Publications

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The Alliance for Computing at the Extreme Scale (ACES) is a Los Alamos and Sandia collaboration encompassing not only HPC procurements and operations, but also computer science and architecture research and development. One area of focus within ACES relates to the critical technology developments for future high performance computing systems and the applications that would run on them, and ACES is heavily involved in the proposed DOE Exascale Initiative. The proposed Exascale Initiative emphasizes the need for co-design, which is the three-way collaborative and concurrent design of HPC hardware, software, and the applications themselves. Transformational changes will occur not only in HPC hardware, but also in the applications space, and taken together these will require transformation changes in the overall software layers supporting the programming models, tools, runtimes, file systems, and operating systems. Co-design involving all three areas of hardware, software, and applications will be the key to success. This talk will outline key aspects of the Exascale Initiative and its emphasis on co-design. It will provide some examples from LANL & Sandia experiences in co-design including aspects of the innovative Roadrunner architecture and software, a ACES-Cray project studying advanced interconnects within Cray, and Sandia's work in computer system simulators and mini-applications.

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We study clustering on graphs with multiple edge types. Our main motivation is that similarities between objects can be measured in many different metrics. For instance similarity between two papers can be based on common authors, where they are published, keyword similarity, citations, etc. As such, graphs with multiple edges is a more accurate model to describe similarities between objects. Each edge/metric provides only partial information about the data; recovering full information requires aggregation of all the similarity metrics. Clustering becomes much more challenging in this context, since in addition to the difficulties of the traditional clustering problem, we have to deal with a space of clusterings. We generalize the concept of clustering in single-edge graphs to multi-edged graphs and investigate problems such as: Can we find a clustering that remains good, even if we change the relative weights of metrics? How can we describe the space of clusterings efficiently? Can we find unexpected clusterings (a good clustering that is distant from all given clusterings)? If given the groundtruth clustering, can we recover how the weights for edge types were aggregated?

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New technologies have been, and are continuing to be, developed for Safeguards, Arms Control, and Physical Protection. Application spaces and technical requirements are evolving - Overlaps are developing. Lessons learned from IAEA's extensive experience could benefit other communities. Technologies developed for other applications may benefit Safeguards - Inherent cost benefits and improvements in procurement security processes.

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Laser-induced fluorescence measurements of cuvette-contained laser dye mixtures are made for evaluation of multivariate analysis techniques to optically thick environments. Nine mixtures of Coumarin 500 and Rhodamine 610 are analyzed, as well as the pure dyes. For each sample, the cuvette is positioned on a two-axis translation stage to allow the interrogation at different spatial locations, allowing the examination of both primary (absorption of the laser light) and secondary (absorption of the fluorescence) inner filter effects. In addition to these expected inner filter effects, we find evidence that a portion of the absorbed fluorescence is re-emitted. A total of 688 spectra are acquired for the evaluation of multivariate analysis approaches to account for nonlinear effects.

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We describe a phase retrieval method capable of recovering different phase distributions for each wavelength forming a polychromatic intensity distribution. Simulation results show reconstruction errors of a few thousandths of a wave RMS.

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Launch safety calculations for past space reactor concepts have usually been limited to immersion of the reactor in water and/or sand, using nominal system geometries or in some cases simplified compaction scenarios. Deformation of the reactor core by impact during the accident sequence typically has not been considered because of the complexity of the calculation. Recent advances in codes and computing power have made such calculations feasible. The accuracy of such calculations depends primarily on the underlying structural analysis. Even though explicit structural dynamics is a mature field, nuclear reactors present significant challenges to obtain accurate deformation predictions. The presence of a working fluid is one of the primary contributors to challenges in these predictions. The fluid-structure interaction cannot be neglected because the fluid surrounds the nuclear fuel which is the most important region in the analysis. A detailed model of a small eighty-five pin reactor was built with the working fluid modeled as smoothed particle hydrodynamic (SPH) elements. Filling the complex volume covered by the working fluid with SPH elements required development of an algorithm which eliminates overlaps between hexahedral and SPH elements. The results with and without the working fluid were found to be considerably different with respect to reactivity predictions.

Legislated requirements and industry standards are replacing eutectic lead-tin (Pb-Sn) solders with lead-free (Pb-free) solders in future component designs and in replacements and retrofits. Since Pb-free solders have not yet seen service for long periods, their long-term behavior is poorly characterized. Because understanding the reliability of Pb-free solders is critical to supporting the next generation of circuit board designs, it is imperative that we develop, validate and exercise a solder lifetime model that can capture the thermomechanical response of Pb-free solder joints in stockpile components. To this end, an ASC Level 2 milestone was identified for fiscal year 2010: Milestone 3605: Utilize experimentally validated constitutive model for lead-free solder to simulate aging and reliability of solder joints in stockpile components. This report documents the completion of this milestone, including evidence that the milestone completion criteria were met and a summary of the milestone Program Review.

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The Separations and Safeguards Performance Model is a reprocessing plant model that has been developed for safeguards analyses of future plant designs. The model has been modified to integrate bulk process monitoring data with traditional plutonium inventory balances to evaluate potential advanced safeguards systems. Taking advantage of the wealth of operator data such as flow rates and mass balances of bulk material, the timeliness of detection of material loss was shown to improve considerably. Four diversion cases were tested including both abrupt and protracted diversions at early and late times in the run. The first three cases indicated alarms before half of a significant quantity of material was removed. The buildup of error over time prevented detection in the case of a protracted diversion late in the run. Some issues related to the alarm conditions and bias correction will need to be addressed in future work. This work both demonstrates the use of the model for performing diversion scenario analyses and for testing advanced safeguards system designs.

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The peridynamic model of solid mechanics treats internal forces within a continuum through interactions across finite distances. These forces are determined through a constitutive model that, in the case of an elastic material, permits the strain energy density at a point to depend on the collective deformation of all the material within some finite distance of it. The forces between points are evaluated from the Frechet derivative of this strain energy density with respect to the deformation map. The resulting equation of motion is an integro-differential equation written in terms of these interparticle forces, rather than the traditional stress tensor field. Recent work on peridynamics has elucidated the energy balance in the presence of these long-range forces. We have derived the appropriate analogue of stress power, called absorbed power, that leads to a satisfactory definition of internal energy. This internal energy is additive, allowing us to meaningfully define an internal energy density field in the body. An expression for the local first law of thermodynamics within peridynamics combines this mechanical component, the absorbed power, with heat transport. The global statement of the energy balance over a subregion can be expressed in a form in which the mechanical and thermal terms contain only interactions between the interior of the subregion and the exterior, in a form anticipated by Noll in 1955. The local form of this first law within peridynamics, coupled with the second law as expressed in the Clausius-Duhem inequality, is amenable to the Coleman-Noll procedure for deriving restrictions on the constitutive model for thermomechanical response. Using an idea suggested by Fried in the context of systems of discrete particles, this procedure leads to a dissipation inequality for peridynamics that has a surprising form. It also leads to a thermodynamically consistent way to treat damage within the theory, shedding light on how damage, including the nucleation and advance of cracks, should be incorporated into a constitutive model.

In this study, char combustion of pulverized coal under oxy-fuel combustion conditions was investigated on the basis of experimentally observed temperature-size characteristics and corresponding predictions of numerical simulations. Using a combustion-driven entrained flow reactor equipped with an optical particle-sizing pyrometer, combustion characteristics (particle temperatures and apparent size) of pulverized coal char particles was determined for combustion in both reduced oxygen and oxygen-enriched atmospheres with either a N{sub 2} or CO{sub 2} bath gas. The two coals investigated were a low-sulfur, high-volatile bituminous coal (Utah Skyline) and a low-sulfur subbituminous coal (North Antelope), both size-classified to 75-106 {micro}m. A particular focus of this study lies in the analysis of the predictive modeling capabilities of simplified models that capture char combustion characteristics but exhibit the lowest possible complexity and thus facilitate incorporation in existing computational fluid dynamics (CFD) simulation codes. For this purpose, char consumption characteristics were calculated for char particles in the size range 10-200 {micro}m using (1) single-film, apparent kinetic models with a chemically 'frozen' boundary layer, and (2) a reacting porous particle model with detailed gas-phase kinetics and three separate heterogeneous reaction mechanisms of char-oxidation and gasification. A comparison of model results with experimental data suggests that single-film models with reaction orders between 0.5 and 1 with respect to the surface oxygen partial pressure may be capable of adequately predicting the temperature-size characteristics of char consumption, provided heterogeneous (steam and CO{sub 2}) gasification reactions are accounted for.

The use of risk information in establishing code and standard requirements enables: (1) An adequate and appropriate level of safety; and (2) Deployment of hydrogen facilities are as safe as gasoline facilities. This effort provides a template for clear and defensible regulations, codes, and standards that can enable international market transformation.

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This paper proposes a definition of 'IA and IA-enabled products' based on threat, as opposed to 'security services' (i.e., 'confidentiality, authentication, integrity, access control or non-repudiation of data'), as provided by Department of Defense (DoD) Instruction 8500.2, 'Information Assurance (IA) Implementation.' The DoDI 8500.2 definition is too broad, making it difficult to distinguish products that need higher protection from those that do not. As a consequence the products that need higher protection do not receive it, increasing risk. The threat-based definition proposed in this paper solves those problems by focusing attention on threats, thereby moving beyond compliance to risk management. (DoDI 8500.2 provides the definitions and controls that form the basis for IA across the DoD.) Familiarity with 8500.2 is assumed.

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The challenges of simulation streamlining and automation continue. The need for analysis verification, reviews, quality assurance, pedigree, and archiving are strong. These automation and archival needs can alternate between competing and complementing when determining how to improve the analysis environment and process. The needs compete for priority, resource allocation, and business practice importance. Likewise, implementation strategies of both automation and archival can swing between rather local work groups to more global corporate initiatives. Questions abound about needed connectivity (and the extent of this connectivity) to various CAD systems, product data management (PDM) systems, test data repositories and various information management implementations. This is a complex set of constraints. This presentation will bring focus to this complex environment through sharing experiences. The experiences are those gleaned over years of effort at Sandia to make reasonable sense out of the decisions to be made. It will include a discussion of integration and development of home grown tools for both automation and archival. It will also include an overview of efforts to understand local requirements, compare in-house tools to commercial offerings against those requirements, and options for future progress. Hopefully, sharing this rich set of experiences may prove useful to others struggling to make progress in their own environments.

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CNKemu is a kernel-based system for the 9k variant of the Plan 9 kernel. It is designed to provide transparent binary support for programs compiled for IBM's Compute Node Kernel (CNK) on the Blue Gene series of supercomputers. This support allows users to build applications with the standard Blue Gene toolchain, including C++ and Fortran compilers. While the CNK is not Linux, IBM designed the CNK so that the user interface has much in common with the Linux 2.0 system call interface. The Plan 9 CNK emulator hence provides the foundation of kernel-based Linux system call support on Plan 9. In this paper we discuss cnkemu's implementation and some of its more interesting features, such as the ability to easily intermix Plan 9 and Linux system calls.

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In this study, char combustion of pulverized coal under oxy-fuel combustion conditions was investigated on the basis of experimentally observed temperature-size characteristics and corresponding predictions of numerical simulations. Using a combustion-driven entrained flow reactor equipped with an optical particle-sizing pyrometer, combustion characteristics (particle temperatures and apparent size) of pulverized coal char particles was determined for combustion in both reduced oxygen and oxygen-enriched atmospheres with either a N{sub 2} or CO{sub 2} bath gas. The two coals investigated were a low-sulfur, high-volatile bituminous coal (Utah Skyline) and a low-sulfur subbituminous coal (North Antelope), both size-classified to 75-106 {micro}m. A particular focus of this study lies in the analysis of the predictive modeling capabilities of simplified models that capture char combustion characteristics but exhibit the lowest possible complexity and thus facilitate incorporation in existing computational fluid dynamics (CFD) simulation codes. For this purpose, char consumption characteristics were calculated for char particles in the size range 10-200 {micro}m using (1) single-film, apparent kinetic models with a chemically 'frozen' boundary layer, and (2) a reacting porous particle model with detailed gas-phase kinetics and three separate heterogeneous reaction mechanisms of char-oxidation and gasification. A comparison of model results with experimental data suggests that single-film models with reaction orders between 0.5 and 1 with respect to the surface oxygen partial pressure may be capable of adequately predicting the temperature-size characteristics of char consumption, provided heterogeneous (steam and CO{sub 2}) gasification reactions are accounted for.

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Consider a classic hierarchy tree as a basic model of a 'system-of-systems' network, where each node represents a component system (which may itself consist of a set of sub-systems). For this general composite system, we present a technique for computing the optimal testing strategy, which is based on Bayesian decision analysis. In previous work, we developed a Bayesian approach for computing the distribution of the reliability of a system-of-systems structure that uses test data and prior information. This allows for the determination of both an estimate of the reliability and a quantification of confidence in the estimate. Improving the accuracy of the reliability estimate and increasing the corresponding confidence require the collection of additional data. However, testing all possible sub-systems may not be cost-effective, feasible, or even necessary to achieve an improvement in the reliability estimate. To address this sampling issue, we formulate a Bayesian methodology that systematically determines the optimal sampling strategy under specified constraints and costs that will maximally improve the reliability estimate of the composite system, e.g., by reducing the variance of the reliability distribution. This methodology involves calculating the 'Bayes risk of a decision rule' for each available sampling strategy, where risk quantifies the relative effect that each sampling strategy could have on the reliability estimate. A general numerical algorithm is developed and tested using an example multicomponent system. The results show that the procedure scales linearly with the number of components available for testing.

Methods to generate private keys based on wireless channel characteristics have been proposed as an alternative to standard key-management schemes. In this work, we discuss past work in the field and offer a generalized scheme for the generation of private keys using uncorrelated channels in multiple domains. Proposed cognitive enhancements measure channel characteristics, to dynamically change transmission and reception parameters as well as estimate private key randomness and expiration times. Finally, results are presented on the implementation of a system for the generation of private keys for cryptographic communications using channel impulse-response estimation at 60 GHz. The testbed is composed of commercial millimeter-wave VubIQ transceivers, laboratory equipment, and software implemented in MATLAB. Novel cognitive enhancements are demonstrated, using channel estimation to dynamically change system parameters and estimate cryptographic key strength. We show for a complex channel that secret key generation can be accomplished on the order of 100 kb/s.

A reduced-volume antenna composed of a meandered-line dipole antenna over a finite-width, high-impedance surface is presented. The structure is novel in that the high-impedance surface is implemented with four Sievenpiper via-mushroom unit cells, whose area is optimized to match the meandered-line dipole antenna. The result is an antenna similar in performance to patch antenna but one fourth the area that can be deployed directly on the surface of a conductor. Simulations demonstrate a 3.5 cm ({lambda}/4) square antenna with a bandwidth of 4% and a gain of 4.8 dBi at 2.5 GHz.

Data-Intensive Computing is parallel computing where you design your algorithms and your software around efficient access and traversal of a data set; where hardware requirements are dictated by data size as much as by desired run times usually distilling compact results from massive data.

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To ensure the peaceful intent for production and processing of nuclear fuel, verifiable process monitoring of the fuel production cycle is required. As part of a U.S. Department of Energy (DOE)-EURATOM collaboration in the field of international nuclear safeguards, the DOE Sandia National Laboratories (SNL), the European Commission Joint Research Centre (JRC) and Directorate General-Energy (DG-ENER) developed and demonstrated a new concept in process monitoring, enabling the use of operator process information by branching a second, authenticated data stream to the Safeguards inspectorate. This information would be complementary to independent safeguards data, improving the understanding of the plant's operation. The concept is called the Enhanced Data Authentication System (EDAS). EDAS transparently captures, authenticates, and encrypts communication data that is transmitted between operator control computers and connected analytical equipment utilized in nuclear processes controls. The intent is to capture information as close to the sensor point as possible to assure the highest possible confidence in the branched data. Data must be collected transparently by the EDAS: Operator processes should not be altered or disrupted by the insertion of the EDAS as a monitoring system for safeguards. EDAS employs public key authentication providing 'jointly verifiable' data and private key encryption for confidentiality. Timestamps and data source are also added to the collected data for analysis. The core of the system hardware is in a security enclosure with both active and passive tamper indication. Further, the system has the ability to monitor seals or other security devices in close proximity. This paper will discuss the EDAS concept, recent technical developments, intended application philosophy and the planned future progression of this system.

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The Secure Video Surveillance System (SVSS) is a collaborative effort between the U.S. Department of Energy (DOE), Sandia National Laboratories (SNL), and the Brazilian-Argentine Agency for Accounting and Control of Nuclear Materials (ABACC). The joint project addresses specific requirements of redundant surveillance systems installed in two South American nuclear facilities as a tool to support unannounced inspections conducted by ABACC and the International Atomic Energy Agency (IAEA). The surveillance covers the critical time (as much as a few hours) between the notification of an inspection and the access of inspectors to the location in facility where surveillance equipment is installed. ABACC and the IAEA currently use the EURATOM Multiple Optical Surveillance System (EMOSS). This outdated system is no longer available or supported by the manufacturer. The current EMOSS system has met the project objective; however, the lack of available replacement parts and system support has made this system unsustainable and has increased the risk of an inoperable system. A new system that utilizes current technology and is maintainable is required to replace the aging EMOSS system. ABACC intends to replace one of the existing ABACC EMOSS systems by the Secure Video Surveillance System. SVSS utilizes commercial off-the shelf (COTS) technologies for all individual components. Sandia National Laboratories supported the system design for SVSS to meet Safeguards requirements, i.e. tamper indication, data authentication, etc. The SVSS consists of two video surveillance cameras linked securely to a data collection unit. The collection unit is capable of retaining historical surveillance data for at least three hours with picture intervals as short as 1sec. Images in .jpg format are available to inspectors using various software review tools. SNL has delivered two SVSS systems for test and evaluation at the ABACC Safeguards Laboratory. An additional 'proto-type' system remains at SNL for software and hardware testing. This paper will describe the capabilities of the new surveillance system, application and requirements, and the design approach.

This document is the Xyce Circuit Simulator developer guide. Xyce has been designed from the 'ground up' to be a SPICE-compatible, distributed memory parallel circuit simulator. While it is in many respects a research code, Xyce is intended to be a production simulator. As such, having software quality engineering (SQE) procedures in place to insure a high level of code quality and robustness are essential. Version control, issue tracking customer support, C++ style guildlines and the Xyce release process are all described. The Xyce Parallel Electronic Simulator has been under development at Sandia since 1999. Historically, Xyce has mostly been funded by ASC, the original focus of Xyce development has primarily been related to circuits for nuclear weapons. However, this has not been the only focus and it is expected that the project will diversify. Like many ASC projects, Xyce is a group development effort, which involves a number of researchers, engineers, scientists, mathmaticians and computer scientists. In addition to diversity of background, it is to be expected on long term projects for there to be a certain amount of staff turnover, as people move on to different projects. As a result, it is very important that the project maintain high software quality standards. The point of this document is to formally document a number of the software quality practices followed by the Xyce team in one place. Also, it is hoped that this document will be a good source of information for new developers.

This LDRD 149045 final report describes work that Sandians Scott A. Mitchell, Randall Laviolette, Shawn Martin, Warren Davis, Cindy Philips and Danny Dunlavy performed in 2010. Prof. Afra Zomorodian provided insight. This was a small late-start LDRD. Several other ongoing efforts were leveraged, including the Networks Grand Challenge LDRD, and the Computational Topology CSRF project, and the some of the leveraged work is described here. We proposed a sentence mining technique that exploited both the distribution and the order of parts-of-speech (POS) in sentences in English language documents. The ultimate goal was to be able to discover 'call-to-action' framing documents hidden within a corpus of mostly expository documents, even if the documents were all on the same topic and used the same vocabulary. Using POS was novel. We also took a novel approach to analyzing POS. We used the hypothesis that English follows a dynamical system and the POS are trajectories from one state to another. We analyzed the sequences of POS using support vector machines and the cycles of POS using computational homology. We discovered that the POS were a very weak signal and did not support our hypothesis well. Our original goal appeared to be unobtainable with our original approach. We turned our attention to study an aspect of a more traditional approach to distinguishing documents. Latent Dirichlet Allocation (LDA) turns documents into bags-of-words then into mixture-model points. A distance function is used to cluster groups of points to discover relatedness between documents. We performed a geometric and algebraic analysis of the most popular distance functions and made some significant and surprising discoveries, described in a separate technical report.

A major goal of next-generation physical protection systems is to extend defenses far beyond the usual outer-perimeter-fence boundaries surrounding protected facilities. Mitigation of nuisance alarms is among the highest priorities. A solution to this problem is to create a robust capability to Automatically Recognize Malicious Indicators of intruders. In extended defense applications, it is not enough to distinguish humans from all other potential alarm sources as human activity can be a common occurrence outside perimeter boundaries. Our approach is unique in that it employs a stimulus to determine a malicious intent indicator for the intruder. The intruder's response to the stimulus can be used in an automatic reasoning system to decide the intruder's intent.

Grid tied PV energy smoothing was implemented by using a valve regulated lead-acid (VRLA) battery as a temporary energy storage device to both charge and discharge as required to smooth the inverter energy output from the PV array. Inverter output was controlled by the average solar irradiance over the previous 1h time interval. On a clear day the solar irradiance power curve is offset by about 1h, while on a variable cloudy day the inverter output power curve will be smoothed based on the average solar irradiance. Test results demonstrate that this smoothing algorithm works very well. Battery state of charge was more difficult to manage because of the variable system inefficiencies. Testing continued for 30-days and established consistent operational performance for extended periods of time under a wide variety of resource conditions. Both battery technologies from Exide (Absolyte) and East Penn (ALABC Advanced) proved to cycle well at a Partial state of charge over the time interval tested.

Advanced sealing technologies are often an integral part of a containment surveillance (CS) approach to detect undeclared diversion of nuclear materials. As adversarial capabilities continue to advance, the sophistication of the seal design must advance as well. The intelligent integration of security concepts into a physical technology used to seal monitored items is a fundamental requirement for secure containment. Seals have a broad range of capabilities. These capabilities must be matched appropriately to the application to establish the greatest effectiveness from the seal. However, many current seal designs and their application fail to provide the high confidence of detection and timely notification that can be appreciated with new technology. Additionally, as monitoring needs rapidly expand, out-pacing budgets, remote monitoring of low-cost autonomous sealing technologies becomes increasingly appealing. The Remotely Monitored Sealing Array (RMSA) utilizes this technology and has implemented cost effective security concepts establishing the high confidence that is expected of active sealing technology today. RMSA is a system of relatively low-cost but secure active loop seals for the monitoring of nuclear material containers. The sealing mechanism is a fiber optic loop that is pulsed using a low-power LED circuit with a coded signal to verify integrity. Battery life is conserved by the use of sophisticated power management techniques, permitting many years of reliable operation without battery replacement or other maintenance. Individual seals communicate by radio using a secure transmission protocol using either of two specially designated communication frequency bands. Signals are encrypted and authenticated by private key, established during the installation procedure, and the seal bodies feature both active and passive tamper indication. Seals broadcast to a central 'translator' from which information is both stored locally and/or transmitted remotely for review. The system is especially appropriate for nuclear material storage facilities, indoor or outdoor, enabling remote inspection of status rather than tedious individual seal verification, and without the need for interconnected cabling. A handheld seal verifier is also available for an inspector to verify any particular individual seal in close proximity. This paper will discuss the development of the RMSA sealing system, its capabilities, its application philosophy, and projected future trends.

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Entrepreneurial separation to transfer technology (ESTT) program is that entrepreneurs terminate their employment with Sandia. The term of the separation is two years with the option to request a third year. Entrepreneurs are guaranteed reinstatement by Sandia if they return before ESTT expiration. Participants may start up or helpe expand technology businesses.

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Designing reliable MEMS structures presents numerous challenges. Polycrystalline silicon fractures in a brittle manner with considerable variability in measured strength. Furthermore, it is not clear how to use a measured tensile strength distribution to predict the strength of a complex MEMS structure. To address such issues, two recently developed high throughput MEMS tensile test techniques have been used to measure strength distribution tails. The measured tensile strength distributions enable the definition of a threshold strength as well as an inferred maximum flaw size. The nature of strength-controlling flaws has been identified and sources of the observed variation in strength investigated. A double edge-notched specimen geometry was also tested to study the effect of a severe, micron-scale stress concentration on the measured strength distribution. Strength-based, Weibull-based, and fracture mechanics-based failure analyses were performed and compared with the experimental results.

This project investigates the fundamental imaging capability of an optic with a physical thickness substantially less than 1 mm. The analysis assumes that post-processing can overcome certain restrictions such as detector pixel size and image degradation due to aberrations. A first order optical analysis quickly reveals the limitations of even an ideal thin lens to provide sufficient image resolution and provides the justification for pursuing an annular design. Some straightforward examples clearly show the potential of this approach. The tradeoffs associated with annular designs, specifically field of view limitations and reduced mid-level spatial frequencies, are discussed and their impact on the imaging performance evaluated using several imaging examples. Additionally, issues such as detector acceptance angle and the need to balance aberrations with resolution are included in the analysis. With these restrictions, the final results present an excellent approximation of the expected performance of the lens designs presented.

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Uncultivable microorganisms likely play significant roles in the ecology within the human body, with subtle but important implications for human health. Focusing on the oral microbiome, we are developing a processor for targeted isolation of individual microbial cells, facilitating whole-genome analysis without the need for isolation of pure cultures. The processor consists of three microfluidic modules: identification based on 16S rRNA fluorescence in situ hybridization (FISH), fluorescence-based sorting, and encapsulation of individual selected cells into small droplets for whole genome amplification. We present here a technique for performing microscale FISH and flow cytometry, as a prelude to single cell sorting.

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The size effect in body-centered cubic metals is comprehensively investigated through micro/nano-compression tests performed on focused ion beam machined tungsten (W), molybdenum (Mo) and niobium (Nb) pillars, with single slip [2 3 5] and multiple slip [0 0 1] orientations. The results demonstrate that the stress-strain response is unaffected by the number of activated slip systems, indicating that dislocation-dislocation interaction is not a dominant mechanism for the observed diameter dependent yield strength and strain hardening. Furthermore, the limited mobility of screw dislocations, which is different for each material at ambient temperature, acts as an additional strengthening mechanism leading to a material dependent size effect. Nominal values and diameter dependence of the flow stress significantly deviate from studies on face-centered cubic metals. This is demonstrated by the correlation of size dependence with the material specific critical temperature. Activation volumes were found to decrease with decreasing pillar diameter further indicating that the influence of the screw dislocations decreases with smaller pillar diameter.

The Health and Safety Executive (HSE) has requested Sandia National Laboratories (SNL) to review the aircraft crash methodology for nuclear facilities that are being used in the United Kingdom (UK). The scope of the work included a review of one method utilized in the UK for assessing the potential for accidental airplane crashes into nuclear facilities (Task 1) and a comparison of the UK methodology against similar International Atomic Energy Agency (IAEA), United States (US) Department of Energy (DOE), and the US Nuclear Regulatory Commission (NRC) methods (Task 2). Based on the conclusions from Tasks 1 and 2, an additional Task 3 would provide an assessment of a site-specific crash frequency for the Dungeness B facility using one of the other methodologies. This report documents the results of Task 2. The comparison of the different methods was performed for the three primary contributors to aircraft crash risk at the Dungeness B site: airfield related crashes, crashes below airways, and background crashes. The methods and data specified in each methodology were compared for each of these risk contributors, differences in the methodologies were identified, and the importance of these differences was qualitatively and quantitatively assessed. The bases for each of the methods and the data used were considered in this assessment process. A comparison of the treatment of the consequences of the aircraft crashes was not included in this assessment because the frequency of crashes into critical structures is currently low based on the existing Dungeness B assessment. Although the comparison found substantial differences between the UK and the three alternative methodologies (IAEA, NRC, and DOE) this assessment concludes that use of any of these alternative methodologies would not change the conclusions reached for the Dungeness B site. Performance of Task 3 is thus not recommended.

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A new method for spectral shape discrimination (SSD) of fast neutrons and gamma rays has been investigated. Gammas interfere with neutron detection, making efficient discrimination necessary for practical applications. Pulse shape discrimination (PSD) in liquid organic scintillators is currently the most effective means of gamma rejection. The hazardous liquids, restrictions on volume, and the need for fast timing are drawbacks to traditional PSD scintillators. In this project we investigated harvesting excited triplet states to increase scintillation yield and provide distinct spectral signatures for gammas and neutrons. Our novel approach relies on metal-organic phosphors to convert a portion of the energy normally lost to the scintillation process into useful luminescence with sub-microsecond lifetimes. The approach enables independent control over delayed luminescence wavelength, intensity, and timing for the first time. We demonstrated that organic scintillators, including plastics, nanoporous framework materials, and oil-based liquids can be engineered for both PSD and SSD.

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A Sieverts apparatus coupled with an RGA is an effective method to detect composition variations during isotopic exchange. This experimental setup provides a powerful tool for the thermodynamic and kinetic characterization of H-D isotope exchange on metals and alloys. H-D exchange behavior during absorption and desorption in the plateau region in Pd have been investigated and reported here. It was found that in the plateau region of H-D-Pd system the equilibrium pressures are between those of H2-Pd and D2-Pd for both absorption and desorption and the equilibrium pressures are higher when the fractions of D in the Pd are higher. Adding a dose of gas H2 (or D2) to Pd-D (or Pd-H) system results in releasing of gas D2 and HD (or H2 and HD) in {beta}-phase of Pd-D (or {beta}-phase of Pd-H), but this does not happen in the plateau region. The equilibrium constants have been determined during exchange and it was found that they agree well with the calculated values reported in literature. The separation factor {alpha} values during exchange have been measured and compared with the literature values. The exchange rates have been determined from the exchange profiles and a first order kinetic model for the exchange of H-D-Pd systems has been employed for the analysis. The exchange activation energies for both directions, H2+PdD and D2+PdH, have been determined.

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Affordable clean water is both a global and a national security issue as lack of it can cause death, disease, and international tension. Furthermore, efficient water filtration reduces the demand for energy, another national issue. The best current solution to clean water lies in reverse osmosis (RO) membranes that remove salts from water with applied pressure, but widely used polymeric membrane technology is energy intensive and produces water depleted in useful electrolytes. Furthermore incremental improvements, based on engineering solutions rather than new materials, have yielded only modest gains in performance over the last 25 years. We have pursued a creative and innovative new approach to membrane design and development for cheap desalination membranes by approaching the problem at the molecular level of pore design. Our inspiration comes from natural biological channels, which permit faster water transport than current reverse osmosis membranes and selectively pass healthy ions. Aiming for an order-of-magnitude improvement over mature polymer technology carries significant inherent risks. The success of our fundamental research effort lies in our exploiting, extending, and integrating recent advances by our team in theory, modeling, nano-fabrication and platform development. A combined theoretical and experimental platform has been developed to understand the interplay between water flux and ion rejection in precisely-defined nano-channels. Our innovative functionalization of solid state nanoporous membranes with organic protein-mimetic polymers achieves 3-fold improvement in water flux over commercial RO membranes and has yielded a pending patent and industrial interest. Our success has generated useful contributions to energy storage, nanoscience, and membrane technology research and development important for national health and prosperity.