A rigorous computational fluid dynamics (CFD) approach to calculating temperature distributions, radiative and convective losses, and flow fields in a cavity receiver irradiated by a heliostat field is typically limited to the receiver domain alone for computational reasons. A CFD simulation cannot realistically yield a precise solution that includes the details within the vast domain of an entire heliostat field in addition to the detailed processes and features within a cavity receiver. Instead, the incoming field irradiance can be represented as a boundary condition on the receiver domain. This paper describes a program, the Solar Patch Calculator, written in Microsoft Excel VBA to characterize multiple beams emanating from a 'solar patch' located at the aperture of a cavity receiver, in order to represent the incoming irradiance from any field of heliostats as a boundary condition on the receiver domain. This program accounts for cosine losses; receiver location; heliostat reflectivity, areas and locations; field location; time of day and day of year. This paper also describes the implementation of the boundary conditions calculated by this program into a Discrete Ordinates radiation model using Ansys{reg_sign} FLUENT (www.fluent.com), and compares the results to experimental data and to results generated by the code DELSOL.
A method is obtained for deriving peridynamic material models for a sequence of increasingly coarsened descriptions of a body. The starting point is a known detailed, small scale linearized state-based description. Each successively coarsened model excludes some of the aterial present in the previous model, and the length scale increases accordingly. This excluded material, while not present explicitly in the coarsened model, is nevertheless taken into account implicitly through its effect on the forces in the coarsened material. Numerical examples emonstrate that the method accurately reproduces the effective elastic properties of a composite as well as the effect of a small defect in a homogeneous medium.
Simulations are in excellent agreement with experiments: structure - Matzke, shear modulus - Princen and Kiss E = 3.30 {sigma}/R{sub 32} = 5.32/(1 + p) {sigma}/(V){sup 1/2}, G {approx} 0.155 E = 0.512 {sigma}/R{sub 32}. IPP theory captures dependence of cell geometry on V and F. Future challenges are: simulating simple shearing flow is very expensive because of frequent topological transitions. Random wet foams require very large simulations.
This talk will discuss Sandia's Global Security Program focused on reducing proliferation and terrorism threats to U.S. national security through global technical engagement. Elements include nuclear and radiological risks, biological and chemical risks, and multi-threat risk reduction. Also, recent work addressing the need to better integrate nonproliferation, arms control, counterterrorism, and nuclear deterrent objectives will be discussed.
An anisotropy in the response of crystalline organic scintillators such as anthracene to neutron elastic scattering interactions has been known for some time. Both the amplitude and the time structure of the scintillation light pulse vary with the direction of the proton recoil with respect to the crystalline axes. In principle, this effect could be exploited to develop compact, high-efficiency fast neutron detectors that have directional sensitivity via a precise measurement of the pulse shape. We are investigating the feasibility and sensitivity of such a detector, particularly for neutrons in the fission energy spectrum. Here we will report new measurements of the pulse shape dependence on proton recoil angle in anthracene and stilbene single crystals, for proton energies in the few MeV range. Digital pulse acquisition and processing are used to allow an exploration of different pulse shape analysis techniques.
The national laboratories global security programs implement sustainable technical solutions for cooperative nonproliferation, arms control, and physical security systems worldwide. To help in the development and execution of these programs, a wide range of analytical tools are used to model, for example, synthetic tactical environments for assessing infrastructure protection initiatives and tactics, systematic approaches for prioritizing nuclear and biological threat reduction opportunities worldwide, and nuclear fuel cycle enrichment and spent fuel management for nuclear power countries. This presentation will describe how these models are used in analyses to support the Obama Administration's agenda and bilateral/multinational treaties, and ultimately, to reduce weapons of mass destruction and terrorism threats through international technical cooperation.
The Neutron Scatter Camera (NSC) can image fission sources and determine their energy spectra at distances of tens of meters and through significant thicknesses of intervening materials in relatively short times [1]. We recently completed a 32 element scatter camera and will present recent advances made with this instrument. A novel capability for the scatter camera is dual mode imaging. In normal neutron imaging mode we identify and image neutron events using pulse shape discrimination (PSD) and time of flight in liquid scintillator. Similarly gamma rays are identified from Compton scatter in the front and rear planes for our segmented detector. Rather than reject these events, we show it is possible to construct a gamma-ray image by running the analysis in a 'Compton mode'. Instead of calculating the scattering angle by the kinematics of elastic scatters as is appropriate for neutron events, it can be found by the kinematics of Compton scatters. Our scatter camera has not been optimized as a Compton gamma-ray imager but is found to work reasonably. We studied imaging performance using a Cs137 source. We find that we are able to image the gamma source with reasonable fidelity. We are able to determine gamma energy after some reasonable assumptions. We will detail the various algorithms we have developed for gamma image reconstruction. We will outline areas for improvement, include additional results and compare neutron and gamma mode imaging.
This paper focuses on the extraction of skeletons of CAD models and its applications in finite element (FE) mesh generation. The term 'skeleton of a CAD model' can be visualized as analogous to the 'skeleton of a human body'. The skeletal representations covered in this paper include medial axis transform (MAT), Voronoi diagram (VD), chordal axis transform (CAT), mid surface, digital skeletons, and disconnected skeletons. In the literature, the properties of a skeleton have been utilized in developing various algorithms for extracting skeletons. Three main approaches include: (1) the bisection method where the skeleton exists at equidistant from at least two points on boundary, (2) the grassfire propagation method in which the skeleton exists where the opposing fronts meet, and (3) the duality method where the skeleton is a dual of the object. In the last decade, the author has applied different skeletal representations in all-quad meshing, hex meshing, mid-surface meshing, mesh size function generation, defeaturing, and decomposition. A brief discussion on the related work from other researchers in the area of tri meshing, tet meshing, and anisotropic meshing is also included. This paper concludes by summarizing the strengths and weaknesses of the skeleton-based approaches in solving various geometry-centered problems in FE mesh generation. The skeletons have proved to be a great shape abstraction tool in analyzing the geometric complexity of CAD models as they are symmetric, simpler (reduced dimension), and provide local thickness information. However, skeletons generally require some cleanup, and stability and sensitivity of the skeletons should be controlled during extraction. Also, selecting a suitable application-specific skeleton and a computationally efficient method of extraction is critical.
This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce Users Guide.
The Xyce Parallel Electronic Simulator has been written to support, in a rigorous manner, the simulation needs of the Sandia National Laboratories electrical designers. Specific requirements include, among others, the ability to solve extremely large circuit problems by supporting large-scale parallel computing platforms, improved numerical performance and object-oriented code design and implementation. The Xyce release notes describe: Hardware and software requirements New features and enhancements Any defects fixed since the last release Current known defects and defect workarounds For up-to-date information not available at the time these notes were produced, please visit the Xyce web page at http://www.cs.sandia.gov/xyce.
The noble gas xenon is a particularly interesting element. At standard pressure xenon is an fcc solid which melts at 161 K and then boils at 165 K, thus displaying a rather narrow liquid range on the phase diagram. On the other hand, under pressure the melting point is significantly higher: 3000 K at 30 GPa. Under shock compression, electronic excitations become important at 40 GPa. Finally, xenon forms stable molecules with fluorine (XeF{sub 2}) suggesting that the electronic structure is significantly more complex than expected for a noble gas. With these reasons in mind, we studied the xenon Hugoniot using DFT/QMD and validated the simulations with multi-Mbar shock compression experiments. The results show that existing equation of state models lack fidelity and so we developed a wide-range free-energy based equation of state using experimental data and results from first-principles simulations.
Generating circular polarization for ultra-intense lasers requires solutions beyond traditional transmissive waveplates which have insufficient bandwidth and pose nonlinear phase (B-integral) problems. We demonstrate a reflective design employing 3 metallic mirrors to generate circular polarization.
Accurate Performance Models are Critical to Project Development and Technology Evaluation - Accuracy and Uncertainty of Commonly-Used Models Unknown and Models Disagree. A Model Evaluation Process Has Been Developed with Industry, and High-Quality Weather and System Performance Data Sets Have Been Collected: (1) Evaluation is Underway using Residual Analysis of Hourly and Sub-Hourly Data for Clear and Diffuse Climates to Evaluate and Improve Models; and (2) Initial Results Have Been or Will Soon Be Presented at Key Conferences. Evaluation of Widely-Used Module, Inverter, and Irradiance Models, Including Those in SAM, PVWatts, and PVSyst, Will Be Completed This Year. Stochastic Modeling Has Been Performed to Support Reliability Task and Will Add Value to Parametric Analysis. An Industry Workshop will be Held This Fall To Review Results, Set Priorities. Support and Analysis has been Provided for TPP's, SETP, and PV Community. Goals for Future Work Include: (1) Improving Understanding of and Validating System Derate Factors; and (2) Developing a Dynamic Electrical Model of Arrays with Shaded or Mismatched Modules to Support Transient Analysis of Large Fields.
Several studies predict an economic benefit of using nitrate-based salts instead of the current synthetic oil within a solar parabolic trough field. However, the expected economic benefit can only be realized if the reliability and optical performance of the salt trough system is comparable to today's oil trough. Of primary concern is whether a salt-freeze accident and subsequent thaw will lead to damage of the heat collection elements (HCEs). This topic was investigated by experiments and analytical analysis. Results to date suggest that damage will not occur if the HCEs are not completely filled with salt. However, if the HCE is completely filled at the time of the freeze, the subsequent thaw can lead to plastic deformation and significant bending of the absorber tube.
The inclusion of computer simulations in the study and design of complex engineering systems has created a need for efficient approaches to simulation-based optimization. For example, in water resources management problems, optimization problems regularly consist of objective functions and constraints that rely on output from a PDE-based simulator. Various assumptions can be made to simplify either the objective function or the physical system so that gradient-based methods apply, however the incorporation of realistic objection functions can be accomplished given the availability of derivative-free optimization methods. A wide variety of derivative-free methods exist and each method has both advantages and disadvantages. Therefore, to address such problems, we propose a hybrid approach, which allows the combining of beneficial elements of multiple methods in order to more efficiently search the design space. Specifically, in this paper, we illustrate the capabilities of two novel algorithms; one which hybridizes pattern search optimization with Gaussian Process emulation and the other which hybridizes pattern search and a genetic algorithm. We describe the hybrid methods and give some numerical results for a hydrological application which illustrate that the hybrids find an optimal solution under conditions for which traditional optimal search methods fail.
Developing quantum chemistry programs on the coming generation of exascale computers will be a difficult task. The programs will need to be fault-tolerant and minimize the use of global operations. This work explores the use a task-based model that uses a data-centric approach to allocate work to different processes as it applies to quantum chemistry. After introducing the key problems that appear when trying to parallelize a complicated quantum chemistry method such as coupled-cluster theory, we discuss the implications of that model as it pertains to the computational kernel of a coupled-cluster program - matrix multiplication. Also, we discuss the extensions that would required to build a full coupled-cluster program using the task-based model. Current programming models for high-performance computing are fault-intolerant and use global operations. Those properties are unsustainable as computers scale to millions of CPUs; instead one must recognize that these systems will be hierarchical in structure, prone to constant faults, and global operations will be infeasible. The FAST-OS HARE project is introducing a scale-free computing model to address these issues. This model is hierarchical and fault-tolerant by design, allows for the clean overlap of computation and communication, reducing the network load, does not require checkpointing, and avoids the complexity of many HPC runtimes. Development of an algorithm within this model requires a change in focus from imperative programming to a data-centric approach. Quantum chemistry (QC) algorithms, in particular electronic structure methods, are an ideal test bed for this computing model. These methods describe the distribution of electrons in a molecule, which determine the properties of the molecule. The computational cost of these methods is high, scaling quartically or higher in the size of the molecule, which is why QC applications are major users of HPC resources. The complexity of these algorithms means that MPI alone is insufficient to achieve parallel scaling; QC developers have been forced to use alternative approaches to achieve scalability and would be receptive to radical shifts in the programming paradigm. Initial work in adapting the simplest QC method, Hartree-Fock, to this the new programming model indicates that the approach is beneficial for QC applications. However, the advantages to being able to scale to exascale computers are greatest for the computationally most expensive algorithms; within QC these are the high-accuracy coupled-cluster (CC) methods. Parallel coupledcluster programs are available, however they are based on the conventional MPI paradigm. Much of the effort is spent handling the complicated data dependencies between the various processors, especially as the size of the problem becomes large. The current paradigm will not survive the move to exascale computers. Here we discuss the initial steps toward designing and implementing a CC method within this model. First, we introduce the general concepts behind a CC method, focusing on the aspects that make these methods difficult to parallelize with conventional techniques. Then we outline what is the computational core of the CC method - a matrix multiply - within the task-based approach that the FAST-OS project is designed to take advantage of. Finally we outline the general setup to implement the simplest CC method in this model, linearized CC doubles (LinCC).
We will present results of the design, operation, and performance of surface ion micro-traps fabricated at Sandia. Recent progress in the testing of the micro-traps will be highlighted, including successful motional control of ions and the validation of simulations with experiments.
Semiconductor saturable absorbers (SESAs) introduce loss into a solid-state laser cavity until the cavity field bleaches the absorber producing a high-energy pulse. Multiple quantum wells (MQWs) of AlGaInAs grown lattice-matched to InP have characteristics that make them attractive for SESAs. The band gap can be tuned around the target wavelength, 1064 nm, and the large conduction band offset relative to the AlInAs barrier material helps reduces the saturation fluence, and transparent substrate reduces nonsaturable losses. We have characterized the lifetime of the bleaching process, the modulation depth, the nonsaturable losses, and the saturation fluence associated with SESAs. We compare different growth conditions and structure designs. These parameters give insight into the quality of the epitaxy and effect structure design has on SESA performance in a laser cavity. AlGaInAs MQWs were grown by MOVPE using a Veeco D125 machine using methyl-substituted metal-organics and hydride sources at a growth temperature of 660 C at a pressure of 60 Torr. A single period of the basic SESA design consists of approximately 130 to 140 nm of AlInAs barrier followed by two AlGaInAs quantum wells separated by 10 nm AlInAs. This design places the QWs near the nodes of the 1064-nm laser cavity standing wave. Structures consisting of 10-, 20-, and 30-periods were grown and evaluated. The SESAs were measured at 1064 nm using an optical pump-probe technique. The absorbance bleaching lifetime varies from 160 to 300 nsec. The nonsaturable loss was as much as 50% for structures grown on n-type, sulfur-doped InP substrates, but was reduced to 16% when compensated, Fe-doped InP substrates were used. The modulation depth of the SESAs increased linearly from 9% to 30% with the number of periods. We are currently investigating how detuning the QW transition energy impacts the bleaching characteristics. We will discuss how each of these parameters impacts the laser performance.
Fluids with higher thermal conductivities are sought for fluidic cooling systems in applications including microprocessors and high-power lasers. By adding high thermal conductivity nanoscale metal and metal oxide particles to a fluid the thermal conductivity of the fluid is enhanced. While particle aggregates play a central role in recent models for the thermal conductivity of nanofluids, the effect of particle diffusion in a temperature field on the aggregation and transport has yet to be studied in depth. The present work separates the effects of particle aggregation and diffusion using parallel plate experiments, infrared microscopy, light scattering, Monte Carlo simulations, and rate equations for particle and heat transport in a well dispersed nanofluid. Experimental data show non-uniform temporal increases in thermal conductivity above effective medium theory and can be well described through simulation of the combination of particle aggregation and diffusion. The simulation shows large concentration distributions due to thermal diffusion causing variations in aggregation, thermal conductivity and viscosity. Static light scattering shows aggregates form more quickly at higher concentrations and temperatures, which explains the increased enhancement with temperature reported by other research groups. The permanent aggregates in the nanofluid are found to have a fractal dimension of 2.4 and the aggregate formations that grow over time are found to have a fractal dimension of 1.8, which is consistent with diffusion limited aggregation. Calculations show as aggregates grow the viscosity increases at a faster rate than thermal conductivity making the highly aggregated nanofluids unfavorable, especially at the low fractal dimension of 1.8. An optimum nanoparticle diameter for these particular fluid properties is calculated to be 130 nm to optimize the fluid stability by reducing settling, thermal diffusion and aggregation.
Long chain alcohols possess major advantages over the currently used ethanol as bio-components for gasoline, including higher energy content, better engine compatibility, and less water solubility. The rapid developments in biofuel technology have made it possible to produce C{sub 4}-C{sub 5} alcohols cost effectively. These higher alcohols could significantly expand the biofuel content and potentially substitute ethanol in future gasoline mixtures. This study characterizes some fundamental properties of a C{sub 5} alcohol, isopentanol, as a fuel for HCCI engines. Wide ranges of engine speed, intake temperature, intake pressure, and equivalence ratio are investigated. Results are presented in comparison with gasoline or ethanol data previously reported. For a given combustion phasing, isopentanol requires lower intake temperatures than gasoline or ethanol at all tested speeds, indicating a higher HCCI reactivity. Similar to ethanol but unlike gasoline, isopentanol does not show two-stage ignition even at very low engine speed (350 rpm) or with considerable intake pressure boost (200 kPa abs.). However, isopentanol does show considerable intermediate temperature heat release (ITHR) that is comparable to gasoline. Our previous work has found that ITHR is critical for maintaining combustion stability at the retarded combustion phasings required to achieve high loads without knock. The stronger ITHR causes the combustion phasing of isopentanol to be less sensitive to intake temperature variations than ethanol. With the capability to retard combustion phasing, a maximum IMEP{sub g} of 5.4 and 11.6 bar was achieved with isopentanol at 100 and 200 kPa intake pressure, respectively. These loads are even slightly higher than those achieved with gasoline. The ITHR of isopentanol depends on operating conditions and is enhanced by simultaneously increasing pressures and reducing temperatures. However, increasing the temperature seems to have little effect on ITHR at atmospheric pressure, but it does promote hot ignition. Finally, the dependence of ignition timing on equivalence ratio, here called {phi}-sensitivity, is measured at atmospheric intake pressure, showing that the ignition of isopentanol is nearly insensitive to equivalence ratio when thermal effects are removed. This suggests that partial fuel stratification, which has been found effective to control the HRR with two-stage ignition fuels, may not work well with isopentanol at these conditions. Overall, these results indicate that isopentanol has a good potential as a HCCI fuel, either in neat form or in blend with gasoline.
Metal-organic frameworks (MOFs) represent a diverse and rapidly expanding class of materials comprising metal ions bridged by organic linker molecules. These robust crystalline structures have been found to exhibit exceptionally large surface areas, paving the way for diverse applications ranging from gas storage and separations to catalysis, drug delivery, and sensing. Less well understood are the intrinsic luminescence properties of MOFs, which arise from the electronic transitions within the hybrid metal-organic structure. Recently, we reported the observation of scintillation in stilbene-based MOFs, representing the discovery of the first completely new class of radiation detection materials since the advent of plastic scintillators in 1950. Photoluminescence and ion-induced luminescence spectroscopy of these materials show that both the luminescence spectrum and its timing can be varied by altering the local environment of the chromophore, establishing critical insight towards the rational design of materials for specific radiation detection applications. In this work, we describe the luminescence and scintillating properties of a series of isoreticular MOFs (IRMOFs), emphasizing the structural and electronic effects associated with systematic modification of the chromophore. Among these structures are IRMOFs based on naphthyl, biphenyl, terphenyl, and stilbene dicarboxylate linkers, for which unique structural changes and optical properties are observed. In addition to chemical changes in the structure, framework interpenetration may also be synthetically controlled, resulting in pairs of catenated and non-catenated IRMOFs based upon the same organic linker. The distinct interchromophore distances and solvate structure in these pairs lead to unique luminescence spectra that are interpreted in terms of energy transfer interactions. These spectral changes provide insight into the mechanism for radiation-induced luminescence, which for MOFs may differ significantly from the photoluminescence spectrum.
Low-cost, high-performance gamma-ray spectrometers are urgently needed for proliferation detection and homeland security. The cost and availability of large scintillators used in the spectrometer generally hinge on their mechanical property and crystal symmetry. Low symmetry, intrinsically brittle crystals, such as these emerging lanthanide halide scintillators, are particularly difficult to grow in large sizes due to the development of large anisotropic thermomechanical stresses during solidification process. Isotropic cubic scintillators, such as alkali halides, while affordable and can be produced in large sizes, are poor spectrometers due to severe nonproportional response and modest light yield. This work investigates and compares four new elpasolite based lanthanide halides, including Cs2LiLaBr6, Cs2NaLaBr6, Cs2LiLaI6, and Cs2NaLaI6, in terms of their crystal symmetry, characteristics of photoluminescence and optical quantum efficiency. The mechanical property and thermal expansion behavior of the cubic Cs2LiLaBr6 will be reported. The isotropic nature of this material has potential for scaled-up crystal growth, as well as the possibility of low-cost polycrystalline ceramic processing. In addition, the proportional response with gamma-ray energy of directionally solidified Cs2LiLaBr6 will be compared with workhorse alkali halide scintillators. The processing challenges associated with hot forged polycrystalline elpasolite based lanthanide halides will also be discussed.
Reducing battery materials to nano-scale dimensions may improve battery performance while maintaining the use of low-cost materials. However, we need better characterization tools with atomic to nano-scale resolution in order to understand degradation mechanisms and the structural and mechanical changes that occur in these new materials during battery cycling. To meet this need, we have developed a micro-electromechanical systems (MEMS)-based platform for performing electrochemical measurements using volatile electrolytes inside a transmission electron microscope (TEM). This platform uses flip-chip assembly with special alignment features and multiple buried electrode configurations. In addition to this platform, we have developed an unsealed platform that permits in situ TEM electrochemistry using ionic liquid electrolytes. As a test of these platform concepts, we have assembled MnO{sub 2} nanowires on to the platform using dielectrophoresis and have examined their electrical and structural changes as a function of lithiation. These results reveal a large irreversible drop in electronic conductance and the creation of a high degree of lattice disorder following lithiation of the nanowires. From these initial results, we conclude that the future full development of in situ TEM characterization tools will enable important mechanistic understanding of Li-ion battery materials.
The effect of collision-partner selection schemes on the accuracy and the efficiency of the Direct Simulation Monte Carlo (DSMC) method of Bird is investigated. Several schemes to reduce the total discretization error as a function of the mean collision separation and the mean collision time are examined. These include the historically first sub-cell scheme, the more recent nearest-neighbor scheme, and various near-neighbor schemes, which are evaluated for their effect on the thermal conductivity for Fourier flow. Their convergence characteristics as a function of spatial and temporal discretization and the number of simulators per cell are compared to the convergence characteristics of the sophisticated and standard DSMC algorithms. Improved performance is obtained if the population from which possible collision partners are selected is an appropriate fraction of the population of the cell.
Continued reduction of characteristic dimensions in nanosystems has given rise to increasing importance of material interfaces on the overall system performance. With regard to thermal transport, this increases the need for a better fundamental understanding of the processes affecting interfacial thermal transport, as characterized by the thermal boundary conductance. When thermal boundary conductance is driven by phononic scattering events, accurate predictions of interfacial transport must account for anharmonic phononic coupling as this affects the thermal transmission. In this paper, a new model for phononic thermal boundary conductance is developed that takes into account anharonic coupling, or inelastic scattering events, at the interface between two materials. Previous models for thermal boundary conductance are first reviewed, including the Diffuse Mismatch Model, which only consdiers elastic phonon scattering events, and earlier attempts to account for inelastic phonon scattering, namely, the Maximum Transmission Model and the Higher Harmonic Inelastic model. A new model is derived, the Anharmonic Inelastic Model, which provides a more physical consideration of the effects of inelastic scattering on thermal boundary conductance. This is accomplished by considering specific ranges of phonon frequency interactions and phonon number density conservation. Thus, this model considers the contributions of anharmonic, inelastically scattered phonons to thermal boundary conductance. This new Anharmonic Inelastic Model shows excellent agreement between model predictions and experimental data at the Pb/diamond interface due to its ability to account for the temperature dependent changing phonon population in diamond, which can couple anharmonically with multiple phonons in Pb.
The Waste Isolation Pilot Plant (WIPP) disposal operations currently employ two different disposal methods: one for Contact Handled (CH) waste and another for Remote Handled (RH) waste. CH waste is emplaced in a variety of payload container configurations on the floor of each disposal room. In contrast, RH waste is packaged into a single type of canister and emplaced in pre-drilled holes in the walls of disposal rooms. Emplacement of the RH waste in the walls must proceed in advance of CH waste emplacement and therefore poses logistical constraints, in addition to the loss of valuable disposal capacity. To improve operational efficiency and disposal capacity, the Department of Energy (DOE) has proposed a shielded container for certain RH waste streams. RH waste with relatively low gammaemitting activity would be packaged in lead-lined containers, shipped to WIPP in existing certified transportation packages for CH waste and emplaced in WIPP among the stacks of CH waste containers on the floor of a disposal room. RH waste with high gamma-emitting activity would continue to be emplaced in the boreholes along the walls. The new RH container is similar to the nominal 208-liter (55-gallon) drum, however it includes about 2.5 cm (1 in) of lead, sandwiched between thick steel sheets. Furthermore, the top and bottom are made of thick plate steel to strengthening the package to meet transportation requirements. This robust configuration provides an overpack for materials that otherwise would be RH waste. This paper describes the container and the regulatory approach used to meet the requirements imposed by regulations that apply to WIPP. This includes a Performance Assessment used to evaluate WIPP's long-term performance and the DOE's approach to gain approval for the transportation of shielded containers. This paper also describes estimates of the DOE's RH transuranic waste inventory that may be packaged and emplaced in shielded containers. Finally, the paper includes a discussion of how the DOE proposes to track the waste packaged into shielded containers against the RH waste inventory and how this will comply with the regulated volume.
The original Trusted Radiation Identification System (TRIS) was developed from 1999-2001, featuring information barrier technology to collect gamma radiation template measurements useful for arms control regime operations. The first TRIS design relied upon a multichannel analyzer (MCA) that was external to the protected volume of the system enclosure, undesirable from a system security perspective. An internal complex programmable logic device (CPLD) contained data which was not subject to software authentication. Physical authentication of the TRIS instrument case was performed by a sensitive but slow eddy-current inspection method. This paper describes progress to date for the Next Generation TRIS (NG-TRIS), which improves the TRIS design. We have incorporated the MCA internal to the trusted system volume, achieved full authentication of CPLD data, and have devised rapid methods to authenticate the system enclosure and weld seals of the NG-TRIS enclosure. For a complete discussion of the TRIS system and components upon which NG-TRIS is based, the reader is directed to the comprehensive user's manual and system reference of Seager, et al.
In this work, we developed a self-organizing map (SOM) technique for using web-based text analysis to forecast when a group is undergoing a phase change. By 'phase change', we mean that an organization has fundamentally shifted attitudes or behaviors. For instance, when ice melts into water, the characteristics of the substance change. A formerly peaceful group may suddenly adopt violence, or a violent organization may unexpectedly agree to a ceasefire. SOM techniques were used to analyze text obtained from organization postings on the world-wide web. Results suggest it may be possible to forecast phase changes, and determine if an example of writing can be attributed to a group of interest.
The world currently faces tremendous energy challenges stemming from the need to curb potentially catastrophic anthropogenic climate change. In addition, many nations, including the United States, recognize increasing political and economic risks associated with dependence on uncertain and limited energy sources. For these and other reasons the chemical composition of transportation fuels is changing, both through introduction of nontraditional fossil sources, such as oil sands-derived fuels in the US stream, and through broader exploration of biofuels. At the same time the need for clean and efficient combustion is leading engine research towards advanced low-temperature combustion strategies that are increasingly sensitive to this changing fuel chemistry, particularly in the areas of pollutant formation and autoignition. I will highlight the new demands that advanced engine technologies and evolving fuel composition place on investigations of fundamental reaction chemistry. I will focus on recent progress in measuring product formation in elementary reactions by tunable synchrotron photoionization, on the elucidation of pressure-dependent effects in the reactions of alkyl and substituted alkyl radicals with O{sub 2}, and on new combined efforts in fundamental combustion chemistry and engine performance studies of novel potential biofuels.
This paper discusses a new approach to making hybrid power electronic circuits by combining a low-temperature (850 C to 950 C) co-fired ceramic (LTCC) substrate, planar LTCC ferrite transformers/inductors and integrated passive components into a multilayer monolithic package using a ferrite-based LTCC material system. A ferrite tape functions as the base material for this LTCC system. The material system includes physically and chemically compatible dielectric paste, dielectric tape and conductor materials which can be co-fired with the base ferrite LTCC tape to create sintered devices with excellent magnetic coupling, high permeability ({approx}400), high resistivity (> 10{sup 12} {Omega} {center_dot} cm) and good saturation ({approx}0.3 T). The co-fired ferrite and dielectric materials can be used as a substrate for attaching or housing semiconductor components and other discrete devices that are part of the power electronics system. Furthermore, the ability to co-fire the ferrite with dielectric and conductor materials allows for the incorporation of embedded passives in the multilayer structure to create hybrid power electronic circuits. Overall this thick film material set offers a unique approach to making hybrid power electronics and could potentially allow a size reduction for many commercial dc-dc converter and other power electronic circuits.
Nanoporous carbon (NPC) is a purely graphitic material with highly controlled densities ranging from less than 0.1 to 2.0 g/cm3, grown via pulsed-laser deposition. Decreasing the density of NPC increases the interplanar spacing between graphene-sheet fragments. This ability to tune the interplanar spacing makes NPC an ideal model system to study the behavior of carbon electrodes in electrochemical capacitors and batteries. We examine the capacitance of NPC films in alkaline and acidic electrolytes, and measure specific capacitances as high as 242 F/g.
Advances in structural adhesives have permitted engineers to contemplate the use of bonded joints in areas that have long been dominated by mechanical fasteners and welds. Although strength, modulus, and toughness have been improved in modern adhesives, the typical concerns with using these polymers still exist. These include concerns over long-term durability and an inability to quantify bond strength (i.e., identify weak bonds) in adhesive joints. Bond deterioration in aging structures and bond strength in original construction are now critical issues that require more than simple flaw detection. Whether the structure involves metallic or composite materials, it is necessary to extend inspections beyond the detection of disbond flaws to include an assessment of the strength of the bond. Use of advanced nondestructive inspection (NDI) methods to measure the mechanical properties of a bonded joint and associated correlations with post-inspection failure tests have provided some clues regarding the key parameters involved in assessing bond strength. Recent advances in ultrasonic- and thermographic-based inspection methods have shown promise for measuring such properties. Specialized noise reduction and signal enhancement schemes have allowed thermographic interrogations to image the subtle differences between bond lines of various strengths. Similarly, specialized ultrasonic (UT) inspection techniques, including laser UT, guided waves, UT spectroscopy, and resonance methods, can be coupled with unique signal analysis algorithms to accurately characterize the properties of weak interfacial bonds. The generation of sufficient energy input levels to derive bond strength variations, the production of sufficient technique sensitivity to measure such minor response variations, and the difficulty in manufacturing repeatable weak bond specimens are all issues that exacerbate these investigations. The key to evaluating the bond strength lies in the ability to exploit the critical characteristics of weak bonds such as nonlinear responses, poor transmission of shear waves, and changes in response to stiffness-based interrogations. This paper will present several ongoing efforts that have identified promising methods for quantifying bond strength and discuss some completed studies that provide a foundation for further evolution in weak bond assessments.
The authors have developed two versions of a flexible fabrication technique known as membrane projection lithography that can produce nearly arbitrary patterns in '212 D' and fully three-dimensional (3D) structures. The authors have applied this new technique to the fabrication of split ring resonator-based metamaterials in the midinfrared. The technique utilizes electron beam lithography for resolution, pattern design flexibility, and alignment. The resulting structures are nearly three orders of magnitude smaller than equivalent microwave structures that were first used to demonstrate a negative index material. The fully 3D structures are highly isotropic and exhibit both electrically and magnetically excited resonances for incident transverse electromagnetic waves.
Results show that a time-series based classification may be possible. For the test cases considered, the correct model can be selected and the number of index case can be captured within {+-} {sigma} with 5-10 days of data. The low signal-to-noise ratio makes the classification difficult for small epidemics. The problem statement is: (1) Create Bayesian techniques to classify and characterize epidemics from a time-series of ICD-9 codes (will call this time-series a 'morbidity stream'); and (2) It is assumed the morbidity stream has already set off an alarm (through a Kalman filter anomaly detector) Starting with a set of putative diseases: Identify which disease or set of diseases 'fit the data best' and, Infer associated information about it, i.e. number of index cases, start time of the epidemic, spread rate, etc.
In order to provide large quantities of high-reliability disk-based storage, it has become necessary to aggregate disks into fault-tolerant groups based on the RAID methodology. Most RAID levels do provide some fault tolerance, but there are certain classes of applications that require increased levels of fault tolerance within an array. Some of these applications include embedded systems in harsh environments that have a low level of serviceability, or uninhabited data centers servicing cloud computing. When describing RAID reliability, the Mean Time To Data Loss (MTTDL) calculations will often assume that the time to replace a failed disk is relatively low, or even negligible compared to rebuild time. For platforms that are in remote areas collecting and processing data, it may be impossible to access the system to perform system maintenance for long periods. A disk may fail early in a platform's life, but not be replaceable for much longer than typical for RAID arrays. Service periods may be scheduled at intervals on the order of months, or the platform may not be serviced until the end of a mission in progress. Further, this platform may be subject to extreme conditions that can accelerate wear and tear on a disk, requiring even more protection from failures. We have created a high parity RAID implementation that uses a Graphics Processing Unit (GPU) to compute more than two blocks of parity information per stripe, allowing extra parity to eliminate or reduce the requirement for rebuilding data between service periods. While this type of controller is highly effective for RAID 6 systems, an important benefit is the ability to incorporate more parity into a RAID storage system. Such RAID levels, as yet unnamed, can tolerate the failure of three or more disks (depending on configuration) without data loss. While this RAID system certainly has applications in embedded systems running applications in the field, similar benefits can be obtained for servers that are engineered for storage density, with less regard for serviceability or maintainability. A storage brick can be designed to have a MTTDL that extends well beyond the useful lifetime of the hardware used, allowing the disk subsystem to require less service throughout the lifetime of a compute resource. This approach is similar to the Xiotech ISE. Such a design can be deliberately placed remotely (without frequent support) in order to provide colocation, or meet cost goals. For workloads where reliability is key, but conditions are sub-optimal for routine serviceability, a high-parity RAID can provide extra reliability in extraordinary situations. For example, for installations requiring very high Mean Time To Repair, the extra parity can eliminate certain problems with maintaining hot spares, increasing overall reliability. Furthermore, in situations where disk reliability is reduced because of harsh conditions, extra parity can guard against early data loss due to lowered Mean Time To Failure. If used through an iSCSI interface with a streaming workload, it is possible to gain all of these benefits without impacting performance.
Chemically reacting flow models generally involve inputs and parameters that are determined from empirical measurements, and therefore exhibit a certain degree of uncertainty. Estimating the propagation of this uncertainty into computational model output predictions is crucial for purposes of reacting flow model validation, model exploration, as well as design optimization. Recent years have seen great developments in probabilistic methods and tools for efficient uncertainty quantification (UQ) in computational models. These tools are grounded in the use of Polynomial Chaos (PC) expansions for representation of random variables. The utility and effectiveness of PC methods have been demonstrated in a range of physical models, including structural mechanics, transport in porous media, fluid dynamics, aeronautics, heat transfer, and chemically reacting flow. While high-dimensionality remains nominally an ongoing challenge, great strides have been made in dealing with moderate dimensionality along with non-linearity and oscillatory dynamics. In this talk, I will give an overview of UQ in chemical systems. I will cover both: (1) the estimation of uncertain input parameters from empirical data, and (2) the forward propagation of parametric uncertainty to model outputs. I will cover the basics of forward PC UQ methods with examples of their use. I will also highlight the need for accurate estimation of the joint probability density over the uncertain parameters, in order to arrive at meaningful estimates of model output uncertainties. Finally, I will discuss recent developments on the inference of this density given partial information from legacy experiments, in the absence of raw data.
In this study, risk-significant pressurized-water reactor severe accident sequences are examined using MELCOR 1.8.5 to explore the range of fission product releases to the reactor containment building. Advances in the understanding of fission product release and transport behavior and severe accident progression are used to render best estimate analyses of selected accident sequences. Particular emphasis is placed on estimating the effects of high fuel burnup in contrast with low burnup on fission product releases to the containment. Supporting this emphasis, recent data available on fission product release from high-burnup (HBU) fuel from the French VERCOR project are used in this study. The results of these analyses are treated as samples from a population of accident sequences in order to employ approximate order statistics characterization of the results. These trends and tendencies are then compared to the NUREG-1465 alternative source term prescription used today for regulatory applications. In general, greater differences are observed between the state-of-the-art calculations for either HBU or low-burnup (LBU) fuel and the NUREG-1465 containment release fractions than exist between HBU and LBU release fractions. Current analyses suggest that retention of fission products within the vessel and the reactor coolant system (RCS) are greater than contemplated in the NUREG-1465 prescription, and that, overall, release fractions to the containment are therefore lower across the board in the present analyses than suggested in NUREG-1465. The decreased volatility of Cs2MoO4 compared to CsI or CsOH increases the predicted RCS retention of cesium, and as a result, cesium and iodine do not follow identical behaviors with respect to distribution among vessel, RCS, and containment. With respect to the regulatory alternative source term, greater differences are observed between the NUREG-1465 prescription and both HBU and LBU predictions than exist between HBU and LBU analyses. Additionally, current analyses suggest that the NUREG-1465 release fractions are conservative by about a factor of 2 in terms of release fractions and that release durations for in-vessel and late in-vessel release periods are in fact longer than the NUREG-1465 durations. It is currently planned that a subsequent report will further characterize these results using more refined statistical methods, permitting a more precise reformulation of the NUREG-1465 alternative source term for both LBU and HBU fuels, with the most important finding being that the NUREG-1465 formula appears to embody significant conservatism compared to current best-estimate analyses.
As part of a Nuclear Regulatory Commission (NRC) research program to evaluate the impact of using mixed-oxide (MOX) fuel in commercial nuclear power plants, a study was undertaken to evaluate the impact of the usage of MOX fuel on the consequences of postulated severe accidents. A series of 23 severe accident calculations was performed using MELCOR 1.8.5 for a four-loop Westinghouse reactor with an ice condenser containment. The calculations covered five basic accident classes that were identified as the risk- and consequence-dominant accident sequences in plant-specific probabilistic risk assessments for the McGuire and Catawba nuclear plants, including station blackouts and loss-of-coolant accidents of various sizes, with both early and late containment failures. Ultimately, the results of these MELCOR simulations will be used to provide a supplement to the NRC's alternative source term described in NUREG-1465. Source term magnitude and timing results are presented consistent with the NUREG-1465 format. For each of the severe accident release phases (coolant release, gap release, in-vessel release, ex-vessel release, and late in-vessel release), source term timing information (onset of release and duration) is presented. For all release phases except for the coolant release phase, magnitudes are presented for each of the NUREG-1465 radionuclide groups. MELCOR results showed variation of noble metal releases between those typical of ruthenium (Ru) and those typical of molybdenum (Mo); therefore, results for the noble metals were presented for Ru and Mo separately. The collection of the source term results can be used as the basis to develop a representative source term (across all accident types) that will be the MOX supplement to NUREG-1465.
The Oak Ridge National Laboratory computer code, ORIGEN2.2 (CCC-371, 2002), was used to obtain the elemental composition of irradiated low-enriched uranium (LEU)/mixed-oxide (MOX) pressurized-water reactor fuel assemblies. Described in this report are the input parameters for the ORIGEN2.2 calculations. The rationale for performing the ORIGEN2.2 calculation was to generate inventories to be used to populate MELCOR radionuclide classes. Therefore the ORIGEN2.2 output was subsequently manipulated. The procedures performed in this data reduction process are also described herein. A listing of the ORIGEN2.2 input deck for two-cycle MOX is provided in the appendix. The final output from this data reduction process was three tables containing the radionuclide inventories for LEU/MOX in elemental form. Masses, thermal powers, and activities were reported for each category.
In a recent acquisition by DOE/NNSA several large capacity computing clusters called TLCC have been installed at the DOE labs: SNL, LANL and LLNL. TLCC architecture with ccNUMA, multi-socket, multi-core nodes, and InfiniBand interconnect, is representative of the trend in HPC architectures. This paper examines application performance on TLCC contrasting them with Red Storm/Cray XT4. TLCC and Red Storm share similar AMD processors and memory DIMMs. Red Storm however has single socket nodes and custom interconnect. Micro-benchmarks and performance analysis tools help understand the causes for the observed performance differences. Control of processor and memory affinity on TLCC with the numactl utility is shown to result in significant performance gains and is essential to attenuate the detrimental impact of OS interference and cache-coherency overhead. While previous studies have investigated impact of affinity control mostly in the context of small SMP systems, the focus of this paper is on highly parallel MPI applications.
Geomechanical analyses have been performed to investigate potential mine interactions with wellbores that could occur in the Potash Enclave of Southeastern New Mexico. Two basic models were used in the study; (1) a global model that simulates the mechanics associated with mining and subsidence and (2) a wellbore model that examines the resulting interaction impacts on the wellbore casing. The first model is a 2D approximation of a potash mine using a plane strain idealization for mine depths of 304.8 m (1000 ft) and 609.6 m (2000 ft). A 3D wellbore model then considers the impact of bedding plane slippage across single and double cased wells cemented through the Salado formation. The wellbore model establishes allowable slippage to prevent casing yield.
There has been a concerted effort since 2007 to establish a dashboard of metrics for the Science, Technology, and Engineering (ST&E) work at Sandia National Laboratories. These metrics are to provide a self assessment mechanism for the ST&E Strategic Management Unit (SMU) to complement external expert review and advice and various internal self assessment processes. The data and analysis will help ST&E Managers plan, implement, and track strategies and work in order to support the critical success factors of nurturing core science and enabling laboratory missions. The purpose of this SAND report is to provide a guide for those who want to understand the ST&E SMU metrics process. This report provides an overview of why the ST&E SMU wants a dashboard of metrics, some background on metrics for ST&E programs from existing literature and past Sandia metrics efforts, a summary of work completed to date, specifics on the portfolio of metrics that have been chosen and the implementation process that has been followed, and plans for the coming year to improve the ST&E SMU metrics process.
Efficient design of hardware and software for large-scale parallel execution requires detailed understanding of the interactions between the application, computer, and network. The authors have developed a macroscale simulator (SST/macro) that permits the coarse-grained study of distributed-memory applications. In the presented work, applications using the Message Passing Interface (MPI) are simulated; however, the simulator is designed to allow inclusion of other programming models. The simulator is driven from either a trace file or a skeleton application. Trace files can be either a standard format (Open Trace Format) or a more detailed custom format (DUMPI). The simulator architecture is modular, allowing it to easily be extended with additional network models, trace file formats, and more detailed processor models. This paper describes the design of the simulator, provides performance results, and presents studies showing how application performance is affected by machine characteristics.
The Phebus and VERCORS data have played an important role in contemporary understanding and modeling of fission product release and transport from damaged LWR fuel. The data from these test programs have allowed improvement of MELCOR modeling of release and transport processes for both low enrichment uranium fuel as well as high burnup and MOX fuels. The following paper describes the derivation, testing and incorporation of improved radionuclide release models into the MELCOR severe accident code.
The Phebus and VERCORS data have played an important role in contemporary understanding and modeling of fission product release and transport from damaged light water reactor fuel. The data from these test programs have allowed improvement of MELCOR modeling of release and transport processes for both low enrichment uranium fuel as well as high burnup and mixed oxide (MOX) fuels. This paper discusses the synthesis of these findings in the MELCOR severe accident code. Based on recent assessments of MELCOR 1.8.5 fission product release modeling against the Phebus FPT-1 test and on observations from the ISP-46 exercise, modifications to the default MELCOR 1.8.5 release models are recommended. The assessments identified an alternative set of Booth diffusion parameters recommended by ORNL (ORNL-Booth), which produced significantly improved release predictions for cesium and other fission product groups. Some adjustments to the scaling factors in the ORNL-Booth model were made for selected fission product groups, including UO{sub 2}, Mo and Ru in order to obtain better comparisons with the FPT-1 data. The adjusted model, referred to as 'Modified ORNL-Booth,' was subsequently compared to original ORNL VI fission product release experiments and to more recently performed French VERCORS tests, and the comparisons was as favorable or better than the original CORSOR-M MELCOR default release model. These modified ORNL-Booth parameters, input to MELCOR 1.8.5 as 'sensitivity coefficients' (i.e. user input that over-rides the code defaults) are recommended for the interim period until improved release models can be implemented into MELCOR. For the case of ruthenium release in air-oxidizing conditions, some additional modifications to the Ru class vapor pressure are recommended based on estimates of the RuO{sub 2} vapor pressure over mildly hyperstoichiometric UO{sub 2}. The increased vapor pressure for this class significantly increases the net transport of Ru from the fuel to the gas stream. A formal model is needed. Deposition patterns in the Phebus FPT-1 circuit were also significantly improved by using the modified ORNL-Booth parameters, where retention of lower volatile Cs{sub 2}MoO{sub 4} is now predicted in the heated exit regions of the FPT-1 test, bringing down depositions in the FPT-1 steam generator tube to be in closer alignment with the experimental data. This improvement in 'RCS' deposition behavior preserves the overall correct release of cesium to the containment that was observed even with the default CORSOR-M model. Not correctly treated however is the release and transport of Ag to the FPT-1 containment. A model for Ag release from control rods is presently not available in MELCOR. Lack of this model is thought to be responsible for the underprediction by a factor of two of the total aerosol mass to the FPT-1 containment. It is suggested that this underprediction of airborne mass led to an underprediction of the aerosol agglomeration rate. Underprediction of the agglomeration rate leads to low predictions of the aerosol particle size in comparison to experimentally measured ones. Small particle size leads low predictions of the gravitational settling rate relative to the experimental data. This error, however, is a conservative one in that too-low settling rate would result in a larger source term to the environment. Implementation of an interim Ag release model is currently under study. In the course of this assessment, a review of MELCOR release models was performed and led to the identification of several areas for future improvements to MELCOR. These include upgrading the Booth release model to account for changes in local oxidizing/reducing conditions and including a fuel oxidation model to accommodate effects of fuel stoichiometry. Models such as implemented in the French ELSA code and described by Lewis are considered appropriate for MELCOR. A model for ruthenium release under air oxidizing conditions is also needed and should be included as part of a fuel oxidation model since fuel stoichiometry is a fundamental parameter in determining the vapor pressure of ruthenium oxides over the fuel. There is also a need to expand the MELCOR architecture for tracking fission product classes to allow for more speciation of fission products. An example is the formation of CsI and Cs{sub 2}MoO{sub 4} and potentially CsOH if all Mo is combined with Cs such that excess Cs exists in the fuel. Presently, MELCOR can track only one class combination (CsI) accurately, where excess Cs is assumed to be CsOH. Our recommended interim modifications map the CsOH (MELCOR Radionuclide Class 2) and Mo (Class 7) vapor pressure properties to Cs{sub 2}MoO{sub 4}, which approximates the desired formal class combination of Cs and Mo. Other extensions to handle properly iodine speciation from pool/gas chemistry are also needed.
We present the Sandia Advanced Personnel Locator Engine (SAPLE) web application, a directory search application for use by Sandia National Laboratories personnel. SAPLE's purpose is to return Sandia personnel 'results' as a function of user search queries, with its mission to make it easier and faster to find people at Sandia. To accomplish this, SAPLE breaks from more traditional directory application approaches by aiming to return the correct set of results while placing minimal constraints on the user's query. Two key features form the core of SAPLE: advanced search query interpretation and inexact string matching. SAPLE's query interpretation permits the user to perform compound queries when typing into a single search field; where able, SAPLE infers the type of field that the user intends to search on based on the value of the search term. SAPLE's inexact string matching feature yields a high-quality ranking of personnel search results even when there are no exact matches to the user's query. This paper explores these two key features, describing in detail the architecture and operation of SAPLE. Finally, an extensive analysis on logged search query data taken from an 11-week sample period is presented.
Sandia National Laboratories (SNL) is a multi-program national laboratory in the business of national security, whose primary mission is nuclear weapons (NW). It is a prime contractor to the USDOE, operating under the NNSA and is one of the three NW national laboratories. It has a long history of involvement in the area of geomechanics, starting with the some of the earliest weapons tests at Nevada. Projects in which geomechanics support (in general) and computational geomechanics support (in particular) are at the forefront at Sandia, range from those associated with civilian programs to those in the defense programs. SNL has had significant involvement and participation in the Waste Isolation Pilot Plant (low-level defense nuclear waste), the Yucca Mountain Project (formerly proposed for commercial spent fuel and high-level nuclear waste), and the Strategic Petroleum Reserve (the nation's emergency petroleum store). In addition, numerous industrial partners seek-out our computational/geomechanics expertise, and there are efforts in compressed air and natural gas storage, as well as in CO{sub 2} Sequestration. Likewise, there have also been collaborative past efforts in the areas of compactable reservoir response, the response of salt structures associated with reservoirs, and basin modeling for the Oil & Gas industry. There are also efforts on the defense front, ranging from assessment of vulnerability of infrastructure to defeat of hardened targets, which require an understanding and application of computational geomechanics. Several examples from some of these areas will be described and discussed to give the audience a flavor of the type of work currently being performed at Sandia in the general area of geomechanics.
This report describes the Sandia National Laboratories Medical Isotope Reactor and hot cell facility concepts. The reactor proposed is designed to be capable of producing 100% of the U.S. demand for the medical isotope {sup 99}Mo. The concept is novel in that the fuel for the reactor and the targets for the {sup 99}Mo production are the same. There is no driver core required. The fuel pins that are in the reactor core are processed on a 7 to 21 day irradiation cycle. The fuel is low enriched uranium oxide enriched to less than 20% {sup 235}U. The fuel pins are approximately 1 cm in diameter and 30 to 40 cm in height, clad with Zircaloy (zirconium alloy). Approximately 90 to 150 fuel pins are arranged in the core in a water pool {approx}30 ft deep. The reactor power level is 1 to 2 MW. The reactor concept is a simple design that is passively safe and maintains negative reactivity coefficients. The total radionuclide inventory in the reactor core is minimized since the fuel/target pins are removed and processed after 7 to 21 days. The fuel fabrication, reactor design and operation, and {sup 99}Mo production processing use well-developed technologies that minimize the technological and licensing risks. There are no impediments that prevent this type of reactor, along with its collocated hot cell facility, from being designed, fabricated, and licensed today.
The Department of Homeland Security (DHS), National Cyber Security Division (NSCD), Control Systems Security Program (CSSP), contracted Sandia National Laboratories to develop a generic methodology for prioritizing cyber-vulnerable, critical infrastructure assets and the development of mitigation strategies for their loss or compromise. The initial project has been divided into three discrete deliverables: (1) A generic methodology report suitable to all Critical Infrastructure and Key Resource (CIKR) Sectors (this report); (2) a sector-specific report for Electrical Power Distribution; and (3) a sector-specific report for the water sector, including generation, water treatment, and wastewater systems. Specific reports for the water and electric sectors are available from Sandia National Laboratories.
Policy makers will most likely need to make decisions about climate policy before climate scientists have resolved all relevant uncertainties about the impacts of climate change. This study demonstrates a risk-assessment methodology for evaluating uncertain future climatic conditions. We estimate the impacts of climate change on U.S. state- and national-level economic activity from 2010 to 2050. To understand the implications of uncertainty on risk and to provide a near-term rationale for policy interventions to mitigate the course of climate change, we focus on precipitation, one of the most uncertain aspects of future climate change. We use results of the climate-model ensemble from the Intergovernmental Panel on Climate Change's (IPCC) Fourth Assessment Report 4 (AR4) as a proxy for representing climate uncertainty over the next 40 years, map the simulated weather from the climate models hydrologically to the county level to determine the physical consequences on economic activity at the state level, and perform a detailed 70-industry analysis of economic impacts among the interacting lower-48 states. We determine the industry-level contribution to the gross domestic product and employment impacts at the state level, as well as interstate population migration, effects on personal income, and consequences for the U.S. trade balance. We show that the mean or average risk of damage to the U.S. economy from climate change, at the national level, is on the order of $1 trillion over the next 40 years, with losses in employment equivalent to nearly 7 million full-time jobs.
We use the modified iSAFT density functional theory (DFT) to calculate interactions among nanoparticles immersed in a polymer melt. Because a polymer can simultaneously interact with more than two nanoparticles, three-body interactions are important in this system. We treat the nanoparticles as spherical surfaces, and solve for the polymer densities around the nanoparticles in three dimensions. The polymer is modeled as a freely-jointed chain of spherical sites, and all interactions are repulsive. The potential of mean force (PMF) between two nanoparticles displays a minimum at contact due to the depletion effect. The PMF calculated from the DFT agrees nearly quantitatively with that calculated from self-consistent PRISM theory. From the DFT we find that the three-body free energy is significantly different in magnitude than the effective three-body free energy derived from the two-particle PMF.
Hybrid cells based on ZnO/P3HT heterojunctions have the advantage of better device stability, but suffer poor photovoltaic performance compared to all-organic cells which use PCBM as the electron acceptor. The photovoltaic effect in these hybrid systems is accomplished via photoinduced charge separation at the interface between the absorbing polymer (P3HT) and the electron acceptor (ZnO). Efforts to improve device performance in these hybrid systems have centered on reducing the required diffusion length for P3HT excitons by creating bulk heterojunctions from either ZnO nanoparticles and P3HT or using ZnO precursors which convert in situ to form ZnO networks inside a polymer matrix. In this study, we use transient photoinduced absorption to access the lifetimes of P3HT polarons and excitons in bulk heterojunctions constructed using P3HT and ZnO nanoparticles or ZnO precursors and compare to those in planar ZnO/P3HT devices. Steady-state photoinduced absorption spectra of ZnO/P3HT show characteristic of sub-bandgap transitions associated with the formation of long-lived (msec lifetimes) radical cations (polarons) in P3HT. Similar short-lived polarons (psec lifetimes) are observed by picosecond transient photoinduced absorption in addition to infrared absorption due to excitons. Here we examine the lifetimes of both the excitons and polarons in ZnO:P3HT bulk heterojunctions using both picosecond and millisecond techniques in an effort to understand the effect of the structure and morphology of the electron acceptor on charge separation. We will also compare the relative photoexitation lifetimes, hence charge separation efficiency, for the planar and bulk heterojunction hybrid system to an all-organic P3HT:PCBM system.