This brief report explains the method used for parameter calibration and model validation in SST/Macro and the set of tools and workflow developed for this purpose.
We describe the isolation of West Nile virus (WNV; Flaviviridae, flavivirus) from blood of a Virginia opossum (Didelphis virginiana) collected in northwestern Missouri, USA in August 2012. Furthermore, sequencing determined that the virus was related to lineage 1a WNV02 strains. We discuss the role of wildlife in WNV disease epidemiology.
CINT’s role is to enable world-leading science towards realizing these benefits and our strategic objectives describe what is needed to deliver on this promise. As a vibrant partnership between Los Alamos National Laboratory (LANL) and Sandia National Laboratories (SNL), CINT leverages the unmatched scientific and engineering expertise of our host DOE Laboratories in an Office of Science open-access user facility to benefit hundreds of researchers annually. We have world-leading scientific expertise in four thrust areas, as described in section 1, and specialized capabilities to create, characterize and understand nanomaterials in increasingly complex integrated environments. Building upon these current strengths, we identify some of the capabilities and expertise that the nanoscience community will need in the future and that CINT is well positioned to develop and offer as a user facility. These include an expanding portfolio of our signature Discovery Platforms that can be used alone or as sophisticated “experiments within an experiment”; novel synthetic approaches for exquisitely heterostructured nanowires, nanoparticles and quasi-two-dimensional materials; ultra-high resolution spectroscopic techniques of nanomaterial dynamics; in situ microscopies that provide realtime, spatially-resolved structure/property information for increasingly complex materials systems; advanced simulation techniques for integrated nanomaterials; and multi-scale theory for interfaces and dynamics.
This report summarizes the assistance provided to Shafer Ranches, Inc., Hightower Ranch, and Western Environmental by Sandia National Laboratories under a Leveraged New Mexico Small Business Assistance grant. The work was conducted between April to November, 2014. Therefore, Sandia National Laboratories has been asked to investigate and develop a water treatment system that would result in reduced cost associated with infrastructure, maintenance, elimination of importing water, and improved cattle health.
This is the IDC Re-Engineering Phase 2 project Integrated Master Plan (IMP). The IMP presents the major accomplishments planned over time to re-engineer the IDC system. The IMP and the associate Integrated Master Schedule (IMS) are used for planning, scheduling, executing, and tracking the project technical work efforts.
Formal methods have come into wide use because of their effectiveness in verifying "safety and security" requirements of digital systems; a set of requirements for which testing is mostly ineffective. Formal methods are routinely used in the design and verification of high-consequence digital systems in industry. This report outlines our work in assessing the capabilities of commercial and open source formal tools and the ways in which they can be leveraged in digital design workflows.
Sandia’s development vision is to provide an agile, flexible, safer, more secure, and efficient enterprise that leverages the scientific and technical capabilities of the workforce and supports national security requirements in multiple areas. Sandia’s Five-Year Facilities & Infrastructure Planning program represents a tool to budget and prioritize immediate and short-term actions from indirect funding sources in light of the bigger picture of proposed investments from direct-funded, Work for Others and other funding sources. As a complementary F&I investment program, Sandia’s indirect investment program supports incremental achievement of the development vision within a constrained resource environment.
To fulfill the inception phase deliverable “Demonstration of architectural prototype“ the SNL IDC Reengineering project team is providing seven reports describing system prototyping work completed between October 2012 and October 2014as part of the SNL US NDC Modernization project.
This report is a progress update on the USNDC Modernization Service Oriented Architecture (SOA) study describing results from Inception Iteration 1, which occurred between October 2012 and March 2013. The goals during this phase are 1) discovering components of the system that have potential service implementations, 2) identifying applicable SOA patterns for data access, service interfaces, and service orchestration/choreography, and 3) understanding performance tradeoffs for various SOA patterns
This report is a progress update on the US NDC Modernization Service Oriented Architecture (SOA) study describing results from a proof of concept project completed from May through September 2013. Goals for this proof of concept are 1) gain experience configuring, using, and running an Enterprise Service Bus (ESB), 2) understand the implications of wrapping existing software in standardized interfaces for use as web services, and 3) gather performance metrics for a notional seismic event monitoring pipeline implemented using services with various data access and communication patterns. The proof of concept is a follow on to a previous SOA performance study. Work was performed by four undergraduate summer student interns under the guidance of Sandia staff.
During the first iteration of the US NDC Modernization Elaboration phase (E1), the SNL US NDC modernization project team completed an initial survey of applicable COTS solutions, and established exploratory prototyping related to the Common Object Interface (COI) in support of system architecture definition. This report summarizes these activities and discusses planned follow-on work.
During the first iteration of the US NDC Modernization Elaboration phase (E1), the SNL US NDC modernization project team developed an initial survey of applicable COTS solutions, and established exploratory prototyping related to the processing control framework in support of system architecture definition. This report summarizes these activities and discusses planned follow-on work.
During the second iteration of the US NDC Modernization Elaboration phase (E2), the SNL US NDC Modernization project team completed follow-on COTS surveys & exploratory prototyping related to the Object Storage & Distribution (OSD) mechanism, and the processing control software infrastructure. This report summarizes the E2 prototyping work.
During the second iteration of the US NDC Modernization Elaboration phase (E2), the SNL US NDC Modernization project team completed follow-on Rich Client Platform (RCP) exploratory prototyping related to the User Interface Framework (UIF). The team also developed a survey of browser-based User Interface solutions and completed exploratory prototyping for selected solutions. This report presents the results of the browser-based UI survey, summarizes the E2 browser-based UI and RCP prototyping work, and outlines a path forward for the third iteration of the Elaboration phase (E3).
Dwyer, Stephen F.; Sanchez, Alfred; Campos, Ivan A.; Gerstle, Walter H.
Engineering certification for the installation of solar photovoltaic (PV) modules on wood roofs is often denied because existing wood roofs do not meet structural design codes. This work is intended to show that many roofs are actually sufficiently strong given the conservatism in codes, documented allowable strengths, roof structure system effects, and beam composite action produced by joist-sheathing interaction. This report provides results from a testing program to provide actual load carrying capacity of residential rooftops. The results reveal that the actual load carrying capacity of structural members and systems tested are significantly stronger than allowable loads provided by the International Residential Code (IRC 2009) and the national structural code found in Minimum Design Loads for Buildings and Other Structures (ASCE 7-10). Engineering analysis of residential rooftops typically ignores the system affects and beam composite action in determining rooftop stresses given a potential PV installation. This extreme conservatism combined with conservatism in codes and published allowable stress values for roof building materials (NDS 2012) lead to the perception that well built homes may not have adequate load bearing capacity to enable a rooftop PV installation. However, based on the test results presented in this report of residential rooftop structural systems, the actual load bearing capacity is several times higher than published values (NDS 2012).
Residential rooftop solar panel installations are limited in part by the high cost of structural related code requirements for field installation. Permitting solar installations is difficult because there is a belief among residential permitting authorities that typical residential rooftops may be structurally inadequate to support the additional load associated with a photovoltaic (PV) solar installation. Typical engineering methods utilized to calculate stresses on a roof structure involve simplifying assumptions that render a complex non-linear structure to a basic determinate beam. This method of analysis neglects the composite action of the entire roof structure, yielding a conservative analysis based on a rafter or top chord of a truss. Consequently, the analysis can result in an overly conservative structural analysis. A literature review was conducted to gain a better understanding of the conservative nature of the regulations and codes governing residential construction and the associated structural system calculations.
A number of important energy and defense-related applications would benefit from sensors capable of withstanding extreme temperatures (>300°C). Examples include sensors for automobile engines, gas turbines, nuclear and coal power plants, and petroleum and geothermal well drilling. Military applications, such as hypersonic flight research, would also benefit from sensors capable of 1000° C. Silicon carbide (SiC) has long been recognized as a promising material for harsh environment sensors and electronics. Yet today, many advanced SiC MEMS are limited to lower temperatures because they are made from SiC films deposited on silicon wafers. Other limitations arise from sensor transduction by measuring changes in capacitance or resistance, which require biasing or modulation schemes that can withstand elevated temperatures. We circumvented these issues by developing sensing structures directly on SiC wafers using SiC and aluminum nitride (AlN), a high temperature capable piezoelectric material, thin films.
The Gamma Detector Response and Analysis Software - Detector Response Function (GADRAS-DRF) application computes the response of gamma-ray and neutron detectors to incoming radiation. This manual provides step-by-step procedures to acquaint new users with the use of the application. The capabilities include characterization of detector response parameters, plotting and viewing measured and computed spectra, analyzing spectra to identify isotopes, and estimating source energy distributions from measured spectra. GADRAS-DRF can compute and provide detector responses quickly and accurately, giving users the ability to obtain usable results in a timely manner (a matter of seconds or minutes).
During the first iteration of the US NDC Modernization Elaboration phase (E1), the SNL US NDC modernization project team completed an initial survey of applicable COTS solutions, and established exploratory prototyping related to the User Interface Framework (UIF) in support of system architecture definition. This report summarizes these activities and discusses planned follow-on work.
This presentation describes crude oils, their phase behavior, the SPR vapor pressure program, and presents data comparisons from various analytical techniques. The overall objective is to describe physical properties of crude oil relevant to flammability and transport safety
This research project has the objective to extend the range of application, improve the efficiency and conduct simulations with the Fast Lubrication Dynamics (FLD) algorithm for concentrated particle suspensions in a Newtonian fluid solvent. The research involves a combination of mathematical development, new computational algorithms, and application to processing flows of relevance in materials processing. The mathematical developments clarify the underlying theory, facilitate verification against classic monographs in the field and provide the framework for a novel parallel implementation optimized for an OpenMP shared memory environment. The project considered application to consolidation flows of major interest in high throughput materials processing and identified hitherto unforeseen challenges in the use of FLD in these applications. Extensions to the algorithm have been developed to improve its accuracy in these applications.
The increasing demand of lithium ion batteries for vehicle electrification is changing the typical use conditions that batteries may see. Over time, batteries may develop defects that are difficult to detect with traditional measurements. It is also possible that batteries may be left in an unknown state after failure of the monitoring system, loss of communication, or a potentially damaging event (such as an auto accident). It is therefore useful to explore other monitoring and interrogation methods that can better determine the stability of a battery in an unknown state. This work explores the use of electrochemical impedance spectroscopy as a method to determine the stability of batteries by observing changes in the complex impedance measurement as the cell is exposed to abusive conditions. Very dramatic changes to the internal resistance were observed when single cells were exposed to abusive conditions, suggesting that even single frequency impedance measurements could be effective with single cells. However tests on three cell series and parallel strings yielded smaller changes, primarily to the charge transfer resistance, showing that complex impedance measurements are more appropriate as the system increases in complexity. A rapid impedance tool developed at Idaho National Laboratory was tested and compared to traditional potentiostat tools as well. This was shown to yield similar data to the traditional tools, providing a potential method for continuous monitoring of a battery system. It was observed, however, that shifts in the data are difficult to detect in very transient systems.
This document contains the system specifications derived to satisfy the system requirements found in the IDC System Requirements Document for the IDC Reengineering Phase 2 project.
United States nuclear power plant Licensee Event Reports (LERs), submitted to the United States Nuclear Regulatory Commission (NRC) under law as required by 10 CFR 50.72 and 50.73 were evaluated for reliance to the United Kingdom’s Health and Safety Executive – Office for Nuclear Regulation’s (ONR) general design assessment of the Advanced Boiling Water Reactor (ABWR) design. An NRC compendium of LERs, compiled by Idaho National Laboratory over the time period January 1, 2000 through March 31, 2014, were sorted by BWR safety system and sorted into two categories: those events leading to a SCRAM, and those events which constituted a safety system failure. The LERs were then evaluated as to the relevance of the operational experience to the ABWR design.
This report provides a short overview of the DNN R&D funded project SL12-Optlmg-PD2Nc, Optimal Imaging for Treaty Verification. The project began in FY12 and in FY15 is merging with a PNNL project to form the PL14-V-InfoBarrierimg-PD2Nc venture. The Project Description below provides the overall motivation and objectives for the project as well as a summary of programmatic direction. The most recent comprehensive technical report is referenced.
This paper aims to evaluate the survival of O-rings made with six different elastomeric polymers, EPDM, type I- and II-FKM, FEPM, FFKM, and FSR, in five different simulated geothermal environments at 300°C. It further defines the relative strengths and weaknesses of the materials in each environment. The environments tested were: 1) non-aerated steam-cooling cycles, 2) aerated steam-cooling cycles, 3) water-based drilling fluid, 4) CO2-rich geo-brine fluid, and, 5) heat-cool water quenching cycles. Following exposure, the extent of oxidation, oxidationinduced degradation, thermal behaviors, micro-defects, permeation depths of ionic species present in environments throughout the O-ring, silicate-related scale-deposition, and changes in mechanical properties were assessed.
Foam materials are used to protect sensitive components from impact loading. In order to predict and simulate the foam performance under various loading conditions, a validated foam model is needed and the mechanical properties of foams need to be characterized. Uniaxial compression and tension tests were conducted for different densities of foams under various temperatures and loading rates. Crush stress, tensile strength, and elastic modulus were obtained. A newly developed confined compression experiment provided data for investigating the foam flow direction. A biaxial tension experiment was also developed to explore the damage surface of a rigid polyurethane foam.
The recipients of the 2014 NSREC Outstanding Conference Paper Award are Nathaniel A. Dodds, James R. Schwank, Marty R. Shaneyfelt, Paul E. Dodd, Barney L. Doyle, Michael Trinczek, Ewart W. Blackmore, Kenneth P. Rodbell, Michael S. Gordon, Robert A. Reed, Jonathan A. Pellish, Kenneth A. LaBel, Paul W. Marshall, Scot E. Swanson, Gyorgy Vizkelethy, Stuart Van Deusen, Frederick W. Sexton, and M. John Martinez, for their paper entitled "Hardness Assurance for Proton Direct Ionization-Induced SEEs Using a High-Energy Proton Beam." For older CMOS technologies, protons could only cause single-event effects (SEEs) through nuclear interactions. Numerous recent studies on 90 nm and newer CMOS technologies have shown that protons can also cause SEEs through direct ionization. Furthermore, this paper develops and demonstrates an accurate and practical method for predicting the error rate caused by proton direct ionization (PDI).
This report describes initial testing of the NG Sensor GTX-1000 natural gas monitoring system. This testing showed that the retention time, peak area stability and heating value repeatability of the GTX-1000 were promising for natural gas measurements in the field or at the well head. The repeatability can be less than 0.25% for LHV and HHV for the Airgas standard tested in this report, which is very promising for a first generation prototype. Ultimately this system should be capable of 0.1% repeatability in heating value at significant size and power reductions compared with competing systems.
To fill a major knowledge gap, Sandia National Laboratories (SNL) and the Electric Power Research Institute (EPRI) are jointly engaged in a multi-year research effort, supported by the Department of Energy’s SunShot Program, to examine real-world photovoltaic (PV) plant reliability and performance. Findings and analyses, derived from field data documented in the PV Reliability Operations Maintenance (PVROM) database tool as well as from convened workshops and working group discussions, are intended to inform industry best practices around the optimal operations and maintenance (O&M) of solar PV assets. To improve upon and evolve existing solar PV O&M approaches, this report: 1. Provides perspective on the concept of PV “system” reliability and how it can inform plant design, operations, and maintenance decisions that produce better long-term outcomes; 2. Describes the PVROM data collection tool, its technical capabilities, and results generated from database content in 2014; 3. Presents ongoing research efforts that are meant to drive the solar industry toward PV O&M best practice protocols and standards; and 4. Reflects on future areas of inquiry that can help better forecast plant health (e.g., system component availability, component wear out, etc.) and associated lifecycle costs. Ultimately, this report adds to the knowledge base of improving PV system O&M activities by discussing data collection and analysis techniques that can be used to better understand and enhance the reliability, availability, and performance of a photovoltaic system.
This report summarizes the work done in the first year of LDRD 2014-0788, titled "Advanced Uncertainty Quantification Methods for Circuit Simulation." This is a working report, created to document the methods and algorithms we investigated during the first year of this LDRD.
The emergence of high-concurrency architectures offering unprecedented performance has brought many high-performance partial differential equation (PDE) discretization codes to the precipice of a major refactor. To help address this challenge a workshop titled "Algorithms and Abstractions for Assembly in PDE Codes" was held in the Computer Science Research Institute at Sandia National Laboratories on May 12th-14th, 2014. This document summarizes the goals of the workshop and the results of the presentations and subsequent discussions.
Disclaimer: The following document includes draft certification protocols and should not be viewed as a consensus-based performance standard. Distributed energy resources (DERs), such as photovoltaic (PV) systems, when deployed in a large scale, are capable of significantly influencing the operation of bulk and local power systems. Looking to the future, European and American stakeholders are working on standards to make it possible to manage the potentially complex interactions between DER and the power system. One of the jurisdictions considering modifications to the DER interconnection requirements is California. To determine what changes could improve electric grid reliability and allow greater penetrations of renewable energy, the California Public Utilities Commission (CPUC) and the California Energy Commission (CEC), in conjunction with consultant Frances Cleveland, convened the Smart Inverter Working Group (SIWG) in January 2013. The SIWG--composed of state agencies, utility engineers, national laboratories, manufacturers, trade associations, and advocacy groups--provided the CPUC a set of recommendations in early 2014 1 . The recommendations included specific advanced DER functions and interoperability requirements, along with a proposed timeline, for California to add new capabilities to grid-interconnected DER. On August 18, 2014 the three California Investor-Owned Utilities (IOUs)--Pacific Gas and Electric Company (PG&E), Southern California Edison Company (SCE) and San Diego Gas & Electric Company (SDG&E)--drafted a Advice Letter filing to the CPUC setting forth revisions to Electric Tariff Rule 21 to conform to the seven recommendations made by the Working Group 2 . After a comment period, the CPUC issued an update to the IOU recommendations 3 . At the time of this publication, there was no final legal ruling on the CPUC Rulemaking (R.) 11-09-011 ("Order Instituting Rulemaking on the Commission's Own Motion to improve distribution level interconnection rules and regulations for certain classes of electric generators and electric storage resources"). In the U.S., Nationally Recognized Test Laboratories (NRTLs) independently verify products to safety and functional standards. PV inverters are certified to Underwriters Laboratories (UL) Standard 1741 4 . However, new advanced inverter functions described in the SIWG and IOU proposals are not included in this standard, so there is a critical need to develop test protocols for these functions in preparation of a positive ruling by the CPUC. Through a California Solar Initiative Grant, Sandia National Laboratories (Sandia or SNL), Underwriters Laboratories (UL), Electric Power Research Institute, Inc. (EPRI), Xanthus Consulting, SunSpec Alliance, Loggerware, and utility and PV inverter manufacturers have collaborated to draft this certification protocol for the Rule 21 SIWG Phase 1 advanced inverter functions. This report also includes test procedures for Phase 2 and Phase 3 functions that will be demonstrated later in the CSI4 project. This collaborative effort was performed in close junction with the UL 1741 Standards Technical Panel (STP) working group. This document represents a snapshot of the draft testing protocols at the time of publication and not a consensus certification protocol for advanced inverters. 1 California Public Utilities Commission, "Recommendations for Updating the Technical Requirements for Inverters in Distributed Energy Resources, Smart Inverter Working Group Recommendations," Filed 7 Feb 2014. 2 J.J. Newlander, R.G. Litteneker, S.W. Walter, M. Dwyer, Joint motion of Pacific Gas and Electric Company (U 39 E), Southern California Edison Company (U 338 E) and San Diego Gas & Electric Company (U 902 E) regarding implementation of smart inverter functionalities, Rulemaking 11-09-011 Advice Letter, 18 July, 2014. 3 J.T. Sullivan, CPUC Rulemaking 11-09-011 Agenda ID #13460, 13 Nov, 2014. 4 Underwriters Laboratories Std. 1741 Ed. 2, "Inverters, Converters, Controllers and Interconnection System Equipment for use with Distributed Energy Resources," 2010.
Magnetically-driven, planar shockless-compression experiments to multi-megabar pressures were performed on tantalum samples using a stripline target geometry. Free-surface velocity waveforms were measured in 15 cases; nine of these in a dual-sample configuration with two samples of different thicknesses on opposing electrodes, and six in a single-sample configuration with a bare electrode opposite the sample. Details are given on the application of inverse Lagrangian analysis (ILA) to these data, including potential sources of error. The most significant source of systematic error, particularly for single-sample experiments, was found to arise from the pulse-shape dependent free-surface reflected wave interactions with the deviatoric-stress response of tantalum. This could cause local, possibly temporary, unloading of material from a ramp compressed state, and thus multi-value response in wave speed that invalidates the free-surface to in-material velocity mapping step of ILA. By averaging all 15 data sets, a final result for the principal quasi-isentrope of tantalum in stress-strain was obtained to a peak longitudinal stress of 330GPa with conservative uncertainty bounds of ±4.5% in stress. The result agrees well with a tabular equation of state developed at Los Alamos National Laboratory.
The metrics used for evaluating energy saving techniques for future HPC systems are critical to the correct assessment of proposed methods. Current predictions forecast that overcoming reduced system reliability, increased power requirements and energy consumption will be a major design challenge for future systems. Modern runtime energy-saving research efforts do not take into account the energy spent providing reliability. They also do not account for the increase in the probability of failure during application execution due to runtime overhead from energy saving methods. While this is very reasonable for current systems, it is insufficient for future generation systems. By taking into account the energy consumption ramifications of increased runtimes on system reliability, better energy saving techniques can be developed. This paper demonstrates how to determine the impact of runtime energy conservation methods within the context of failure-prone large scale systems. In addition, a survey of several energy savings methodologies is conducted and an analysis is performed with respect to their effectiveness in an environment in which failures occur.
Coordination languages are an established programming model for distributed computing, but have been largely eclipsed by message passing (MPI) in scientific computing. In contrast to MPI, parallel workers never directly communicate, instead 'coordinating' indirectly via key-value store puts and gets. Coordination often focuses on program expressiveness, making parallel codes easier to implement. However, coordination also benefits resilience since the key-value store acts as a virtualization layer. Coordination languages (notably Linda) were therefore leading candidates for fault-tolerance in the early '90s. We present the FOX tuple space framework, an extension of Linda ideas focused primarily on transitioning MPI codes to coordination programming. We demonstrate the notion of 'MPI Perturbation Theory,' showing how MPI codes can be naturally generalized to the tuple-space framework. We also consider details of high-performance interconnects, showing how intelligent use of RDMA hardware allows virtualization with minimal added latency. The framework is shown to be resilient to degradation of individual nodes, automatically rebalancing for minimal performance loss. Future fault-tolerant extensions are discussed.
Journal of the Optical Society of America. Part B, Optical Physics
Hendrickson, Scott M.; Foster, Amy C.; Camacho, Ryan C.; Clader, B.D.
In this paper, we provide a review of recent progress in integrated nonlinear photonics with a focus on emerging applications in all-optical signal processing, ultra-low-power all-optical switching, and quantum information processing.
Talin, Albert A.; Leite, Marina S.; Abashin, Maxim; Lezec, Henri J.; Gianfrancesco, Anthony; Zhitenev, Nikolai B.
The local collection characteristics of grain interiors and grain boundaries in thin-film CdTe polycrystalline solar cells are investigated using scanning photocurrent microscopy. The carriers are locally generated by light injected through a small aperture (50-300 nm) of a near-field scanning optical microscope in an illumination mode. Possible influence of rough surface topography on light coupling is examined and eliminated by sculpting smooth wedges on the granular CdTe surface. By varying the wavelength of light, nanoscale spatial variations in external quantum efficiency are mapped. We find that the grain boundaries (GBs) are better current collectors than the grain interiors (GIs). The increased collection efficiency is caused by two distinct eff ects associated with the material composition of GBs. First, GBs are charged, and the corresponding built-in field facilitates the separation and the extraction of the photogenerated carriers. Second, the GB regions generate more photocurrent at long wavelength corresponding to the band edge, which can be caused by a smaller local band gap. Resolving carrier collection with nanoscale resolution in solar cell materials is crucial for optimizing the polycrystalline device performance through appropriate thermal processing and passivation of defects and surfaces. (Figure Presented).
The transient degradation of semiconductor device performance under irradiation has long been an issue of concern. Neutron irradiation can instigate the formation of quasi-stable defect structures, thereby introducing new energy levels into the bandgap that alter carrier lifetimes and give rise to such phenomena as gain degradation in bipolar junction transistors. Normally, the initial defect formation phase is followed by a recovery phase in which defect-defect or defect-dopant interactions modify the characteristics of the damaged structure. A kinetic Monte Carlo (KMC) code has been developed to model both thermal and carrier injection annealing of initial defect structures in semiconductor materials. The code is employed to investigate annealing in electron-irradiated, p-type silicon as well as the recovery of base current in silicon transistors bombarded with neutrons at the Los Alamos Neutron Science Center (LANSCE) “Blue Room” facility. Our results reveal that KMC calculations agree well with these experiments once adjustments are made, within the appropriate uncertainty bounds, to some of the sensitive defect parameters.
We report in this letter experimental results that confirm the two-dimensional nature of the electron systems in a superlattice structure of 40 InN quantum wells consisting of one monolayer of InN embedded between 10 nm GaN barriers. The electron density and mobility of the two-dimensional electron system (2DES) in these InN quantum wells are 5 × 1015cm-2 (or 1.25 × 1014cm-2 per InN quantum well, assuming all the quantum wells are connected by diffused indium contacts) and 420 cm2/Vs, respectively. Moreover, the diagonal resistance of the 2DES shows virtually no temperature dependence in a wide temperature range, indicating the topological nature of the 2DES.
For this study, a planar microbattery that enables various in situ measurements of lithiation of 2D materials on the individual-flake scale is developed. A large conductivity increase of thick MoS2 crystallite lithiation due to the formation of a percolative Mo nanoparticle network embedded in a Li2S matrix is observed. The nanoscale study leads to the development of a novel charging strategy for batteries that largely improves the capacity and cycling performance confirmed in bulk MoS2/Li coin cells.
We demonstrate a dual-axis accelerometer and gyroscope atom interferometer, which can form the building blocks of a six-axis inertial measurement unit. By recapturing the atoms after the interferometer sequence, we maintain a large atom number at high data rates of 50 to 100 measurements per second. Two cold ensembles are formed in trap zones located a few centimeters apart and are launched toward one another. During their ballistic trajectory, they are interrogated with a stimulated Raman sequence, detected, and recaptured in the opposing trap zone. We achieve sensitivities at μg/Hz and (μrad/s)/Hz levels, making this a compelling prospect for expanding the use of atom interferometer inertial sensors beyond benign laboratory environments.
Mechanical modeling was undertaken to support the Waste Isolation Pilot Plant (WIPP) technical assessment team (TAT) investigating the February 14th 2014 event where there was a radiological release at the WIPP. The initial goal of the modeling was to examine if a mechanical model could inform the team about the event. The intention was to have a model that could test scenarios with respect to the rate of pressurization. It was expected that the deformation and failure (inability of the drum to contain any pressure) would vary according to the pressurization rate. As the work progressed there was also interest in using the mechanical analysis of the drum to investigate what would happen if a drum pressurized when it was located under a standard waste package. Specifically, would the deformation be detectable from camera views within the room. A finite element model of a WIPP 55-gallon drum was developed that used all hex elements. Analyses were conducted using the explicit transient dynamics module of Sierra/SM to explore potential pressurization scenarios of the drum. Theses analysis show similar deformation patterns to documented pressurization tests of drums in the literature. The calculated failure pressures from previous tests documented in the literature vary from as little as 16 psi to 320 psi. In addition, previous testing documented in the literature shows drums bulging but not failing at pressures ranging from 69 to 138 psi. The analyses performed for this study found the drums failing at pressures ranging from 35 psi to 75 psi. When the drums are pressurized quickly (in 0.01 seconds) there is significant deformation to the lid. At lower pressurization rates the deformation of the lid is considerably less, yet the lids will still open from the pressure. The analyses demonstrate the influence of pressurization rate on deformation and opening pressure of the drums. Analyses conducted with a substantial mass on top of the closed drum demonstrate that the drums will still open provided the pressure is high enough. Investigation teams should look for displaced drum lids when searching for drums that have pressurized and failed. The mechanical modeling study for this program is summarized in the following memo. Following a brief introduction, there is a summary of a brief literature review of previous pressure testing of drums, an explanation of the model, presentation of the key results, some discussion, and concluding with a summary and key points.
A waste drum located 2150 feet underground may have been the root cause of a radiation leak on February 14, 2014. Information provided to the WIPP Technical Assessment Team (TAT) was used to describe the approximate content of the drum, which included an organic cat litter (Swheat Scoop®, or Swheat) composed of 100% wheat products. The drum also contained various nitrate salts, oxalic acid, and a nitric acid solution that was neutralized with triethanolamine (TEA). CTH-TIGER was used with the approximate drum contents to specify the products for an exothermic reaction for the drum. If an inorganic adsorbent such as zeolite had been used in lieu of the kitty litter, the overall reaction would have been endothermic. Dilution with a zeolite adsorbent might be a useful method to remediate drums containing organic kitty litter. SIERRA THERMAL was used to calculate the pressurization and ignition of the drum. A baseline simulation of drum 68660 was performed by assuming a background heat source of 0.5-10 W of unknown origin. The 0.5 W source could be representative of heat generated by radioactive decay. The drum ignited after about 70 days. Gas generation at ignition was predicted to be 300-500 psig with a sealed drum (no vent). At ignition, the wall temperature increases modestly by about 1°C, demonstrating that heating would not be apparent prior to ignition. The ignition location was predicted to be about 0.43 meters above the bottom center portion of the drum. At ignition only 3-5 kg (out of 71.6 kg total) has been converted into gas, indicating that most of the material remained available for post-ignition reaction.
Stochastic unit commitment models typically handle uncertainties in forecast demand by considering a finite number of realizations from a stochastic process model for loads. Accurate evaluations of expectations or higher moments for the quantities of interest require a prohibitively large number of model evaluations. In this paper we propose an alternative approach based on using surrogate models valid over the range of the forecast uncertainty. We consider surrogate models based on Polynomial Chaos expansions, constructed using sparse quadrature methods. Considering expected generation cost, we demonstrate that the approach can lead to several orders of magnitude reduction in computational cost relative to using Monte Carlo sampling on the original model, for a given target error threshold.
Power and energy concerns are motivating chip manufacturers to consider future hybrid-core processor designs that may combine a small number of traditional cores optimized for single-thread performance with a large number of simpler cores optimized for throughput performance. This trend is likely to impact the way in which compute resources for network protocol processing functions are allocated and managed. In particular, the performance of MPI match processing is critical to achieving high message throughput. In this paper, we analyze the ability of simple and more complex cores to perform MPI matching operations for various scenarios in order to gain insight into how MPI implementations for future hybrid-core processors should be designed.
We present a Green-Kubo method to spatially resolve transport coefficients in compositionally heterogeneous mixtures. We develop the underlying theory based on well-known results from mixture theory, Irving-Kirkwood field estimation, and linear response theory. Then, using standard molecular dynamics techniques, we apply the methodology to representative systems. With a homogeneous salt water system, where the expectation of the distribution of conductivity is clear, we demonstrate the sensitivities of the method to system size, and other physical and algorithmic parameters. Then we present a simple model of an electrochemical double layer where we explore the resolution limit of the method. In this system, we observe significant anisotropy in the wall-normal vs. transverse ionic conductances, as well as near wall effects. Finally, we discuss extensions and applications to more realistic systems such as batteries where detailed understanding of the transport properties in the vicinity of the electrodes is of technological importance.
Rempe, Susan; Fu, Yaqin; Li, Binsong; Jiang, Ying B.; Dunphy, Darren R.; Tsai, Andy; Tam, Siu Y.; Fan, Hongyou; Zhang, Hongxia; Rogers, David; Atanassov, Plamen; Cecchi, Joseph L.; Brinker, C.J.
l-Alanine polypeptide thin films were synthesized via atomic layer deposition (ALD). Instead of using an amino acid monomer as the precursor, an l-alanine amino acid derivatized with a protecting group was used to prevent self-polymerization, increase the vapor pressure, and allow linear cycle-by-cycle growth emblematic of ALD. The successful deposition of a conformal polypeptide film has been confirmed by FTIR, TEM, and Mass Spectrometry, and the ALD process has been extended to polyvaline.
We use Sandia's Z machine and magnetically accelerated flyer plates to shock compress liquid krypton to 850 GPa and compare with results from density-functional theory (DFT) based simulations using the AM05 functional. We also employ quantum Monte Carlo calculations to motivate the choice of AM05. We conclude that the DFT results are sensitive to the quality of the pseudopotential in terms of scattering properties at high energy/temperature. A new Kr projector augmented wave potential was constructed with improved scattering properties which resulted in excellent agreement with the experimental results to 850 GPa and temperatures above 10 eV (110 kK). Finally, we present comparisons of our data from the Z experiments and DFT calculations to current equation of state models of krypton to determine the best model for high energy-density applications.
This paper investigates the effects of high dose rate ionizing radiation and total ionizing dose (TID) on tantalum oxide (TaOx) memristors. Transient data were obtained during the pulsed exposures for dose rates ranging from approximately 5.0 ×107 rad(Si)/s to 4.7 ×108 rad(Si)/s and for pulse widths ranging from 50 ns to 50 μs. The cumulative dose in these tests did not appear to impact the observed dose rate response. Static dose rate upset tests were also performed at a dose rate of ~3.0 ×108 rad(Si)/s. This is the first dose rate study on any type of memristive memory technology. In addition to assessing the tolerance of TaOx memristors to high dose rate ionizing radiation, we also evaluated their susceptibility to TID. The data indicate that it is possible for the devices to switch from a high resistance off-state to a low resistance on-state in both dose rate and TID environments. The observed radiation-induced switching is dependent on the irradiation conditions and bias configuration. Furthermore, the dose rate or ionizing dose level at which a device switches resistance states varies from device to device; the enhanced susceptibility observed in some devices is still under investigation. As a result, numerical simulations are used to qualitatively capture the observed transient radiation response and provide insight into the physics of the induced current/voltages.
Product formation from R + O2 reactions relevant to low-temperature autoignition chemistry was studied for 2,5-dimethylhexane, a symmetrically branched octane isomer, at 550 and 650 K using Cl-atom initiated oxidation and multiplexed photoionization mass spectrometry (MPIMS). Interpretation of time- and photon-energy-resolved mass spectra led to three specific results important to characterizing the initial oxidation steps: (1) quantified isomer-resolved branching ratios for HO2 + alkene channels; (2) 2,2,5,5-tetramethyltetrahydrofuran is formed in substantial yield from addition of O2 to tertiary 2,5-dimethylhex-2-yl followed by isomerization of the resulting ROO adduct to tertiary hydroperoxyalkyl (QOOH) and exhibits a positive dependence on temperature over the range covered leading to a higher flux relative to aggregate cyclic ether yield. The higher relative flux is explained by a 1,5-hydrogen atom shift reaction that converts the initial primary alkyl radical (2,5-dimethylhex-1-yl) to the tertiary alkyl radical 2,5-dimethylhex-2-yl, providing an additional source of tertiary alkyl radicals. Quantum-chemical and master-equation calculations of the unimolecular decomposition of the primary alkyl radical reveal that isomerization to the tertiary alkyl radical is the most favorable pathway, and is favored over O2-addition at 650 K under the conditions herein. The isomerization pathway to tertiary alkyl radicals therefore contributes an additional mechanism to 2,2,5,5-tetramethyltetrahydrofuran formation; (3) carbonyl species (acetone, propanal, and methylpropanal) consistent with β-scission of QOOH radicals were formed in significant yield, indicating unimolecular QOOH decomposition into carbonyl + alkene + OH. (Chemical Equation Pesented).
We have examined how different cleaning processes affect the laser-induced damage threshold of antireflection coatings for large dimension, Z-Backlighter laser optics at Sandia National Laboratories. Laser damage thresholds were measured after the coatings were created, and again 4 months later to determine which cleaning processes were most effective. There is a nearly twofold increase in laser-induced damage threshold between the antireflection coatings that were cleaned and those that were not cleaned. Aging of the coatings after 4 months resulted in even higher laser-induced damage thresholds. Also, the laser-induced damage threshold results revealed that every antireflection coating had a high defect density, despite the cleaning process used, which indicates that improvements to either the cleaning or deposition processes should provide even higher laser-induced damage thresholds.
The low-energy proton energy spectra of all shielded space environments have the same shape. This shape is easily reproduced in the laboratory by degrading a high-energy proton beam, producing a high-fidelity test environment. We use this test environment to dramatically simplify rate prediction for proton direct ionization effects, allowing the work to be done at high-energy proton facilities, on encapsulated parts, without knowledge of the IC design, and with little or no computer simulations required. Proton direct ionization (PDI) is predicted to significantly contribute to the total error rate under the conditions investigated. Scaling effects are discussed using data from 65-nm, 45-nm, and 32-nm SOI SRAMs. These data also show that grazing-angle protons will dominate the PDI-induced error rate due to their higher effective LET, so PDI hardness assurance methods must account for angular effects to be conservative. As a result, we show that this angular dependence can be exploited to quickly assess whether an IC is susceptible to PDI.
Our work presents a method to adaptively refine reduced-order models a posteriori without requiring additional full-order-model solves. The technique is analogous to mesh-adaptive h-refinement: it enriches the reduced-basis space online by ‘splitting’ a given basis vector into several vectors with disjoint support. The splitting scheme is defined by a tree structure constructed offline via recursive k-means clustering of the state variables using snapshot data. This method identifies the vectors to split online using a dual-weighted-residual approach that aims to reduce error in an output quantity of interest. The resulting method generates a hierarchy of subspaces online without requiring large-scale operations or full-order-model solves. Furthermore, it enables the reduced-order model to satisfy any prescribed error tolerance regardless of its original fidelity, as a completely refined reduced-order model is mathematically equivalent to the original full-order model. Experiments on a parameterized inviscid Burgers equation highlight the ability of the method to capture phenomena (e.g., moving shocks) not contained in the span of the original reduced basis.
Strategy document and tentative schedule for testing of HyRAM, a software toolkit that integrates data and methods relevant to assessing the safety of hydrogen fueling and storage infrastructure. Because proposed and existing features in HyRAM that support testing are important factors in this discussion, relevant design considerations of HyRAM are also discussed. However, this document does not cover all of HyRAM desig n, nor is the full HyRAM software development schedule included.
Ihlefeld, Jon F.; Brennecka, Geoff; Henriques, Alexandra; Graham, Joseph T.; Landsberger, Sheldon; Brown, Donald W.; Forrester, Jennifer S.; Jones, Jacob L.
Piezoelectric and ferroelectric materials are useful as the active element in non-destructive monitoring devices for high-radiation areas. Here, crystallographic structural refinement (i.e., the Rietveld method) is used to quantify the type and extent of structural changes in PbZr0.5Ti0.5O3 after exposure to a 1 MeV equivalent neutron fluence of 1.7×1015 neutrons/cm2. The results showa measurable decrease in the occupancy of Pb and O due to irradiation, with O vacancies in the tetragonal phase being created preferentially on one of the two Osites. The results demonstrate a method by which the effects of radiation on crystallographic structure may be investigated.
Grest, Gary S.; Aryal, Dipak; Etampawala, Thusitha; Perahia, Dvora
Structured polymers offer a means to tailor transport pathways within mechanically stable manifolds. The building block of such a membrane is examined, namely a single large pentablock co-polymer that consists of a center block of a randomly sulfonated polystyrene, designed for transport, tethered to poly-Ethylene-R-Propylene and end-Capped by poly-T-Butyl styrene, for mechanical stability, using molecular dynamics simulations. The polymer structure in a cyclohexane-Heptane mixture, a technologically viable solvent, and in water, a poor solvent for all segments and a ubiquitous substance is extracted. In all solvents the pentablock collapsed into nearly spherical aggregates where the ionic block is segregated. In hydrophobic solvents, the ionic block resides in the center, surrounded by swollen intermix of flexible and end blocks. In water all blocks are collapsed with the sulfonated block residing on the surface. Our results demonstrate that solvents drive different local nano-Segregation, providing a gateway to assemble membranes with controlled topology.
Industrial control systems (ICSs) rely on embedded devices to control essential processes. State-of-the-art security solutions can't detect attacks on these devices at the hardware or firmware level. To improve ICS cybersecurity, defensive measures should focus on inspectability, trustworthiness, and diversity.
The sedimentologic and tectonic histories of clastic cap rocks and their inherent mechanical properties control the nature of permeable fractures within them. The migration of fluid through mm- to cm-scale fracture networks can result in focused fluid flow allowing hydrocarbon production from unconventional reservoirs or compromising the seal integrity of fluid traps. To understand the nature and distribution of subsurface fluid-flow pathways through fracture networks in cap-rock seals we examine four exhumed Paleozoic and Mesozoic seal analogs in Utah. We combine these outcrop analyses with subsidence analysis, paleoloading histories, and rock-strength testing data in modified Mohr-Coulomb-Griffith analyses to evaluate the effects of differential stress and rock type on fracture mode. Relative to the underlying sandstone reservoirs, all four seal types are low-permeability, heterolithic sequences that show mineralized hydraulic-extension fractures, extensional-shear fractures, and shear fractures. Burial-history models suggest that the cap-rock seal analogs reached a maximum burial depth >4 km (2.5 mi) and experienced a lithostatic load of up to 110 MPa (15,954 psi). Median tensile strength from indirect mechanical tests ranges from 2.3 MPa (334 psi) in siltstone to 11.5 MPa (1668 psi) in calcareous shale. Analysis of the pore-fluid factor (λv = Pf/σv) through time shows changes in the expected failure mode (extensional shear or hydraulic extension), and that failure mode depends on a combination of mechanical rock properties and differential stress. As expected with increasing lithostatic load, the amount of overpressure that is required to induce failure increases but is also lithology dependent.
Physical unclonable functions (PUFs) make use of the measurable intrinsic randomness of physical systems to establish signatures for those systems. PUFs provide a means to generate unique keys that don't need to be stored in nonvolatile memory, and they offer exciting opportunities for new authentication and supply chain security technologies.
A semiconductor quantum-optical theory is developed and applied to address questions involving thresholdless lasing and increasing single-photon production rate. Excitation dependences of intensity, coherence time, photon autocorrelation function and carrier spectral hole burning are described.
Material testing using the Kolsky bar, or split Hopkinson bar, technique has proven instrumental to conduct measurements of material behavior at strain rates in the order of 103 s-1. Test design and data reduction, however, remain empirical endeavors based on the experimentalist's experience. Issues such as wave propagation across discontinuities, the effect of the deformation of the bar surfaces in contact with the specimen, the effect of geometric features in tensile specimens (dog-bone shape), wave dispersion in the bars and other particulars are generally treated using simplified models. The work presented here was conducted in Q3 and Q4 of FY14. The objective was to demonstrate the feasibility of numerical simulations of Kolsky bar tests, which was done successfully.
As greater numbers of photovoltaic (PV) systems are being installed, operations & maintenance (O&M) activities will need to be performed to ensure the PV system is operating as designed over its useful lifetime. To mitigate risks to PV system availability and performance, standardized procedures for O&M activities are needed to ensure high reliability and long-term system bankability. Efforts are just getting underway to address the need for standard O&M procedures as PV gains a larger share of U.S. generation capacity. Due to the existing landscape of how and where PV is installed, including distributed generation from small and medium PV systems, as well as large, centralized utility-scale PV, O&M activities will require different levels of expertise and reporting, making standards even more important. This report summarizes recent efforts made by solar industry stakeholders to identify the existing standards and best practices applied to solar PV O&M activities, and determine the gaps that have yet to be, or are currently being addressed by industry.
This report documents theoretical calculations of displacement damage produced by gamma rays and neutrons on various materials. The average energy of the gamma rays was 1.24 MeV and 1.0 MeV for the neutrons. The fluence of the gamma rays was 1.2e14 γ/cm2 , for the neutrons it was 1.0e12 n/cm2. The initial materials of interest were Au and Se. The total doses of the gamma ray exposures were in the 100 kRad range for both elements. An equivalent electron fluence was approximated to be the same as the gamma ray fluence over one gamma ray attenuation length in both materials and at the same 1.24 MeV energy. The maximum recoil energy of the Au and Se for these electrons was calculated relativisticaly to be 29 and 72 eV respectively. The relativisitic McKinley and Feshbach theory for the atomic recoil cross sections produced by the electrons were in the 10s of mbarn range and an upper limit for the concentration of Frenkel pairs for the gamma ray exposures for both elements was in the ppb range. The Robinson Energy Partioning Theory for non-ionizing energy loss (NIEL) of ions in solids was used to calculate the concentration of Frenkel pairs produced by the 1 MeV neutrons, and this concentration was also in the ppb range for both Au and Se. Low damage levels like this can have effects on minority carrier recombination in semiconductors, but are not expected to have any effect on metals like Au, or metalloids such as Se.
Through the memorandum of understanding between the Depratment of Energy (DOE), the New Jersey Transit Authority (NJ Transit), and the New Jersey Board of Public Utilities, Sandia National Labs is assisting NJ Transit in developing NJ TransitGrid: an electric microgrid that will include a large-scale gas-fired generation facility and distributed energy resources (photovoltaics [PV], energy storage, electric vehicles, combined heat and power [CHP]) to supply reliable power during storms or other times of significant power failure. The NJ TransitGrid was awarded $410M from the Department of Transportation to develop a first-of-its-kind electric microgrid capable of supplying highly-reliable power.
The Gamma Detector Response and Analysis Software (GADRAS) applies a Detector Response Function (DRF) to compute the output of gamma-ray and neutron detectors when they are exposed to radiation sources. The DRF is fundamental to the ability to perform forward calculations (i.e., computation of the response of a detector to a known source), as well as the ability to analyze spectra to deduce the types and quantities of radioactive material to which the detectors are exposed. This document describes how gamma-ray spectra are computed and the significance of response function parameters that define characteristics of particular detectors.