new approach to VCSEL polarization control may be useful in a number of defense and commercial applications, including chip-scale atomic clocks and other low-power atomic sensors.

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CARS thermometry in a 2-m-diameter methanol pool fire

Collection of Technical Papers - 45th AIAA Aerospace Sciences Meeting

Kearney, Scan P.; Grasser, Thomas W.

We report what is believed to be the first application of coherent anti-Stokes Raman scattering (CARS) to full-scale fire testing. A CARS instrument has been constructed at the newly commissioned FLAME (Fire Laboratory for Accreditation of Models and Experiments) facility at Sandia, where the CARS system has been used for thermometry in 2-m-diameter, turbulent methanol pool fires. Fielding of CARS in such a large-scale facility presents several challenges, including long-distance propagation of laser beams, shielding of optics from intense heat, the impact of beam steering and fiber-optic coupling of the CARS signal to remotely located detection equipment. The details of a CARS instrument that meets these challenges are presented, along with the construction of the unique new FLAME facility itself, which has been designed to accommodate optical and laser-based diagnostics to full-scale fire experimentation. The performance of the CARS instrument is investigated in a premixed methane-air flat flame to estimate the precision in single-shot CARS temperatures. Single-shot CARS spectra and best-fit temperatures from a methanol pool fire are presented, and an estimate of the pdf of the temperature fluctuations from the pool-fire environment is obtained.

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Chemical analyses of soil samples collected from the vicinity of the thermal test complex at Sandia National Laboratories, New Mexico environs, 2006

Michel, Danielle M.

In the summer of 2006, the Environmental Programs and Assurance Department of Sandia National Laboratories in Albuquerque, New Mexico (SNL/NM), collected surface soil samples at 37 locations within one mile of the vicinity of the newly constructed Thermal Test Complex (TTC) for the purpose of determining baseline conditions against which potential future impacts to the environs from operations at the facility could be assessed. These samples were submitted to an offsite analytical laboratory for metal-in-soil analyses. This work provided the SNL Environmental Programs and Assurance Department with a sound baseline data reference set against which to assess potential future operational impacts at the TTC. In addition, it demonstrates the commitment that the Laboratories have to go beyond mere compliance to achieve excellence in its operations. This data are presented in graphical format with narrative commentaries on particular items of interest.

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Taiwan industrial cooperation program technology transfer for low-level radioactive waste final disposal - phase I

Arnold, Bill W.; Knowlton, Robert G.; Schelling, Frank J.; Mattie, Patrick D.; Cochran, John R.; Jow, H.N.

Sandia National Laboratories and the Institute of Nuclear Energy Research, Taiwan have collaborated in a technology transfer program related to low-level radioactive waste (LLW) disposal in Taiwan. Phase I of this program included regulatory analysis of LLW final disposal, development of LLW disposal performance assessment capabilities, and preliminary performance assessments of two potential disposal sites. Performance objectives were based on regulations in Taiwan and comparisons to those in the United States. Probabilistic performance assessment models were constructed based on limited site data using software including GoldSim, BLT-MS, FEHM, and HELP. These software codes provided the probabilistic framework, container degradation, waste-form leaching, groundwater flow, radionuclide transport, and cover infiltration simulation capabilities in the performance assessment. Preliminary performance assessment analyses were conducted for a near-surface disposal system and a mined cavern disposal system at two representative sites in Taiwan. Results of example calculations indicate peak simulated concentrations to a receptor within a few hundred years of LLW disposal, primarily from highly soluble, non-sorbing radionuclides.

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Radical advancement in multi-spectral imaging for autonomous vehicles (UAVs, UGVs, and UUVs) using active compensation

Bagwell, Brett B.; Clark, Brian F.

The purpose of this LDRD was to demonstrate a compact, multi-spectral, refractive imaging systems using active optical compensation. Compared to a comparable, conventional lens system, our system has an increased operational bandwidth, provides for spectral selectivity and, non-mechanically corrects aberrations induced by the wavelength dependent properties of a passive refractive optical element (i.e. lens). The compact nature and low power requirements of the system lends itself to small platforms such as autonomous vehicles. In addition, the broad spectral bandwidth of our system would allow optimized performance for both day/night use, and the multi-spectral capability allows for spectral discrimination and signature identification.

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Probabilistic performance-assessment modeling of the mixed waste landfill at Sandia National Laboratories

Ho, Clifford K.; Miller, Mark L.; Peace, Gerald L.

A probabilistic performance assessment has been conducted to evaluate the fate and transport of radionuclides (americium-241, cesium-137, cobalt-60, plutonium-238, plutonium-239, radium-226, radon-222, strontium-90, thorium-232, tritium, uranium-238), heavy metals (lead and cadmium), and volatile organic compounds (VOCs) at the Mixed Waste Landfill (MWL). Probabilistic analyses were performed to quantify uncertainties inherent in the system and models for a 1,000-year period, and sensitivity analyses were performed to identify parameters and processes that were most important to the simulated performance metrics. Comparisons between simulated results and measured values at the MWL were made to gain confidence in the models and perform calibrations when data were available. In addition, long-term monitoring requirements and triggers were recommended based on the results of the quantified uncertainty and sensitivity analyses.

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Towards a predictive MHD simulation capability for designing hypervelocity magnetically-driven flyer plates and PWclass z-pinch x-ray sources on Z and ZR

Mehlhorn, Thomas A.; Yu, Edmund Y.; Vesey, Roger A.; Cuneo, M.E.; Jones, Brent M.; Knudson, Marcus D.; Sinars, Daniel S.; Robinson, Allen C.; Trucano, Timothy G.; Brunner, Thomas A.; Desjarlais, Michael P.; Garasi, Christopher J.; Haill, Thomas A.; Hanshaw, Heath L.; Lemke, Raymond W.; Oliver, Bryan V.; Peterson, Kyle J.

Abstract not provided.

Quasi-spherical direct drive fusion

Nash, Thomas J.; McDaniel, Dillon H.; Langston, William L.

The authors present designs of quasi-spherical direction drive z-pinch loads for machines such as ZR at 28 MA load current with a 150 ns implosion time (QSDDI). A double shell system for ZR has produced a 2D simulated yield of 12 MJ, but the drive for this system on ZR has essentially no margin. A double shell system for a 56 MA driver at 150 ns implosion has produced a simulated yield of 130 MJ with considerable margin in attaining the necessary temperature and density-radius product for ignition. They also represent designs for a magnetically insulated current amplifier, (MICA), that modify the attainable ZR load current to 36 MA with a 28 ns rise time. The faster pulse provided by a MICA makes it possible to drive quasi-spherical single shell implosions (QSDD2). They present results from 1D LASNEX and 2D MACH2 simulations of promising low-adiabat cryogenic QSDD2 capsules and 1D LASNEX results of high-adiabat cryogenic QSDD2 capsules.

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Inversion of Masing models via continuous Iwan systems

Proposed for publication in the Journal of Engineering Mechanics.

Starr, Michael J.; Segalman, Daniel J.

It is shown that for any material or structural model expressible as a Masing model, there exists a unique parallel-series (displacement-based) Iwan system that characterizes that model as a function of displacement history. This poses advantages both in terms of more convenient force evaluation in arbitrary deformation histories as well as in terms of model inversion. Characterization as an Iwan system is demonstrated through the inversion of the Ramberg-Osgood model, a force(stress)-based material model that is not explicitly invertible. An implication of the inversion process is that direct, rigorous comparisons of different Masing models, regardless of the ability to invert their constitutive relationship, can be achieved through the comparison of their associated Iwan distribution densities.

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Practical considerations in empirical probability of detection study design

Materials Evaluation

Spencer, Floyd W.

The purposes of a POD study often go beyond the estimation of a single curve based on discontinuity size. The larger goals of a particular POD study will dictate the need for additional planning beyond just deciding on the number of discontinuities and discontinuity-free areas to be included in a test specimen set. The bigger concerns lead to implementation issues that need to be planned for and fully specified prior to the collection of data. These bigger issues have been discussed under the general program areas of experimental design, protocol development and logistic and dress rehearsal. Two different programs were also summarized. Each program led to very different experimental plans. However, the common element in these programs was the use of the POD study as the basic metric for establishing capabilities and important influencing factors. Both programs were developed under the guidelines noted and referenced. Results from these studies are discussed in more detail in Spencer (2007).

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Design tools for complex dynamic security systems

Byrne, Raymond H.; Wilson, David G.; Groom, Kenneth N.; Robinett, R.D.; Harrington, John J.; Rigdon, James B.; Rohrer, Brandon R.; Laguna, Glenn A.

The development of tools for complex dynamic security systems is not a straight forward engineering task but, rather, a scientific task where discovery of new scientific principles and math is necessary. For years, scientists have observed complex behavior but have had difficulty understanding it. Prominent examples include: insect colony organization, the stock market, molecular interactions, fractals, and emergent behavior. Engineering such systems will be an even greater challenge. This report explores four tools for engineered complex dynamic security systems: Partially Observable Markov Decision Process, Percolation Theory, Graph Theory, and Exergy/Entropy Theory. Additionally, enabling hardware technology for next generation security systems are described: a 100 node wireless sensor network, unmanned ground vehicle and unmanned aerial vehicle.

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Boolean dynamics of genetic regulatory networks inferred from microarray time series data

Bioinformatics

Martin, Shawn; Zhang, Zhaoduo Z.; Martino, Anthony M.; Faulon, Jean-Loup M.

Motivation: Methods available for the inference of genetic regulatory networks strive to produce a single network, usually by optimizing some quantity to fit the experimental observations. In this article we investigate the possibility that multiple networks can be inferred, all resulting in similar dynamics. This idea is motivated by theoretical work which suggests that biological networks are robust and adaptable to change, and that the overall behavior of a genetic regulatory network might be captured in terms of dynamical basins of attraction. Results: We have developed and implemented a method for inferring genetic regulatory networks for time series microarray data. Our method first clusters and discretizes the gene expression data using k-means and support vector regression. We then enumerate Boolean activation-inhibition networks to match the discretized data. Finally, the dynamics of the Boolean networks are examined. We have tested our method on two immunology microarray datasets: an IL-2-stimulated T cell response dataset and a LPS-stimulated macrophage response dataset. In both cases, we discovered that many networks matched the data, and that most of these networks had similar dynamics. © The Author 2007. Published by Oxford University Press. All rights reserved.

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High-fidelity simulation of the influence of local geometry on mixing in crosses in water distribution systems

Restoring Our Natural Habitat - Proceedings of the 2007 World Environmental and Water Resources Congress

Webb, Stephen W.

Network simulation models for water distribution systems typically assume the mixing at pipe intersections is complete and instantaneous. Recent data show that mixing may be incomplete at pipe junctions (pipe crosses and tees) under most conditions. In general, computational fluid dynamic (CFD) simulations agree with the experimental data, establishing confidence in the CFD approach for application to other situations. However, in the case of unequal inlet flow rates and equal outlet flow rates in a cross, the simulation results and experimental data show significantly different results. The reasons for this discrepancy are investigated, and a revised model is developed that is consistent with the experimental data. © 2007 ASCE.

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Results 81001–81200 of 96,771
Results 81001–81200 of 96,771