Publications

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This report details efforts to deploy Agile Components for rapid development of a peridynamics code, Peridigm. The goal of Agile Components is to enable the efficient development of production-quality software by providing a well-defined, unifying interface to a powerful set of component-based software. Specifically, Agile Components facilitate interoperability among packages within the Trilinos Project, including data management, time integration, uncertainty quantification, and optimization. Development of the Peridigm code served as a testbed for Agile Components and resulted in a number of recommendations for future development. Agile Components successfully enabled rapid integration of Trilinos packages into Peridigm. A cost of this approach, however, was a set of restrictions on Peridigm's architecture which impacted the ability to track history-dependent material data, dynamically modify the model discretization, and interject user-defined routines into the time integration algorithm. These restrictions resulted in modifications to the Agile Components approach, as implemented in Peridigm, and in a set of recommendations for future Agile Components development. Specific recommendations include improved handling of material states, a more flexible flow control model, and improved documentation. A demonstration mini-application, SimpleODE, was developed at the onset of this project and is offered as a potential supplement to Agile Components documentation.

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This report summarizes the progress made as part of a one year lab-directed research and development (LDRD) project to fund the research efforts of Bryan Marker at the University of Texas at Austin. The goal of the project was to develop new techniques for automatically tuning the performance of dense linear algebra kernels. These kernels often represent the majority of computational time in an application. The primary outcome from this work is a demonstration of the value of model driven engineering as an approach to accurately predict and study performance trade-offs for dense linear algebra computations.

Time-reversal is a wave focusing technique that makes use of the reciprocity of wireless propagation channels. It works particularly well in a cluttered environment with associated multipath reflection. This technique uses the multipath in the environment to increase focusing ability. Time-reversal can also be used to null signals, either to reduce unintentional interference or to prevent eavesdropping. It does not require controlled geometric placement of the transmit antennas. Unlike existing techniques it can work without line-of-sight. We have explored the performance of time-reversal focusing in a variety of simulated environments. We have also developed new algorithms to simultaneously focus at a location while nulling at an eavesdropper location. We have experimentally verified these techniques in a realistic cluttered environment.

The discipline of computer science is built on indirection. David Wheeler famously said, "All problems in computer science can be solved by another layer of indirection. But that usually will create another problem". We propose that every computer security vulnerability is yet another problem created by the indirections in system designs and that focusing on the indirections involved is a better way to design, evaluate, and compare security solutions. We are not proposing that indirection be avoided when solving problems, but that understanding the relationships between indirections and vulnerabilities is key to securing computer systems. Using this perspective, we analyze common vulnerabilities that plague our computer systems, consider the effectiveness of currently available security solutions, and propose several new security solutions.

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This paper presents an extension to generalized blockmodeling where there are more than two types of objects to be clustered based on valued network data. We use the ideas in homogeneity block modeling to develop an optimization model to perform the clustering of the objects and the resulting partitioning of the ties so as to minimize the inconsistency of an empirical block with an ideal block. The ideal block types used in this modeling are null, complete and a new type that is related to that developed in Ziberna (2007). Three case studies are presented, two based on the Southern Women dataset (Davis et al. 1941) and a third based on passenger air travel in the Continental United States.

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Vertical-cavity surface-emitting lasers (VCSELs) are well suited for emerging photonic microsystems due to their low power consumption, ease of integration with other optical components, and single frequency operation. However, the typical VCSEL linewidth of 100 MHz is approximately ten times wider than the natural linewidth of atoms used in atomic beam clocks and trapped atom research, which degrades or completely destroys performance in those systems. This report documents our efforts to reduce VCSEL linewidths below 10 MHz to meet the needs of advanced sub-Doppler atomic microsystems, such as cold-atom traps. We have investigated two complementary approaches to reduce VCSEL linewidth: (A) increasing the laser-cavity quality factor, and (B) decreasing the linewidth enhancement factor (alpha) of the optical gain medium. We have developed two new VCSEL devices that achieved increased cavity quality factors: (1) all-semiconductor extended-cavity VCSELs, and (2) micro-external-cavity surface-emitting lasers (MECSELs). These new VCSEL devices have demonstrated linewidths below 10 MHz, and linewidths below 1 MHz seem feasible with further optimization.

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This document summarizes the results from a level 3 milestone study within the CASL VUQ effort. It demonstrates the application of 'advanced UQ,' in particular dimension-adaptive p-refinement for polynomial chaos and stochastic collocation. The study calculates statistics for several quantities of interest that are indicators for the formation of CRUD (Chalk River unidentified deposit), which can lead to CIPS (CRUD induced power shift). Stochastic expansion methods are attractive methods for uncertainty quantification due to their fast convergence properties. For smooth functions (i.e., analytic, infinitely-differentiable) in L{sup 2} (i.e., possessing finite variance), exponential convergence rates can be obtained under order refinement for integrated statistical quantities of interest such as mean, variance, and probability. Two stochastic expansion methods are of interest: nonintrusive polynomial chaos expansion (PCE), which computes coefficients for a known basis of multivariate orthogonal polynomials, and stochastic collocation (SC), which forms multivariate interpolation polynomials for known coefficients. Within the DAKOTA project, recent research in stochastic expansion methods has focused on automated polynomial order refinement ('p-refinement') of expansions to support scalability to higher dimensional random input spaces [4, 3]. By preferentially refining only in the most important dimensions of the input space, the applicability of these methods can be extended from O(10{sup 0})-O(10{sup 1}) random variables to O(10{sup 2}) and beyond, depending on the degree of anisotropy (i.e., the extent to which randominput variables have differing degrees of influence on the statistical quantities of interest (QOIs)). Thus, the purpose of this study is to investigate the application of these adaptive stochastic expansion methods to the analysis of CRUD using the VIPRE simulation tools for two different plant models of differing random dimension, anisotropy, and smoothness.

This project examines the utility of cycloaddition reactions for the synthesis of polymer networks. Cycloaddition reactions are desirable because they produce no unwanted side reactions or small molecules, allowing for the formation of high molecular weight species and glassy crosslinked networks. Both the Diels-Alder reaction and the copper-catalyzed azide-alkyne cycloaddition (CuAAC) were studied. Accomplishments include externally triggered healing of a thermoreversible covalent network via self-limited hysteresis heating, the creation of Diels-Alder based photoresists, and the successful photochemical catalysis of CuAAC as an alternative to the use of ascorbic acid for the generation of Cu(I) in click reactions. An analysis of the results reveals that these new methods offer the promise of efficiently creating robust, high molecular weight species and delicate three dimensional structures that incorporate chemical functionality in the patterned material. This work was performed under a Strategic Partnerships LDRD during FY10 and FY11 as part of a Sandia National Laboratories/University of Colorado-Boulder Excellence in Science and Engineering Fellowship awarded to Brian J. Adzima, a graduate student at UC-Boulder. Benjamin J. Anderson (Org. 1833) was the Sandia National Laboratories point-of-contact for this fellowship.

Events of interest to data analysts are sometimes difficult to characterize in detail. Rather, they consist of anomalies, events that are unpredicted, unusual, or otherwise incongruent. The purpose of this LDRD was to test the hypothesis that a biologically-inspired anomaly detection algorithm could be used to detect contextual, multi-modal anomalies. There currently is no other solution to this problem, but the existence of a solution would have a great national security impact. The technical focus of this research was the application of a brain-emulating cognition and control architecture (BECCA) to the problem of anomaly detection. One aspect of BECCA in particular was discovered to be critical to improved anomaly detection capabilities: it's feature creator. During the course of this project the feature creator was developed and tested against multiple data types. Development direction was drawn from psychological and neurophysiological measurements. Major technical achievements include the creation of hierarchical feature sets created from both audio and imagery data.

The purpose of this LDRD is to develop technology allowing warfighters to provide high-level commands to their unmanned assets, freeing them to command a group of them or commit the bulk of their attention elsewhere. To this end, a brain-emulating cognition and control architecture (BECCA) was developed, incorporating novel and uniquely capable feature creation and reinforcement learning algorithms. BECCA was demonstrated on both a mobile manipulator platform and on a seven degree of freedom serial link robot arm. Existing military ground robots are almost universally teleoperated and occupy the complete attention of an operator. They may remove a soldier from harm's way, but they do not necessarily reduce manpower requirements. Current research efforts to solve the problem of autonomous operation in an unstructured, dynamic environment fall short of the desired performance. In order to increase the effectiveness of unmanned vehicle (UV) operators, we proposed to develop robots that can be 'directed' rather than remote-controlled. They are instructed and trained by human operators, rather than driven. The technical approach is modeled closely on psychological and neuroscientific models of human learning. Two Sandia-developed models are utilized in this effort: the Sandia Cognitive Framework (SCF), a cognitive psychology-based model of human processes, and BECCA, a psychophysical-based model of learning, motor control, and conceptualization. Together, these models span the functional space from perceptuo-motor abilities, to high-level motivational and attentional processes.

This guide describes the R&A process, Common Look and Feel requirements, and preparation and publishing procedures for communication products at Sandia National Laboratories. Samples of forms and examples of published communications products are provided. This guide takes advantage of the wealth of material now available on the Web as a resource. Therefore, it is best viewed as an electronic document. If some of the illustrations are too small to view comfortably, you can enlarge them on the screen as needed. The format of this document is considerably different than that usually expected of a SAND Report. It was selected to permit the large number of illustrations and examples to be placed closer to the text that references them. In the case of forms, covers, and other items that are included as examples, a link to the Web is provided so that you can access the items and download them for use. This guide details the processes for producing a variety of communication products at Sandia National Laboratories. Figure I-1 shows the general publication development process. Because extensive supplemental material is available from Sandia on the internal web or from external sources (Table I-1), the guide has been shortened to make it easy to find information that you need.

This report documents our first year efforts to address the use of many-core processors for high performance cyber protection. As the demands grow for higher bandwidth (beyond 1 Gbits/sec) on network connections, the need to provide faster and more efficient solution to cyber security grows. Fortunately, in recent years, the development of many-core network processors have seen increased interest. Prior working experiences with many-core processors have led us to investigate its effectiveness for cyber protection tools, with particular emphasis on high performance firewalls. Although advanced algorithms for smarter cyber protection of high-speed network traffic are being developed, these advanced analysis techniques require significantly more computational capabilities than static techniques. Moreover, many locations where cyber protections are deployed have limited power, space and cooling resources. This makes the use of traditionally large computing systems impractical for the front-end systems that process large network streams; hence, the drive for this study which could potentially yield a highly reconfigurable and rapidly scalable solution.

The number of PDF files with embedded malicious code has risen significantly in the past few years. This is due to the portability of the file format, the ways Adobe Reader recovers from corrupt PDF files, the addition of many multimedia and scripting extensions to the file format, and many format properties the malware author may use to disguise the presence of malware. Current research focuses on executable, MS Office, and HTML formats. In this paper, several features and properties of PDF Files are identified. Features are extracted using an instrumented open source PDF viewer. The feature descriptions of benign and malicious PDFs can be used to construct a machine learning model for detecting possible malware in future PDF files. The detection rate of PDF malware by current antivirus software is very low. A PDF file is easy to edit and manipulate because it is a text format, providing a low barrier to malware authors. Analyzing PDF files for malware is nonetheless difficult because of (a) the complexity of the formatting language, (b) the parsing idiosyncrasies in Adobe Reader, and (c) undocumented correction techniques employed in Adobe Reader. In May 2011, Esparza demonstrated that PDF malware could be hidden from 42 of 43 antivirus packages by combining multiple obfuscation techniques [4]. One reason current antivirus software fails is the ease of varying byte sequences in PDF malware, thereby rendering conventional signature-based virus detection useless. The compression and encryption functions produce sequences of bytes that are each functions of multiple input bytes. As a result, padding the malware payload with some whitespace before compression/encryption can change many of the bytes in the final payload. In this study we analyzed a corpus of 2591 benign and 87 malicious PDF files. While this corpus is admittedly small, it allowed us to test a system for collecting indicators of embedded PDF malware. We will call these indicators features throughout the rest of this report. The features are extracted using an instrumented PDF viewer, and are the inputs to a prediction model that scores the likelihood of a PDF file containing malware. The prediction model is constructed from a sample of labeled data by a machine learning algorithm (specifically, decision tree ensemble learning). Preliminary experiments show that the model is able to detect half of the PDF malware in the corpus with zero false alarms. We conclude the report with suggestions for extending this work to detect a greater variety of PDF malware.

Packet switched data communications networks that use distributed processing architectures have the potential to simplify the design and development of new, increasingly more sophisticated satellite payloads. In addition, the use of reconfigurable logic may reduce the amount of redundant hardware required in space-based applications without sacrificing reliability. These concepts were studied using software modeling and simulation, and the results are presented in this report. Models of the commercially available, packet switched data interconnect SpaceWire protocol were developed and used to create network simulations of data networks containing reconfigurable logic with traffic flows for timing system distribution.

Currently there is a substantial lack of data for interactions of shock waves with particle fields having volume fractions residing between the dilute and granular regimes, which creates one of the largest sources of uncertainty in the simulation of energetic material detonation. To close this gap, a novel Multiphase Shock Tube has been constructed to drive a planar shock wave into a dense gas-solid field of particles. A nearly spatially isotropic field of particles is generated in the test section by a gravity-fed method that results in a spanwise curtain of spherical 100-micron particles having a volume fraction of about 19%. Interactions with incident shock Mach numbers of 1.66, 1.92, and 2.02 were achieved. High-speed schlieren imaging simultaneous with high-frequency wall pressure measurements are used to reveal the complex wave structure associated with the interaction. Following incident shock impingement, transmitted and reflected shocks are observed, which lead to differences in particle drag across the streamwise dimension of the curtain. Shortly thereafter, the particle field begins to propagate downstream and spread. For all three Mach numbers tested, the energy and momentum fluxes in the induced flow far downstream are reduced about 30-40% by the presence of the particle field. X-Ray diagnostics have been developed to penetrate the opacity of the flow, revealing the concentrations throughout the particle field as it expands and spreads downstream with time. Furthermore, an X-Ray particle tracking velocimetry diagnostic has been demonstrated to be feasible for this flow, which can be used to follow the trajectory of tracer particles seeded into the curtain. Additional experiments on single spherical particles accelerated behind an incident shock wave have shown that elevated particle drag coefficients can be attributed to increased compressibility rather than flow unsteadiness, clarifying confusing results from the historical database of shock tube experiments. The development of the Multiphase Shock Tube and associated diagnostic capabilities offers experimental capability to a previously inaccessible regime, which can provide unprecedented data concerning particle dynamics of dense gas-solid flows.

The U.S. is currently re-evaluating the policy on high-level radioactive waste (HLW) management and has been studying generic disposal system environment (GDSE) concepts to support the development of a long-term strategy for geologic disposal of HLW. The GDSE study focuses on the analysis of different GDSE options, and a salt repository is one of the options currently under study. The immediate goal of the generic salt repository study is to develop the necessary modeling tools to evaluate and improve understanding on the repository system response and processes relevant to long-term HLW disposal in salt. An initial version of the salt GDSE performance assessment model and the preliminary analysis results are discussed, emphasizing key attributes of a salt repository that are potentially important to the long-term safe disposal of HLW. Also discussed are the preliminary results on the repository response to the effects of different waste types (commercial UNF, existing DOE HLW, and hypothetical reprocessing HLW), and radionuclide release scenarios (undisturbed and human intrusion). Soluble, non- to weakly sorbing fission products, particularly 129I, 79Se, and 26Ra are the major dose contributors. However, the conservative assumptions made about their geochemical behaviors contribute to their calculated dose. The paper elaborates on the identified knowledge gaps and path forwards for future R&D efforts to advance understanding of salt repository system performance for HLW disposal.

Deep boreholes have been proposed for many decades as an option for permanent disposal of high-level radioactive waste and spent nuclear fuel. Disposal concepts are straightforward, and generally call for drilling boreholes to a depth of three to five kilometers into crystalline basement rocks. Waste is placed in the lower portion of the hole, and the upper several kilometers of the hole are sealed to provide effective isolation from the biosphere. The potential for excellent long-term performance has been recognized in many previous studies. This paper reports updated results of what is believed to be the first quantitative analysis of releases from a hypothetical disposal borehole repository using the same performance assessment methodology applied to mined geologic repositories for high-level radioactive waste. Analyses begin with a preliminary consideration of a comprehensive list of potentially relevant features, events, and processes (FEPs) and the identification of those FEPs that appear to be most likely to affect long-term performance in deep boreholes. Performance assessment model estimates of releases from deep boreholes, and the annual radiation doses to hypothetical future humans associated with those releases, are extremely small, indicating that deep boreholes may be a viable alternative to mined repositories for disposal of both high-level radioactive waste and spent nuclear fuel.

In the saturated zone transport model for the Yucca Mountain repository, the transport of the long lived radionuclides is explicitly modeled, while the concentrations of the short-lived decay products are inferred from the concentrations of their respective parent radionuclides. When assessing dose from 226Ra and its decay products, it is important to consider radioactive disequilibrium between the concentrations of 226Ra in the groundwater and the concentrations of its short-lived decay product, 222Rn caused by the preferential sorption of 226Ra on mineral grains in the aquifer. This paper discusses behavior of radon in the groundwater, 222Rn transfer to indoor and outdoor air, and the resulting transport and exposure pathways for the groundwater enriched in 222Rn. The processes considered include the buildup of radon decay products in the soil, the transfer of radon from groundwater to outdoor and indoor air, and the consequent radionuclide transfer to other environmental media, such as plants and animal products. The increased concentrations of radon and its decay products in the environmental media (water, soil, air, crops, animal products, and fish) result in additional exposure pathways that should be taken into account when evaluating the dose to the receptor. It is concluded that the unsupported 222Rn can have a significant effect on the dose from 226Ra and its decay products.

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Published results of performance assessments for deep geologic disposal of high-level radioactive waste and spent nuclear fuel provide insight into those aspects of the waste form that are potentially important to the long-term performance of a repository system. Alternative waste forms, such as might result from new technologies for processing spent fuel and advances in nuclear reactor design, have the potential to affect the long-term performance of a geologic repository. This paper reviews relevant results of existing performance assessments for a range of disposal concepts and provides observations about how hypothetical modifications to waste characteristics (e.g., changes in radionuclide inventory, thermal loading, and durability of waste forms) might impact results of the performance assessment models. Disposal concepts considered include geologic repositories in both saturated and unsaturated environments. Specifically, we consider four recent performance assessments as representative of a range of disposal concepts. We examine the extent to which results of these performance assessments are affected by (i) thermal loading of the waste proposed for disposal; (ii) mechanical and chemical lifetime of the waste form; and (iii) radionuclide content of the waste. We find that peak subsurface temperature generally is a constraint that can be met through engineering solutions and that processing of wastes to reduce thermal power may enable more efficient use of repositories rather than improved repository performance. We observe that the rate of radionuclide release is often limited by geologic or chemical processes other than waste form degradation. Thus, the effects on repository performance of extending waste-form lifetime may be relatively small unless the waste form lifetime becomes sufficiently long relative to the period of repository performance. Finally, we find that changes to radionuclide content of waste (e.g., by separation or transmutation processes) do not in general correspond to proportional effects on repository performance. Rather, the effect of changes to radionuclide content depends on the relative mobility of various radionuclides through the repository system, and consequently on repository geology and geochemistry.

The safe management and disposition of used nuclear fuel and/or high level nuclear waste is a fundamental aspect of the nuclear fuel cycle. The United States currently utilizes a once-through fuel cycle where used nuclear fuel is stored on-site in either wet pools or in dry storage systems with ultimate disposal in a deep mined geologic repository envisioned. However, a decision not to use the proposed Yucca Mountain Repository will result in longer interim storage at reactor sites than previously planned. In addition, alternatives to the once-through fuel cycle are being considered and a variety of options are being explored under the U.S. Department of Energy's Fuel Cycle Technologies Program. These two factors lead to the need to develop a credible strategy for managing radioactive wastes from any future nuclear fuel cycle in order to provide acceptable disposition pathways for all wastes regardless of transmutation system technology, fuel reprocessing scheme(s), and/or the selected fuel cycle. These disposition paths will involve both the storing of radioactive material for some period of time and the ultimate disposal of radioactive waste. To address the challenges associated with waste management, the DOE Office of Nuclear Energy established the Used Fuel Disposition Campaign in the summer of 2009. The mission of the Used Fuel Disposition Campaign is to identify alternatives and conduct scientific research and technology development to enable storage, transportation, and disposal of used nuclear fuel and wastes generated by existing and future nuclear fuel cycles. The near-and long-term objectives of the Fuel Cycle Technologies Program and its ' Used Fuel Disposition Campaign are presented.

The implementation of a project for the long-term disposal of nuclear waste (e.g., spent nuclear fuel, high-level radioactive waste) has proven to be one of the most challenging technical and political endeavors facing modern societies. The process of moving the project from site selection and characterization to licensing nuclear waste management facilities places shifting and, in some cases, conflicting demands on the community of technical experts engaged in providing the conceptual and quantitative bases for assessing facility safety and demonstrating regulatory compliance. At the same time, the accumulation and preservation of site-specific knowledge, data and modeling concerning the relevant components of the site is of urgent importance for the success of the overall process. To date, the evolving demands placed on these technical communities have received little systematic attention. The US efforts to site nuclear waste management facilities have faced significant challenges in developing and maintaining appropriate technical staffing, and based on recent policy shifts those challenges are likely to grow larger. This paper employs interviews with technical professionals from the US nuclear waste disposal program to analyze ways in which technical, social and political factors influence the performance of technical experts in lengthy, complex projects such as one for the long-term disposal of nuclear waste. The focus is on the interaction of the organizational and professional culture with evolving technical and professional demands. Recommendations are made for the design of sustainable technical organizations for performance of long-term risk analyses for nuclear waste management project.

Thermal analyses of disposal strategies in a generic salt repository with high-level nuclear waste (HLW) have been completed. These studies were undertaken primarily to examine details of temperature distribution as a function of time for disposal concepts of wastes resulting from the recycling of spent nuclear fuel from a light water reactor. These analyses confirm that a conceptual salt repository for HLW appears feasible and worthy of more detailed evaluation. The analyses examined the temporal temperature distribution near a HLW package, as well as the far-field thermal response due to its transient heat pulse. The sensitivity of temperature distribution to several variations of primary features (e.g. the waste emplacement rate, waste configuration, etc.) was also determined. The principal observations of the study include the following. The temperatures involved ensure sufficient time for waste emplacement within a panel and adequate time to mine adjacent panels without adverse consequences. The modeled concept of a single level repository is workable. Thermal loading is the primary driver of repository-wide (far-field relative to the waste canister) heat effects. Decay storage, decreasing the loading of the waste package and changing the waste configuration are viable methods for reducing the peak waste and salt temperatures. The results of the thermal analyses show that with application of informed heat management strategies, thermal front migration rates are slow enough that a feasible design of the repository can be implemented. Peak temperatures within the waste package can be controlled with modest engineering considerations.

An in-package chemistry model is presented to calculate pH in the pore space of degradation products inside a breached waste package in the unsaturated environment of the Yucca Mountain repository. The pH is calculated as a function of liquid influx rate, partial pressure of carbon dioxide, solid-water volume ratio in the porous degradation products (provided by a coupled water balance model), and the relative rate of steel and waste form degradation. The EQ3/6 code is used to calculate pH at high liquid influx rates and zero liquid influx rates (vapor influx only). For mid-range liquid influx rates, a Damkohler ratio is defined and used to interpolate between the pH values calculated at the two extremes. This approach allows the in-package pH to be calculated over broad ranges of key parameters in a total system performance assessment.

This paper reviews how the risks of transporting very radioactive materials are modeled and how the resulting doses to the public compare with commonly experienced radiation doses like background radiation. Both routine, incident-free transportation and transportation accidents are discussed. Only transportation of used nuclear fuel and high-level radioactive waste is discussed.

Hydrologic characterization at the Waste Isolation Pilot Plant (WIPP), near Carlsbad, New Mexico, has historically focused on collection of geologic data, such as cores and borehole geophysical logs, and the estimation of hydrologic parameters from single- and multi-well aquifer tests. These data have resulted in a detailed understanding of the depositional and alteration processes that have affected the hydrologie units of interest at WIPP. The hydrologie conceptual model has been used to create a groundwater flow and radionuclide transport model used in WIPP performance assessment (PA). Long-term monitoring of a large network of monitoring wells between testing events has produced millions of high-frequency, long-duration water level records. Hydrologie analysis techniques associated with barometric, Earth tide, and precipitation signals, these long-term data have the potential to reveal additional insights about the large-scale hydrogeology of the formations near WIPP. This study emphasizes that hydrological and geophysical data and analysis is important on multiple temporal and spatial scales in order to achieve effective characterization.

The possible effects of epistemic uncertainty in the seismic hazard curve used in the 2008 performance assessment (PA) for the proposed repository for high-level radioactive waste at Yucca Mountain (YM), Nevada, are investigated. The analysis establishes that it is possible to propagate epistemic uncertainty in the seismic hazard through the computational structure used in the 2008 YM PA and to investigate the effects of this uncertainty on expected dose to a reasonably maximally exposed individual from seismic ground motion events with sensitivity analysis procedures based on Latin hypercube sampling, partial rank correlation, and stepwise rank regression. The dominant analysis inputs affecting the epistemic uncertainty in the indicated dose were found to be the residual stress level at which stress corrosion initiates in the Alloy 22 outer corrosion barrier for waste packages and the seismic hazard curve.

The Waste Isolation Pilot Plant (WIPP) is a deep geologic repository sited in salt beds in Southeast New Mexico for the permanent disposal of defense-related Transuranic (TRU) waste operated by the U.S. Department of Energy (DOE). Conceptual designs, governing rules and statutes for the WIPP have historically included requirements for waste retrieval or waste removal. This paper discusses the rationale for waste retrieval and removal requirements and how the concept of waste retrieval and removal has evolved as the mission of WIPP progressed from a pilot project to an operational disposal facility.

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At the early stages of a repository program an important decision is the selection of a system development strategy that will lead effectively and efficiently to a final operating system in the face of inevitable technical and institutional uncertainties about how the future will unfold. The approach to designing the repository can contribute to the flexibility required to allow a repository program to adapt to unforeseen developments. The evolution of the Yucca Mountain repository design from a large integrated facility optimized for a single reference development and operation scenario to a modular design that is more readily adaptable to a wide range of alternative futures is an example of both the importance of and an approach to designing flexibility into a repository system.

Public attitudes in the United States toward spent nuclear fuel (SNF) management options are sensitive to specified policy design elements. Retrievability is generally preferred, both because the public views SNF as a possible future resource and because the public prefers to retain the option to revise SNF storage strategies in light of new learning. The public favors in the United States retaining the option for reprocessing SNF by a two-to-one majority. Expressed public support for a SNF repository is increased substantially if it is combined with a national laboratory focused on increasing safety of SNF storage, or with a facility for reprocessing SNF. Overall, it appears that bundling repository facilities with other SNF management junctions holds substantial promise to reduce the traditionally negative, stigmatizing imagery attached to SNF management facilities that treat these materials as a "waste".

Given the uncertain future of the proposed Yucca Mountain Repository for final disposal of used light water reactor fuel, the tactical strategy is to store used nuclear fuel (UNF) at utility sites in either pool or dry cask storage systems. Although no time threshold has been defined, the current recommendation for long-term management of UNF is 300 years. This presents possible regulatory and technical issues for both storage safety and security. This paper discusses ongoing work in address security for long-term storage of UNF. Previous work focused on an assessment of security requirements for the U.S. Nuclear Regulatory Commission and the U.S. Department of Energy. In addition, it has been determined that the dose rates for UNF will fall below the current 100 rem/hour self-protection threshold after 70 to 120 years. Work continues to address issues associated with maintaining security for long-term storage of UNF. Extending the self-protection concept and plans for performing assessments of the long-term security risk will be discussed. This work is part of a larger effort to develop concepts for a demonstration UNF storage site and to develop a technical basis for long-term storage of UNF and the associated transportation.

With a growing number of concentrating solar power systems being designed and developed, the potential impact of glint and glare from concentrating solar collectors and receivers is receiving increased attention as a potential hazard or as a distraction for motorists, pilots, and pedestrians. This paper provides analytical methods to evaluate the irradiance originating from specularly and diffusely reflecting sources as a function of distance and characteristics of the source. Sample problems are provided for both specular and diffuse sources, and validation of the models is performed via testing. In addition, a summary of safety metrics is compiled from the literature to evaluate the potential hazards of calculated irradiances from glint and glare for short-term exposures. Previous safety metrics have focused on prevention of permanent eye damage (e.g., retinal burn). New metrics used in this paper account for temporary after-image, which can occur at irradiance values several orders of magnitude lower than the irradiance values required for irreversible eye damage. © 2011 American Society of Mechanical Engineers.

Transverse impact response of a linear elastic Kevlar® KM2 fiber yarn was determined at various striking speeds from Hopkinson bar and gas gun experiments incorporated with high-speed photography techniques. Upon transverse impact, a triangle shape was formed in the fiber yarn. Both longitudinal and transverse waves were produced and propagated outwards the fiber yarn. Both the angle of the triangle and Euler transverse wave speed vary with striking speeds. The relationship between the Euler transverse wave speed and the striking speed was determined. The transverse impact response of the fiber yarn was also analyzed with a model, which agrees well with the experimental results. The model shows that the longitudinal wave speed is critical in the ballistic performance of the fiber yarn. At a certain striking speed, a higher longitudinal wave speed produces a higher Euler transverse wave speed, enabling us to spread the load and dissipate the impact energy faster, such that the ballistic performance of the fiber yarn is improved. © 2011 American Society of Mechanical Engineers.

A study was performed to compare the annual performance of 50 MW e Andasol-like trough plants that employ either a 2-tank or a thermocline-type molten-salt thermal storage system. trnsys software was used to create the plant models and to perform the annual simulations. The annual performance of each plant was found to be nearly identical in the base-case comparison. The reason that the thermocline exhibited nearly the same performance is primarily due to the ability of many trough power blocks to operate at a temperature that is significantly below the design point. However, if temperatures close to the design point are required, the performance of the 2-tank plant would be significantly better than the thermocline. © 2011 American Society of Mechanical Engineers.

We present an approach to create ultrathin (<20μm) and highly flexible crystalline silicon sheets on inexpensive substrates. We have demonstrated silicon sheets capable of bending at a radius of curvature as small as 2mm without damaging the silicon structure. Using microsystem tools, we created a suspended submillimeter honeycomb-segmented silicon structure anchored to the wafer only by small tethers. This structure is created in a standard thickness wafer enabling compatibility with common processing tools. The procedure enables all the high-temperature steps necessary to create a solar cell to be completed while the cells are on the wafer. In the transfer process, the cells attach to an adhesive flexible substrate which, when pulled away from the wafer, breaks the tethers and releases the honeycomb structure. We have previously demonstrated that submillimeter and ultrathin silicon segments can be converted into highly efficient solar cells, achieving efficiencies up to 14.9% at a thickness of 14μm. With this technology, achieving high efficiency (>15%) and highly flexible photovoltaic (PV) modules should be possible. © 2011 IEEE.

We present an approach to create ultrathin (<20μm) and highly flexible crystalline silicon sheets on inexpensive substrates. We have demonstrated silicon sheets capable of bending at a radius of curvature as small as 2mm without damaging the silicon structure. Using microsystem tools, we created a suspended submillimeter honeycomb-segmented silicon structure anchored to the wafer only by small tethers. This structure is created in a standard thickness wafer enabling compatibility with common processing tools. The procedure enables all the high-temperature steps necessary to create a solar cell to be completed while the cells are on the wafer. In the transfer process, the cells attach to an adhesive flexible substrate which, when pulled away from the wafer, breaks the tethers and releases the honeycomb structure. We have previously demonstrated that submillimeter and ultrathin silicon segments can be converted into highly efficient solar cells, achieving efficiencies up to 14.9% at a thickness of 14μm. With this technology, achieving high efficiency (>15%) and highly flexible photovoltaic (PV) modules should be possible. © 2011 IEEE.

We examine the long-wave infrared (LWIR) optical characteristics of heavily-doped silicon and explore engineering of surface plasmons polaritons (SPP) in this spectral region. Both phosphorus (n-type Si) and boron (p-type Si) implants are evaluated and various cap layers and thermal annealing steps are examined. The optical properties are measured using ellipsometry and fit to a Drude model for the infrared (IR) permittivity. The predicted metallic behavior for Si in the thermal IR and its impact on the spatial confinement and dispersion for surface plasmons is studied. We find that the transverse spatial confinement for a surface plasmon on highly doped Si is strongly sub-wavelength near the plasma edge, and the confinement to the surface is enhanced to greater than 10 × that of the metal confined SPP over the entire LWIR spectrum. © 2011 American Institute of Physics.

We report direct observation of an unexpected anisotropic swelling of Si nanowires during lithiation against either a solid electrolyte with a lithium counter-electrode or a liquid electrolyte with a LiCoO2 counter-electrode. Such anisotropic expansion is attributed to the interfacial processes of accommodating large volumetric strains at the lithiation reaction front that depend sensitively on the crystallographic orientation. This anisotropic swelling results in lithiated Si nanowires with a remarkable dumbbell-shaped cross section, which develops due to plastic flow and an ensuing necking instability that is induced by the tensile hoop stress buildup in the lithiated shell. The plasticity-driven morphological instabilities often lead to fracture in lithiated nanowires, now captured in video. These results provide important insight into the battery degradation mechanisms.

The QR factorization is one of the most important and useful matrix factorizations in scientific computing. A recent communication-avoiding version of the QR factorization trades flops for messages and is ideal for MapReduce, where computationally intensive processes operate locally on subsets of the data. We present an implementation of the tall and skinny QR (TSQR) factorization in the MapReduce framework, and we provide computational results for nearly terabyte-sized datasets. These tasks run in just a few minutes under a variety of parameter choices. © 2011 ACM.

Experiments were conducted to determine the influence of displacement damage on retention of deuterium in tungsten plasma-facing components in a tokamak. Tungsten samples, previously damaged by ion irradiation, were exposed to the outer strike point of attached H-mode plasmas in DIII-D. Nuclear reaction analysis (NRA) was used to measure the depth profile of deuterium retained in the tungsten. Displacement damage increased the concentration of retained deuterium to the maximum depth (about 2.5 μm) of the damage, to concentrations up to 0.003 D/W, compared to D/W < 10-5 in undamaged W. Tungsten coverage on adjacent carbon surfaces of the probe was mapped by Rutherford backscattering, giving the average tungsten erosion rate and spatial variation of redeposition. © 2010 Elsevier B.V. All rights reserved.

The low solubility of hydrogen in tungsten leads to the growth of near-surface hydrogen precipitates during high-flux plasma exposure, strongly affecting migration and trapping in the material. We have developed a continuum-scale model of precipitate growth that leverages existing techniques for simulating the evolution of 3He gas bubbles in metal tritides. The present approach focuses on bubble growth by dislocation loop punching, assuming a diffusing flux to nucleation sites that arises from ion implantation. The bubble size is dictated by internal hydrogen pressure, the mechanical properties of the material, as well as local stresses. In this article, we investigate the conditions required for bubble growth. Recent focused ion beam (FIB) profiling studies that reveal the sub-surface damage structure provide an experimental database for comparison with the modeling results. © 2010 Elsevier B.V. All rights reserved.

The tungsten ITER divertor will be operated at temperatures above 1000 K. Most of the laboratory experiments on hydrogen isotope retention in tungsten have been performed at lower temperatures where the hydrogen is retained as both atoms and molecules. At higher temperatures, atomic trapping plays a smaller role. The purpose of this paper is to see if hydrogen is trapped at internal voids at elevated temperatures, and to see if gas-filled cavities can be formed at high fluences. Additionally, this paper examines the effect of helium bubbles and radiation damage on trapping. © 2010 Elsevier B.V. All rights reserved.

Prior heat pulse testing of plasma facing components (PFCs) has been completed in vacuum environments without the presence of background plasma. Edge localized modes (ELMs) will not be this kind of isolated event and one should know the effect of a plasma background during these transients. Heat-pulse experiments have been conducted in the PISCES-A device utilizing laser heating in a divertor-like plasma background. Initial results indicate that the erosion of PFCs is enhanced as compared to heat pulse or plasma only tests. To determine if the enhanced erosion effect is a phenomena only witnessed in the laboratory PISCES device, tungsten and graphite samples were exposed to plasmas in the lower divertor of the DIII-D tokamak using the Divertor Material Evaluation System (DiMES). Mass loss analysis indicates that materials that contain significant deuterium prior to experiencing a transient heating event will erode faster than those that have no or little retained deuterium. © 2010 Elsevier B.V. All rights reserved.

NSTX experiments have explored lithium evaporated on a graphite divertor and other plasma-facing components in both L- and H- mode confinement regimes heated by high-power neutral beams. Improvements in plasma performance have followed these lithium depositions, including a reduction and eventual elimination of the HeGDC time between discharges, reduced edge neutral density, reduced plasma density, particularly in the edge and the SOL, increased pedestal electron and ion temperature, improved energy confinement and the suppression of ELMs in the H-mode. However, with improvements in confinement and suppression of ELMs, there was a significant secular increase in the effective ion charge Zeff and the radiated power in H-mode plasmas as a result of increases in the carbon and medium-Z metallic impurities. Lithium itself remained at a very low level in the plasma core, <0.1%. Initial results are reported from operation with a Liquid Lithium Divertor (LLD) recently installed. © 2010 Elsevier B.V. All rights reserved.

Spent nuclear fuel contains 129I, which is of particular concern due to its very long half-life, its potential mobility in the environment, and its deleterious effect on human health. In spent fuel reprocessing schemes under consideration, a gas stream containing 129I2 would be passed through a bed of Ag-loaded zeolites such as Ag-mordenite (Ag-MOR). We have investigated the use of a low-temperature sintering bismuth-silicon-zinc- oxide glass powder mixed with either AgI or AgI-MOR to produce dense glass composite material waste forms that can be processed at 550°C, where AgI volatility is low. We have demonstrated that when fine silver flake is added to the mixture, any adsorbed I2 released during heating of AgI-MOR reacts with the silver to form AgI in situ. Furthermore, we have shown that mixtures of the glass with the AgI-MOR or AgI are durable in aqueous environments. Finally, we have developed a process to fabricate core/shell waste forms where the core of AgI-MOR or AgI and glass is encased in a shell of glass that protects the core from contact with the environment. To prevent cracking of the shell due to thermal expansion mismatch between the core and shell, amorphous silica was added to the shell to form a composite with a lower coefficient of thermal expansion. © 2011 The American Ceramic Society.

Plane strain, elastic calculations of buckle-driven thin film delamination from compliant substrates using finite element models are considered. The interfacial properties between the film and the substrate are modeled using cohesive elements with a tractionseparation law formulated in terms of a potential. The model yielded the geometry of the buckles given the properties of the film and the substrate, the interfacial toughness and the value of the compressive equi-biaxial stress. Results for the relation between the buckle width and the interfacial toughness were very close to similar results by Yu and Hutchinson (2002), thus giving confidence that the cohesive element approach presented can be used in applications where buckle-driven delamination of thin films is an issue. © 2011 Springer Science+Business Media B.V.

Complex Adaptive Systems of Systems, or CASoS, are vastly complex ecological, sociological, economic and/or technical systems which we must understand to design a secure future for the nation and the world. Perturbations/disruptions in CASoS have the potential for far-reaching effects due to pervasive interdependencies and attendant vulnerabilities to cascades in associated systems. Phoenix was initiated to address this high-impact problem space as engineers. Our overarching goals are maximizing security, maximizing health, and minimizing risk. We design interventions, or problem solutions, that influence CASoS to achieve specific aspirations. Through application to real-world problems, Phoenix is evolving the principles and discipline of CASoS Engineering while growing a community of practice and the CASoS engineers to populate it. Both grounded in reality and working to extend our understanding and control of that reality, Phoenix is at the same time a solution within a CASoS and a CASoS itself.

The work reported here supports the efforts of the Market Transformation element of the DOE Fuel Cell Technology Program. The portfolio includes hydrogen technologies, as well as fuel cell technologies. The objective of this work is to model the use of bulk hydrogen storage, integrated with intermittent renewable energy production of hydrogen via electrolysis, used to generate grid-quality electricity. In addition the work determines cost-effective scale and design characteristics and explores potential attractive business models.

Aerodynamic noise from wind turbine rotors leads to constraints in both rotor design and turbine siting. The primary source of aerodynamic noise on wind turbine rotors is the interaction of turbulent boundary layers on the blades with the blade trailing edges. This report surveys concepts that have been proposed for trailing edge noise reduction, with emphasis on concepts that have been tested at either sub-scale or full-scale. These concepts include trailing edge serrations, low-noise airfoil designs, trailing edge brushes, and porous trailing edges. The demonstrated noise reductions of these concepts are cited, along with their impacts on aerodynamic performance. An assessment is made of future research opportunities in trailing edge noise reduction for wind turbine rotors.

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In [3] we proposed a new Control Volume Finite Element Method with multi-dimensional, edge- based Scharfetter-Gummel upwinding (CVFEM-MDEU). This report follows up with a detailed computational study of the method. The study compares the CVFEM-MDEU method with other CVFEM and FEM formulations for a set of standard scalar advection-diffusion test problems in two dimensions. The first two CVFEM formulations are derived from the CVFEM-MDEU by simplifying the computation of the flux integrals on the sides of the control volumes, the third is the nodal CVFEM [2] without upwinding, and the fourth is the streamline upwind version of CVFEM [10]. The finite elements in our study are the standard Galerkin, SUPG and artificial diffusion methods. All studies employ logically Cartesian partitions of the unit square into quadrilateral elements. Both uniform and non-uniform grids are considered. Our results demonstrate that CVFEM-MDEU and its simplified versions perform equally well on rectangular or nearly rectangular grids. However, performance of the simplified versions significantly degrades on non-affine grids, whereas the CVFEM-MDEU remains stable and accurate over a wide range of mesh Peclet numbers and non-affine grids. Compared to FEM formulations the CVFEM-MDEU appears to be slightly more dissipative than the SUPG, but has much less local overshoots and undershoots.

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In 1957, Sandia National Laboratories (Sandia) initiated its first programs in fundamental science, in support of its primary nuclear weapons mission. In 1974, Sandia initiated programs in fundamental science supported by the Department of Energy's Office of Science (DOE-SC). These latter programs have grown to the point where, today in 2011, support of Sandia's programs in fundamental science is dominated by that Office. In comparison with Sandia's programs in technology and mission applications, however, Sandia's programs in fundamental science are small. Hence, Sandia's fundamental science has been strongly influenced by close interactions with technology and mission applications. In many instances, these interactions have been of great mutual benefit, with synergies akin to a positive 'Casimir's spiral' of progress. In this report, we review the history of Sandia's fundamental science programs supported by the Office of Science. We present: (a) a technical and budgetary snapshot of Sandia's current programs supported by the various suboffices within DOE-SC; (b) statistics of highly-cited articles supported by DOE-SC; (c) four case studies (ion-solid interactions, combustion science, compound semiconductors, advanced computing) with an emphasis on mutually beneficial interactions between science, technology, and mission; and (d) appendices with key memos and reminiscences related to fundamental science at Sandia.

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We present an approach to simulate time-synchronized, one-minute power output from large photovoltaic (PV) generation plants in locations where only hourly irradiance estimates are available from satellite sources. The approach uses one-minute irradiance measurements from ground sensors in a climatically and geographically similar area. Irradiance is translated to power using the Sandia Array Performance Model. Power output is generated for 2007 in southern Nevada are being used for a Solar PV Grid Integration Study to estimate the integration costs associated with various utility-scale PV generation levels. Plant designs considered include both fixed-tilt thin-film, and single-axis-tracked polycrystalline Si systems ranging in size from 5 to 300 MW{sub AC}. Simulated power output profiles at one-minute intervals were generated for five scenarios defined by total PV capacity (149.5 MW, 222 WM, 292 MW, 492 MW, and 892 MW) each comprising as many as 10 geographically separated PV plants.

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A microkinetic chemical reaction mechanism capable of describing both the storage and regeneration processes in a fully formulated lean NO{sub x} trap (LNT) is presented. The mechanism includes steps occurring on the precious metal, barium oxide (NO{sub x} storage), and cerium oxide (oxygen storage) sites of the catalyst. The complete reaction set is used in conjunction with a transient plug flow reactor code to simulate not only conventional storage/regeneration cycles with a CO/H{sub 2} reductant, but also steady flow temperature sweep experiments that were previously analyzed with just a precious metal mechanism and a steady state code. The results show that NO{sub x} storage is not negligible during some of the temperature ramps, necessitating a re-evaluation of the precious metal kinetic parameters. The parameters for the entire mechanism are inferred by finding the best overall fit to the complete set of experiments. Rigorous thermodynamic consistency is enforced for parallel reaction pathways and with respect to known data for all of the gas phase species involved. It is found that, with a few minor exceptions, all of the basic experimental observations can be reproduced with these purely kinetic simulations, i.e., without including mass-transfer limitations. In addition to accounting for normal cycling behavior, the final mechanism should provide a starting point for the description of further LNT phenomena such as desulfation and the role of alternative reductants.

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This report is a summary of and commentary on (a) the seven lectures that C. S. Peirce presented in 1903 on pragmatism and (b) a commentary by P. A. Turrisi, both of which are included in Pragmatism as a Principle and Method of Right Thinking: The 1903 Harvard Lectures on Pragmatism, edited by Turrisi [13]. Peirce is known as the founder of the philosophy of pragmatism and these lectures, given near the end of his life, represent his mature thoughts on the philosophy. Peirce's decomposition of thinking into abduction, deduction, and induction is among the important points in the lectures.

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