Publications

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The Technical Reachback (TRB) project analyzes data and builds tools to enhance the capability for interdiction of illicit nuclear material at U.S. border crossings. The work done by TRB allows for a more precise classification of radioactive isotopes, pattern detection in traffic, and formulation of effective defenses.

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Sandia Labs has corporate, lab-wide efforts to enhance the research environment as well as improve physical space. However, these two efforts are usually done in isolation. The integration of physical space design with the nurturing of what we call psychosocial space can foster more efficient and effective creativity, innovation, collaboration, and performance. This paper presents a brief literature review on how academia and industry are studying the integration of physical and psychosocial space and focuses on the efforts that we, the authors, have made to improve the research environment in the Cyber Engineering Research Lab (CERL), home to Group 1460. Interviews with subject matter experts from Silicon Valley and the University of New Mexico plus changes to actual spaces in CERL provided us with six lessons learned when integrating physical and psychosocial space. We describe these six key takeaways in hopes that Sandia will see this area as an evolving research capability that Sandia can both contribute to and benefit from.

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Safety cases developed for the Facilities Management and Operations Center (FMOC) are based on the requirements in MN471021, Work Planning and Control Criteria for Safe Design and Operations. The FMOC performs maintenance activities in various locations at Sandia National Laboratories, New Mexico (SNL/NM). SNL/NM consists of more than 6,000,000 square feet of buildings, structures, and site infrastructure on approximately 13,000 acres of land. The FMOC performs approximately 7500 service contract work orders a year to assist with operations and maintenance at the SNL/NM site and facilities. As part of the continual improvement process, this Safety Case will be reviewed and updated, as needed, or at a minimum every three years. People tend to underestimate the probability of an accident if none have occurred previously or if the person performing the work is skilled, and they tend to trust each other’s competence. Human error within systems must be identified and considered. The FMOC uses failure mode analysis (FMA) to determine how a system might fail and cause accidents, as well as the amount and types of controls needed. The FMOC includes interconnected elements, such as people, environment, procedures, facilities, equipment, and the hazards identified in the work analysis. A daily pre-task plan is required prior to any work activity. Changes in work practices will be communicated clearly to all service contractors and personnel by way of contractor pre-task planning, activity-specific plans, contract amendments, and/or training. The FMOC has created a safe-by-design intent approach for service contract execution starting at the planning stage and extending through the execution phase. The Safety Program (see Figure 2) summarizes how the FMOC connects work analysis elements with service contracts.

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A revolution in lighting is well on its way. Rewind the clock a year or so and the prices of LED bulbs made many shoppers wince. But now it is possible to get a high-quality 60 W equivalent for well under $10, and that’s allowing sales of LED bulbs incorporating chips from the likes of Cree and Philips Lumileds to take off. Although these solid-state bulbs are much more pricey than incandescents, which have largely disappeared from shelves due to legislation, they more than make up for that additional up-front cost with a substantial trimming of the electricity bill. It is a more tricky decision, however, whether it makes more sense to buy an LED bulb or a cheaper compact fluorescent (CFL). In terms of durability, adaptability and environmental impact, the solid-state bulb is the clear winner. But both types of light are similar in the efficiency stakes, and thus the running costs.

In 2012, a Matlab GUI for the prediction of the coefficient of restitution was developed in order to enable the formulation of more accurate Finite Element Analysis (FEA) models of components. This report details the development of a new Rebound Dynamics GUI, and how it differs from the previously developed program. The new GUI includes several new features, such as source and citation documentation for the material database, as well as a multiple materials impact modeler for use with LMS Virtual.Lab Motion (LMS VLM), and a rigid body dynamics modeling software. The Rebound Dynamics GUI has been designed to work with LMS VLM to enable straightforward incorporation of velocity-dependent coefficients of restitution in rigid body dynamics simulations.

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A common challenge across the communications and information technology (IT) sectors is Internet + modernization + complexity + risk + cost. Cyberspace modernization and cyber security risks, issues, and concerns impact service providers, their customers, and the industry at large. Public and private sectors are struggling to solve the problem. New service opportunities lie in mobile voice, video, and data, and machine-to-machine (M2M) information and communication technologies that are migrating not only to predominant Internet Protocol (IP) communications, but also concurrently integrating IP, version 4 (IPv4) and IP, version 6 (IPv6). With reference to the Second Internet and the Internet of Things, next generation information services portend business survivability in the changing global market. The planning, architecture, and design information herein is intended to increase infrastructure preparedness, security, interoperability, resilience, and trust in the midst of such unprecedented change and opportunity. This document is a product of Sandia National Laboratories Tribal Cyber and IPv6 project work. It is a Cyberspace Modernization objective advisory in support of bridging the digital divide through strategic partnership and an informed path forward.

When emitters of electromagnetic energy are operated in the vicinity of sensitive components, the electric field at the component location must be kept below a certain level in order to prevent the component from being damaged, or in the case of electro-explosive devices, initiating. The V-Curve is a convenient way to set the electric field limit because it requires minimal information about the problem configuration. In this report we will discuss the basis for the V-Curve. We also consider deviations from the original V-Curve resulting from inductive versus capacitive antennas, increases in directivity gain for long antennas, decreases in input impedance when operating in a bounded region, and mismatches dictated by transmission line losses. In addition, we consider mitigating effects resulting from limited antenna sizes.

Technical nuclear forensics (TNF) must provide answers to questions of concern to the broader community, including an estimate of uncertainty. There is significant uncertainty associated with post-detonation TNF. The uncertainty consists of a great deal of epistemic (state of knowledge) as well as aleatory (random) uncertainty, and many of the variables of interest are linguistic (words) and not numeric. We provide a process by which TNF experts can structure their process for answering questions and provide an estimate of uncertainty. The process uses belief and plausibility, fuzzy sets, and approximate reasoning.

Hypersonic Glide Vehicles (HGVs) are a type of reentry vehicle that couples the high speed of ballistic missiles with the maneuverability of aircraft. The HGV has been in development since the 1970s, and its technology falls under the category of Conventional Prompt Global Strike (CPGS) weapons. As noted by James M. Acton, a senior associate in the Nuclear Policy Program at the Carnegie Endowment, CPGS is a “missile in search of a mission.” With the introduction of any significant new military capability, a doctrine for use—including specifics regarding how, when and where it would be used, as well as tactics, training and procedures—must be clearly defined and understood by policy makers, military commanders, and planners. In this paper, benefits and limitations of the HGV are presented. Proposed criteria and four scenarios illustrate a possible method for assessing when to use an HGV.

The Design Optimization Toolkit (DOTk) is a stand-alone C++ software package intended to solve complex design optimization problems. DOTk software package provides a range of solution methods that are suited for gradient/nongradient-based optimization, large scale constrained optimization, and topology optimization. DOTk was design to have a flexible user interface to allow easy access to DOTk solution methods from external engineering software packages. This inherent flexibility makes DOTk barely intrusive to other engineering software packages. As part of this inherent flexibility, DOTk software package provides an easy-to-use MATLAB interface that enables users to call DOTk solution methods directly from the MATLAB command window.

The summary includes Strategic Interagency Collaborations, Highlights and News. Process Improvements, and a graph showing FY2014 Reimbursable Work Revenue.

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Spatially unresolved targets, such as vehicles, reflect a radiance spectrum that is more complicated than the simple linear mixing of target and background material spectra. Although different materials in the target and background classes have Bi-Directional Reflectance Function (BRDF) dependent spectra, the unique geometry and orientation of a target object, in addition to the solar illumination and observation angles, define a more complex Tri-Directional Reflectance Function (TRDF) in which glints and shadows are important spectral contributors. For different observation scenarios, the apparent spectra of an unresolved target may vary significantly. However, since solar and observation angles are often known to operators of remote sensing instruments, well characterized TRDFs for specific targets allow for refinement in the estimation of the expected spectra of different unresolved targets. More accurately defined target classes may lead to improved performance in established subpixel target detection algorithms for remote sensing.

We studied the desorption of D implanted into Be with a superficial oxide layer. We found that the different oxide thicknesses and implantation at different energies resulted in a strong variation of the fraction stopped within the oxide layer. Thermal desorption of D was subsequently performed, intermitted by nuclear reaction analysis for assessment of the D depth distributions and total retained amounts. Moreover, for the conditions, where part of the D was deposited in the Be substrate, a sharp decrease of the retained amount of D occurs around 200 °C. This is attributed to the release from metallic Be. Correspondingly, the D and O depth profiles show that above 200 °C the remaining D is only retained in the BeO layer. Apparently, the superficial BeO layer does not act as a diffusion barrier for D that is released from the metallic substrate. The retained amount of D deposited within the BeO layer decreases steadily and is not completely released at 350 °C, the foreseen bake-out temperature in ITER.

We mapped out the stationary points and the corresponding conformational space on the C₃H₅O potential energy surface relevant for the OH + allene and OH + propyne reactions systematically and automatically using the KinBot software at the UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) level of theory. We used RRKM-based 1-D master equations to calculate pressure- and temperature-dependent, channel-specific phenomenological rate coefficients for the bimolecular reactions propyne + OH and allene + OH, and for the unimolecular decomposition of the CH₃CCHOH, CH₃C(OH)CH, CH₂CCH₂OH, CH₂C(OH)CH₂ primary adducts, and also for the related acetonyl, propionyl, 2-methylvinoxy, and 3-oxo-1-propyl radicals. The major channel of the bimolecular reactions at high temperatures is the formation propargyl + H₂O, which makes the title reactions important players in soot formation at high temperatures. However, below ~1000 K the chemistry is more complex, involving the competition of stabilization, isomerization and dissociation processes. We found that the OH addition to the central carbon of allene has a particularly interesting and complex pressure dependence, caused by the low-lying exit channel to form ketene + CH₃ bimolecular products. In this study, we compared our results to a wide range of experimental data and assessed possible uncertainties arising from certain aspects of the theoretical framework.

This study demonstrates a site resource assessment to examine the temporal variation of the mean current, turbulence intensities, and power densities for a tidal energy site in the East River tidal strait. These variables were derived from two-months of acoustic Doppler velocimeter (ADV) measurements at the design hub height of the Verdant Power Gen5 hydrokinetic turbine. The study site is a tidal strait that exhibits semi-diurnal tidal current characteristics, with a mean horizontal current speed of 1.4 m s^-1, and turbulence intensity of 15% at a reference mean current of 2 m s^-1. Flood and ebb flow directions are nearly bi-directional, with higher current magnitude during flood tide, which skews the power production towards the flood tide period. The tidal hydrodynamics at the site are highly regular, as indicated by the tidal current time series that resembles a sinusoidal function. This study also shows that the theoretical force and power densities derived from the current measurements can significantly be influenced by the length of the time window used for averaging the current data. Furthermore, the theoretical power density at the site, derived from the current measurements, is one order of magnitude greater than that reported in the U.S. national resource assessment. As a result, this discrepancy highlights the importance of conducting site resource assessments based on measurements at the tidal energy converter device scale.

Several extensions and improvements have been made to the multilevel summation method (MSM) of computing long-range electrostatic interactions. These include pressure calculation, an improved error estimator, faster direct part calculation, extension to non-orthogonal (triclinic) systems, and parallelization using the domain decomposition method. MSM also allows fully non-periodic long-range electrostatics calculations which are not possible using traditional Ewald-based methods. In spite of these significant improvements to the MSM algorithm, the particle-particle particle-mesh (PPPM) method was still found to be faster for the periodic systems we tested on a single processor. However, the fast Fourier transforms (FFTs) that PPPM relies on represent a major scaling bottleneck for the method when running on many cores (because the many-to-many communication pattern of the FFT becomes expensive) and MSM scales better than PPPM when using a large core count for two test problems on Sandia's Redsky machine. This FFT bottleneck can be reduced by running PPPM on only a subset of the total processors. MSM is most competitive for relatively low accuracy calculations. On Sandia's Chama machine, however, PPPM is found to scale better than MSM for all core counts that we tested. These results suggest that PPPM is usually more efficient than MSM for typical problems running on current high performance computers. However, further improvements to MSM algorithm could increase its competitiveness for calculation of long-range electrostatic interactions. © 2014 AIP Publishing LLC.

We discuss the thermal effects on scaling, retention, and error rate in filamentary resistive memories from a theoretical perspective using an analytical approach. Starting from the heat equation, we derive the temperature profile surrounding a resistive memory device and calculate its effect on neighboring devices. We outline the engineering tradeoffs that are expected with continued scaling, such as retention and power use per device. Based on our calculations, we expect scaling to continue well below 10 nm, but that the effect of heating from neighboring devices needs to be considered for some applications even at current manufacturing capabilities. We discuss possible designs to alleviate some of these effects while further increasing device density. © 2014 AIP Publishing LLC.

The document is a progress report on a first generation rapid testing microfluidic device with integrated sidewall mirrors being conducted by the Sandia National Laboratories team.

Nanogeochemistry-a newly emerging research field-attempts to understand geochemical reactions and mass transfers at nanometer scales, especially with regards to the formation of nanostructures in geochemical systems, emergent properties of these structures, and their controls on geochemical processes. The research also includes use of nanotechnology to design new materials and engineering approaches for effective natural resource extraction and environmental management. At the core of this new research field is the concept that, as the size of a material is reduced to nanometers, novel physical or chemical properties of the material may emerge that can be drastically different from those of the corresponding bulk phase and the material properties then become size-dependent. Nanostructures, which frequently occur in geologic materials, may directly control mineral phase stability, mineral-water interface chemistry, geochemical reaction kinetics, geo-fluid migration and transport, and even global biogeochemical cycles as a whole. This paper aims to provide a comprehensive review of recent progress in nanogeochemical research. The review is focused on two general types of nanostructures-nano solid phases and nanopores (nanofluids)-with an emphasis on the occurrence of each nanostructure in natural environments, the associated emergent properties, and the potential geochemical implications. Stemming from an increasing interest in shale gas research, a special discussion is provided on gas/oil disposition and migration in unconventional low-permeability reservoirs, wherein shale is treated as a nanocomposite material. Nanogeochemistry is a relatively young research field, and much remains to be explored. There is an urgent need for systematically characterizing specific nanostructures over the whole nanometer-size range and developing a general theoretical framework for data analysis and synthesis. There is also a need for developing experimental and modeling techniques to extrapolate the knowledge obtained from simple model systems to complex natural systems. © 2014 Elsevier B.V.

A model system was developed for enabling a multiscale understanding of centrifugal-contactor liquid–liquid extraction.The system consisted of Nd(III) + xylenol orange in the aqueous phase buffered to pH =5.5 by KHP, and dodecane + thenoyltrifluroroacetone (HTTA) + tributyphosphate (TBP) in the organic phase. Diffusion constants were measured for neodymium in both the organic and aqueous phases, and the Nd(III) partition coefficients were measured at various HTTA and TBP concentrations. A microfluidic channel was used as a high-shear model environment to observe mass-transfer on a droplet scale with xylenol orange as the aqueous-phase metal indicator; mass-transfer rates were measured quantitatively in both diffusion and reaction limited regimes on the droplet scale. Lastly, the microfluidic results were comparable to observations made for the same system in a laboratory scale liquid–liquid centrifugal contactor, indicating that single drop microfluidic experiments can provide information on mass transfer in complicated flows and geometries.

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The analysis presented in this report investigated how the direct disposal of dual purpose canisters (DPCs) may be affected by the use of standard transportation aging and disposal canisters (STADs), early or late start of the repository, and the repository emplacement thermal power limits. The impacts were evaluated with regard to the availability of the DPCs for emplacement, achievable repository acceptance rates, additional storage required at an interim storage facility (ISF) and additional emplacement time compared to the corresponding repackaging scenarios, and fuel age at emplacement. The result of this analysis demonstrated that the biggest difference in the availability of UNF for emplacement between the DPC-only loading scenario and the DPCs and STADs loading scenario is for a repository start date of 2036 with a 6 kW thermal power limit. The differences are also seen in the availability of UNF for emplacement between the DPC-only loading scenario and the DPCs and STADs loading scenario for the alternative with a 6 kW thermal limit and a 2048 start date, and for the alternatives with a 10 kW thermal limit and 2036 and 2048 start dates. The alternatives with disposal of UNF in both DPCs and STADs did not require additional storage, regardless of the repository acceptance rate, as compared to the reference repackaging case. In comparison to the reference repackaging case, alternatives with the 18 kW emplacement thermal limit required little to no additional emplacement time, regardless of the repository start time, the fuel loading scenario, or the repository acceptance rate. Alternatives with the 10 kW emplacement thermal limit and the DPCs and STADs fuel loading scenario required some additional emplacement time. The most significant decrease in additional emplacement time occurred in the alternative with the 6 kW thermal limit and the 2036 repository starting date. The average fuel age at emplacement ranges from 46 to 88 years. The maximum fuel age at emplacement ranges from 81 to 146 years. The difference in the average and maximum age of fuel at emplacement between the DPC-only and the DPCs and STADs fuel loading scenarios becomes less significant as the repository thermal limit increases and as the repository start date increases. In general, the role of STADs is to store young (30 year or younger) high burnup (45 GWD/MTU or higher) fuel. Recommendations for future study include detailed evaluation of the feasible alternatives with regard to the costs and factors not considered in this analysis, such as worker dose, dose to members of the public, and economic benefits to host entities. It is also recommended to conduct an additional analysis to evaluate the assumption regarding the transportability and disposability of DPCs for the next iteration of the direct disposal of DPCs study.

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This report reviews the art and practice of excavating and constructing underground facilities in clay/shale media, as part of a multi-year evaluation of the technical feasibility of direct disposal of spent nuclear fuel (SNF) in dual-purpose canisters (DPCs). The purpose is to review worldwide examples of large-scale excavations in clay/shale media, the methods used for excavation and constructi on, and the costs. It is anticipated that this information will help to show the feasibility of construction for a deep geologic respository for (on the order of) 10,000 large, heavy, heat-generating waste packages. This report will refine the clay/shale disposal concept for DPC -based waste packages, in support of future studies that include cost estimation.

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Recovery from process loss during the execution of a distributed memory parallel application is presently achieved by restarting the program, typically from a checkpoint file. Future computer system trends indicate that the size of data to checkpoint, the lack of improvement in parallel file system performance and the increase in process failure rates will lead to situations where checkpoint restart becomes infeasible. In this report we describe and prototype the use of a new application level resilient computing model that manages persistent storage of local state for each process such that, if a process fails, recovery can be performed locally without requiring access to a global checkpoint file. LFLR provides application developers with an ability to recover locally and continue application execution when a process is lost. This report discusses what features are required from the hardware, OS and runtime layers, and what approaches application developers might use in the design of future codes, including a demonstration of LFLR-enabled MiniFE code from the Matenvo mini-application suite.

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