Swartzentruber, Brian S.; Song, Erdong; Baranovskiy, Andrei; Xu, Enzhi; Busani, Tito; Zhang, Shixiong; Amouyal, Yaron; Martinez, Julio A.
Decoupling the electronic thermal and electrical conductivities is one of the limitations hindering a breakthrough in thermoelectric efficiency. After a conformal surface coating of bismuth telluride nanowires (Bi2Te3 NWs) by porphyrins, the thermal conductivity increases from 0.8 to 1.0 Wm-1K-1 at 300 K without any obvious change in electrical conductivity. Density Functional Theory (DFT) calculations assisted by Boltzmann Transport Equation (BTE) simulations of electronic transport properties indicate that the electronic thermal transport is enhanced by the depletion of surface charge carriers, which results in transition from metallic to semiconducting behavior. Thus, the adsorption of porphyrin onto the Bi2Te3 NWs layer suppresses the surface electronic conduction, resulting in thermal electronic conduction dictated by the bulk of the NW. The results mean that electronic thermal transport can be decoupled from the electrical conductivity by changing the density of surface states on Bi2Te3 NWs.
Reproducibility is an essential ingredient of the scientific enterprise. The ability to reproduce results builds trust that we can rely on the results as foundations for future scientific exploration. Presently, the fields of computational and computing sciences provide two opposing definitions of reproducible and replicable. In computational sciences, reproducible research means authors provide all necessary data and computer codes to run analyses again, so others can re-obtain the results (J. Claerbout et al., 1992). The concept was adopted and extended by several communities, where it was distinguished from replication: collecting new data to address the same question, and arriving at consistent findings (Peng et al. 2006). The Association of Computing Machinery (ACM), representing computer science and industry professionals, recently established a reproducibility initiative, adopting essentially opposite definitions. The purpose of this report is to raise awareness of the opposite definitions and propose a path to a compatible taxonomy.
This report summarizes the data analysis activities that were performed under the Born Qualified Grand Challenge Project from 2016 - 2018. It is meant to document the characterization of additively manufactured parts and processe s for this project as well as demonstrate and identify further analyses and data science that could be done relating material processes to microstructure to properties to performance.
This document, the Sandia National Laboratories lntegrated Facilities and lnfrastructure Plan, summarizes long-, mid-, and short-term site planning to support Sandia's mission. High-level direction that influences site development includes the Stockpile Stewardship and Management Plan (SSMP) and Nuclear Posture Review (NPR), while the relationship to National Nuclear Security Administration (NNSA) infrastructure is described in the NNSA Master Asset Plan (MAP). Using the SSMP as an indication of the future workload informs the planning process for facilities and infrastructure. Figure 1 shows the outlook of the NNSAs nuclear weapons modernization programs through the year 2042, which indicates a stable, slightly growing workload.
This SAND report fulfills the final report requirement for the Born Qualified Grand Challenge LDRD. Born Qualified was funded from FY16-FY18 with a total budget of ~$13M over the 3 years of funding. Overall 70+ staff, Post Docs, and students supported this project over its lifetime. The driver for Born Qualified was using Additive Manufacturing (AM) to change the qualification paradigm for low volume, high value, high consequence, complex parts that are common in high-risk industries such as ND, defense, energy, aerospace, and medical. AM offers the opportunity to transform design, manufacturing, and qualification with its unique capabilities. AM is a disruptive technology, allowing the capability to simultaneously create part and material while tightly controlling and monitoring the manufacturing process at the voxel level, with the inherent flexibility and agility in printing layer-by-layer. AM enables the possibility of measuring critical material and part parameters during manufacturing, thus changing the way we collect data, assess performance, and accept or qualify parts. It provides an opportunity to shift from the current iterative design-build-test qualification paradigm using traditional manufacturing processes to design-by-predictivity where requirements are addressed concurrently and rapidly. The new qualification paradigm driven by AM provides the opportunity to predict performance probabilistically, to optimally control the manufacturing process, and to implement accelerated cycles of learning. Exploiting these capabilities to realize a new uncertainty quantification-driven qualification that is rapid, flexible, and practical is the focus of this effort.
Funded through the IHNS/E&HS investment area for FY16-18, the RAPIER LDRD sought to evaluate the potential benefits and applicability of the new Oxford MinION nanopore sequencer to pathogen diagnostic applications in biodefense, biosurveillance, and global/public health. The project had four primary objectives: 1) to investigate the performance of the MinION sequencer while building facility with its operation, 2) to develop microfluidic library prep automation facilitating the use of the MinION in field-forward or point-of-care applications, 3) to leverage CRISPR/Cas9 technology to enable targeted identification of bacterial pathogens, and 4) to capitalize on the real- time data output capabilities of the MinION to enable rapid sequence-based diagnostics. While the rapid evolution of the MinION sequencing technology during the course of the project posed a number of challenges and required a reassessment of initial project priorities, it also provided unique opportunities, notably culminating in our development of the RUBRIC real-time selective sequencing software.
ParaView Catalyst is an API for accessing the scalable visualization infrastructure of ParaView in an in-situ context. In-situ visualization allows simulation codes to access data post-processing operations while the simulation is running. In-situ techniques can reduce data post-processing time, allow computational steering, and increase the resolution and frequency of data output. For a simulation code to use ParaView Catalyst, adapter code needs to be created that interfaces the simulations data structures to ParaView/VTK data structures. Under ATDM, Catalyst is to be integrated with SPARC, a code used for simulation of unsteady reentry vehicle flow.
Running visualization and analysis algorithms on ATS-1 platforms is a critical step for supporting ATDM apps at the exascale. We are leveraging VTK-m to port our algorithms to the ATS-specific hardware and ensuring that it runs well.
Frank, Jonathan H.; Chandler, David W.; Fournier, Martin P.M.; Jaska, Mark J.
This project explored a new capability for studying collisions of electrons and molecules with unprecedented accuracy by combining high electron-energy resolution with velocity mapped imaging of electrons. Low-energy electrons were produced within a supersonic beam by photoionization of metastable krypton using a dye laser to generate electrons with tunable kinetic energy and a narrow energy spread. A new configuration for electron imaging optics was developed to enable scattering of electrons in a zero-field environment with subsequent rapidly pulsed velocity mapped imaging of the electrons. Development of this new capability will significantly enhance DOE/NNSA's ability to perform basic research on processes relevant to plasmas in atmospheric re-entry and neutron generation for weapons systems and provide fundamental understanding of electron-driven chemistry important to solar energy conversion.
Sandia National Laboratories has tested and evaluated two Nanometrics Centaur digitizers. The Centaur digitizers are intended to record sensor output for seismic and infrasound monitoring applications. The purpose of this digitizer evaluation is to measure the performance characteristics in such areas as power consumption, input impedance, sensitivity, full scale, self- noise, dynamic range, system noise, response, passband, and timing. The Centaur digitizers are being evaluated for potential use in the International Monitoring System (IMS) of the Comprehensive Nuclear Test-Ban-Treaty Organization (CTBTO).
The research and development of new algorithmic and statistical methods of outbreak detection is an ongoing research priority in the field of biosurveillance. The early detection of emergent disease outbreaks is crucial for effective treatment and mitigation. New detection methods must be compared to established approaches for proper evaluation. This comparison requires biosurveillance test data that accurately reflects the complexity of the real-world data it will be applied to. While the test and evaluation of new detection methods is best performed on real data, it is often impractical to obtain such data as it is either proprietary or limited in scope. Thus, scientists must turn to synthetic data generation to provide enough data to properly eval- uate new detection methodologies. This paper evaluates three such synthetic data sources: The WSARE dataset, the Noufilay equation-based approach, and the Project Mimic data generator.
Outline points are: Review what is known from experiments and how codes are modeling phenomena; Materials interactions are very important and key interactions will be identified and discussed; Chronology of damage progression roughly follows in order of increasing melting/liquefaction temperatures; Examine a plausible sequence to explain robotic visual examinations; Highlight MELCOR modeling observations; Highlight potential decommissioning phase data collection needs; and, Knowledge advance is iterative process of reconciling observations with code predictions, improving code models, and comparing to emerging new observations.
Batteries are designed to store electrical energy. The increasing variation in time value of energy has driven the use of batteries as controllable distributed energy resources (DER). This is enabled though low-cost power electronic inverters that are able to precisely control charge and discharge. This paper describes the software implementation of an open-source battery inverter fleet models in python. The Sandia BatterylnverterFleet class model can be used by scientists, researchers, and engineers to perform simulations of one or more fleets of similar battery-inverter systems connected to the grid. The program tracks the state- of-charge of the simulated batteries and ensures that they stay within their limits while responding to separately generated service requests to charge or discharge. This can be used to analyze control and coordination, placement and sizing, and many other problems associated with the integration of batteries on the power grid. The development of these models along with their python implementation was funded by the Grid Modernization Laboratory Consortium (GMLC) project 1.4.2. Definitions, Standards and Test Procedures for Grid Services from Devices.
Process-induced residual stresses occur in composite structures composed of dissimilar materials. As these residual stresses can result in fracture, their consideration when designing composite parts is necessary. However, the experimental determination of residual stresses in prototype parts can be time and cost prohibitive. Alternatively, it is possible for computational tools to predict potential residual stresses. Therefore, a process modeling methodology was developed and implemented into Sandia National Laboratories' SIERRA/SolidMechanics code. This method can be used to predict the process-induced stresses in any composite structure, regardless of material composition or geometric complexity. However, to develop confidence in these predictions, they must be rigorously validated. Specifically, sensitivity studies should be completed to define which model parameters are critical to the residual stress predictions. Then, the uncertainty associated with those critical parameters should be quantified and processed through the model to develop stress-state predictions encompassing the most important sources of physical variability. Numerous sensitivity analysis and uncertainty quantification methods exist, each offering specific strengths and weaknesses. Therefore, the objective of this study is to compare the performance of several accepted sensitivity analysis and uncertainty quantification methods during the manufacturing process simulation of a composite structure. The examined methods include simple sampling techniques as well as more sophisticated surrogate approaches. The computational costs are assessed for each of the examined methods, and the results of the study indicate that the surrogate approaches are the most computationally efficient validation methods and are ideal for future residual stress investigations.
Trichloroethene (TCE) and nitrate have been identified as constituents of concern in groundwater at the Sandia National Laboratories, New Mexico (SNL/NM) Technical Area (TA)-V Groundwater (TAVG) Area of Concern (AOC) based on detections above the U.S. Environmental Protection Agency (EPA) maximum contaminant level (MCL) in samples collected from monitoring wells. The EPA MCLs and the State of New Mexico drinking water standards for TCE and nitrate are 5 micrograms per liter and 10 milligrams per liter (as nitrogen), respectively. A phased Treatability Study/Interim Measure (TS/IM) of in-situ bioremediation (ISB) is being implemented to evaluate the effectiveness of ISB as a potential technology to treat the groundwater contamination at the TAVG AOC (New Mexico Environment Department [NMED] April 2016). The NMED Hazardous Waste Bureau (HWB) approved the Revised Treatability Study Work Plan (TSWP) (SNL/NM March 2016) in May 2016 (NMED May 2016). The SNL/NM Environmental Restoration Operations personnel are responsible for implementing the TS/IM of ISB at TAVG AOC in accordance with the Revised TSWP. Per the Revised TSWP, up to three injection wells (TAV-INJ1, TAV-INJ2, and TAV-INJ3) would be installed at TA-V in the vicinity of the highest contaminant concentrations detected in groundwater at monitoring wells LWDS-MW1, TAV-MW6, and TAV-MW10. The injection wells would be used to gravity-inject substrate solution and biodegradation bacteria to groundwater. The substrate solution consists of an inert tracer as well as essential food and nutrients for biostimulation. The substrate solution would be prepared in aboveground tanks. The TS/IM would be conducted in two phases: Phase I includes a pilot test followed by full-scale injection at the first injection well (TAV-INJ1); Phase II includes full-scale injections at the second and third injection wells (TAV-INJ2 and TAV-INJ3). The NMED Ground Water Quality Bureau (GWQB) requires a groundwater Discharge Permit (DP) for the operation of injection wells. NMED GWQB issued the DP-1845 to the U.S. Department of Energy/National Nuclear Security Administration (DOE/NNSA) for the SNL/NM TA-V Treatability Study injection wells on May 26, 2017 (NMED May 2017). The DP-1845 term started on May 30, 2017 and ends on May 30, 2022. Attachment A provides a copy of DP-1845. This quarterly report provides responses to DP-1845 Operating Conditions Terms and Conditions #3 through #8 and Monitoring and Reporting Terms and Conditions #10 through #17 for the April 1 to June 30, 2018 reporting period. The other Terms and Conditions are NMED statements of fact and do not require a response.
In July 2010, Puerto Rico enacted the island's first Renewable Energy Portfolio Standard. But renewable integration requires energy storage. A 2015 renewable integration study estimated —100 MW of storage to get to 12% penetration.
A key component of most large-scale rendering systems is a parallel image compositing algorithm, and the most commonly used compositing algorithms are binary swap and its variants. Although shown to be very efficient, one of the classic limitations of binary swap is that it only works on a number of processes that is a perfect power of 2. Multiple variations of binary swap have been independently introduced to overcome this limitation and handle process counts that have factors that are not 2. To date, few of these approaches have been directly compared against each other, making it unclear which approach is best. This paper presents a fresh implementation of each of these methods using a common software framework to make them directly comparable. These methods to run binary swap with odd factors are directly compared. The results show that some simple compositing approaches work as well or better than more complex algorithms that are more difficult to implement.
The National Nuclear Security Administration's Tritium Sustainment Program is responsible for the design, development, demonstration, testing, analysis, and characterization of tritium-producing burnable absorber rods (TPBARs) and their components, in addition to producing tritium for the nation's strategic stockpile. The FY18 call for proposals included the specific basic science research topic, "Demonstration and evaluation of advanced characterization methods, particularly for quantifying the concentration of light isotopes (1H, 2H, and 4He, 6Li, and 7Li) in metal or ceramic matrices". A project IWO-389859 was awarded to the Ion Beam Lab (IBL) at Sandia-NM in FY18. This reports the success we had in developing and demonstrating such a method: 42 MeV Si+ 7 from the IBL' s Tandem was used to recoil these light isotopes into special detectors that separated all these isotopes by simultaneously measuring the energy and stopping power of these reoils. This technique, called Heavy Ion - Elastic Recoil Detection or HI-ERD, accurately measured the enriched 6 Li/Li-total of 0.246 +- 0.016, compared to the known value of 0.239. The isotopes 1H, 2H, 4He, 6Li and 7Li were also measured. (page intentionally left blank)
Water is a critical resource in the production of electric power. The purpose of this plan is to extend support to the nation's three electric interconnections toward integrating water issues into their long-range transmission planning. This continued support is at the request of the interconnections. The proposed program leverages prior support as well as that of other similarly focused efforts funded across the Department of Energy (DOE). The effort will utilize a project team lead by Sandia National Laboratories and supported by Argonne National Laboratory, National Renewable Energy Laboratory, and Pacific Northwest National Laboratory. The activities recorded here are meant to provide a menu of potential projects that could be implemented as available resources permit.
In this study we review literature on machine to machine (M2M) authentication and encryption pertaining to communication with grid-attached power inverters. We regard security recommendations from NIST, constrained device recommendations from CoAP, as well as influences from the existing markets. We will not focus on passwordless or multifactor schemes of user authentication, the handover/roaming authentication of mobile systems, or the group authentication of WiMAX/LTE communications. The de-facto standards for authentication and encryption are certificate-based public key cryptography and AES, respectively. While certificate-based public key cryptography is widely adopted, certificate management is seen as an Achilles heel of public key infrastructure (PKI). State of the art authentication system research includes work on certificateless authentication; however, much work in the areas of privacy preservation, efficient or lightweight systems continue to be based in public key methods. We will see efforts such as bilinear pairing, aggregate message authentication codes, one-time signatures, and Merkle trees surface and resurface with improved authentication approaches. Though research continues to produce new encryption schemes, AES prevails as a viable choice, as it can be implemented across a variety of resource constrained devices. Other lightweight encryption algorithms often employ the same fundamental addition-rotation-xor operations as AES while achieving higher efficiency, but at steep tradeoffs to security. Despite mathematical proofs of the security of cryptographic algorithms, in practice the greatest weaknesses continue to be incurred during implementation. Security researchers will find edge cases and bugs that allow unintentional behavior. In the following sections, accepted methodologies of authentication and encryption are discussed. Due diligence for securing M2M communications requires consideration during planning, design, implementation and product lifetime, as opposed to a set-it and forget-it policy. Best practices can be gleaned from published successes and failures, with no single end-all, be-all detailed solution.