Publications

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This is a blind modeling study to illustrate the variability expected between PV performance model results. Objectives are to answer: (1) What is the modeling uncertainty; (2) Do certain models do better than others; (3) How can performance modeling be improved; and (4) What are the sources of uncertainty? Some preliminary conclusions are: (1) Large variation seen in model results; (2) Variation not entirely consistent across systems; (3) Uncertainty in assigning derates; (4) Discomfort when components are not included in database - Is there comfort when the components are in the database?; and (5) Residual analysis will help to uncover additional patterns in the models.

PV performance models are used to predict how much energy a PV system will produce at a given location and subject to prescribed weather conditions. These models are commonly used by project developers to choose between module technologies and array designs (e.g., fixed tilt vs. tracking) for a given site or to choose between different geographic locations, and are used by the financial community to establish project viability. Available models can differ significantly in their underlying mathematical formulations and assumptions and in the options available to the analyst for setting up a simulation. Some models lack complete documentation and transparency, which can result in confusion on how to properly set up, run, and document a simulation. Furthermore, the quality and associated uncertainty of the available data upon which these models rely (e.g., irradiance, module parameters, etc.) is often quite variable and frequently undefined. For these reasons, many project developers and other industry users of these simulation tools have expressed concerns related to the confidence they place in PV performance model results. To address this problem, we propose a standardized method for the validation of PV system-level performance models and a set of guidelines for setting up these models and reporting results. This paper describes the basic elements for a standardized model validation process adapted especially for PV performance models, suggests a framework to implement the process, and presents an example of its application to a number of available PV performance models.

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The Trilinos Project started approximately nine years ago as a small effort to enable research, development and ongoing support of small, related solver software efforts. The 'Tri' in Trilinos was intended to indicate the eventual three packages we planned to develop. In 2007 the project expanded its scope to include any package that was an enabling technology for technical computing. Presently the Trilinos repository contains over 55 packages covering a broad spectrum of reusable tools for constructing full-featured scalable scientific and engineering applications. Trilinos usage is now worldwide, and many applications have an explicit dependence on Trilinos for essential capabilities. Users come from other US laboratories, universities, industry and international research groups. Awareness and use of Trilinos is growing rapidly outside of Sandia. Members of the external research community are becoming more familiar with Trilinos, its design and collaborative nature. As a result, the Trilinos project is receiving an increasing number of requests from external community members who want to contribute to Trilinos as developers. To-date we have worked with external developers in an ad hoc fashion. Going forward, we want to develop a set of policies, procedures, tools and infrastructure to simplify interactions with external developers. As we go forward with multi-laboratory efforts such as CASL and X-Stack, and international projects such as IESP, we will need a more streamlined and explicit process for making external developers 'first-class citizens' in the Trilinos development community. This document is intended to frame the discussion for expanding the Trilinos community to all strategically important external members, while at the same time preserving Sandia's primary leadership role in the project.

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Assigning an acceptable level of power reliability in a security system environment requires a methodical approach to design when considering the alternatives tied to the reliability and life of the system. The downtime for a piece of equipment, be it for failure, routine maintenance, replacement, or refurbishment or connection of new equipment is a major factor in determining the reliability of the overall system. In addition to these factors is the condition where the system is static or dynamic in its growth. Most highly reliable security power source systems are supplied by utility power with uninterruptable power source (UPS) and generator backup. The combination of UPS and generator backup with a reliable utility typically provides full compliance to security requirements. In the energy market and from government agencies, there is growing pressure to utilize alternative sources of energy other than fossil fuel to increase the number of local generating systems to reduce dependence on remote generating stations and cut down on carbon effects to the environment. There are also conditions where a security system may be limited on functionality due to lack of utility power in remote locations. One alternative energy source is a renewable energy hybrid system including a photovoltaic or solar system with battery bank and backup generator set. This is a viable source of energy in the residential and commercial markets where energy management schemes can be incorporated and systems are monitored and maintained regularly. But, the reliability of this source could be considered diminished when considering the security system environment where stringent uptime requirements are required.

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In this report we apply discontinuous Galerkin finite element methods to the equations of an incompatibility based formulation of gradient plasticity. The presentation is motivated with a brief overview of the description of dislocations within a crystal lattice. A tensor representing a measure of the incompatibility with the lattice is used in the formulation of a gradient plasticity model. This model is cast in a variational formulation, and discontinuous Galerkin machinery is employed to implement the formulation into a finite element code. Finally numerical examples of the model are shown.

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A thermal model is developed for the response of carbon-epoxy composite laminates in fire environments. The model is based on a porous media description that includes the effects of gas transport within the laminate along with swelling. Model comparisons are conducted against the data from Quintere et al. Simulations are conducted for both coupon level and intermediate scale one-sided heating tests. Comparisons of the heat release rate (HRR) as well as the final products (mass fractions, volume percentages, porosity, etc.) are conducted. Overall, the agreement between available the data and model is excellent considering the simplified approximations to account for flame heat flux. A sensitivity study using a newly developed swelling model shows the importance of accounting for laminate expansion for the prediction of burnout. Excellent agreement is observed between the model and data of the final product composition that includes porosity, mass fractions and volume expansion ratio.

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The U.S. Department of Energy has an interest in large scale hydrogen geostorage, which would offer substantial buffer capacity to meet possible disruptions in supply. Geostorage options being considered are salt caverns, depleted oil/gas reservoirs, aquifers and potentially hard rock cavrns. DOE has an interest in assessing the geological, geomechanical and economic viability for these types of hydrogen storage options. This study has developed an ecocomic analysis methodology to address costs entailed in developing and operating an underground geologic storage facility. This year the tool was updated specifically to (1) a version that is fully arrayed such that all four types of geologic storage options can be assessed at the same time, (2) incorporate specific scenarios illustrating the model's capability, and (3) incorporate more accurate model input assumptions for the wells and storage site modules. Drawing from the knowledge gained in the underground large scale geostorage options for natural gas and petroleum in the U.S. and from the potential to store relatively large volumes of CO{sub 2} in geological formations, the hydrogen storage assessment modeling will continue to build on these strengths while maintaining modeling transparency such that other modeling efforts may draw from this project.

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CAES in geologic media has been proposed to help 'firm' renewable energy sources (wind and solar) by providing a means to store energy when excess energy was available, and to provide an energy source during non-productive renewable energy time periods. Such a storage media may experience hourly (perhaps small) pressure swings. Salt caverns represent the only proven underground storage used for CAES, but not in a mode where renewable energy sources are supported. Reservoirs, both depleted natural gas and aquifers represent other potential underground storage vessels for CAES, however, neither has yet to be demonstrated as a functional/operational storage media for CAES.

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Erbium is known to effectively load with hydrogen when held at high temperature in a hydrogen atmosphere. To make the storage of hydrogen kinetically feasible, a thermal activation step is required. Activation is a routine practice, but very little is known about the physical, chemical, and/or electronic processes that occur during Activation. This work presents in situ characterization of erbium Activation using variable energy photoelectron spectroscopy at various stages of the Activation process. Modification of the passive surface oxide plays a significant role in Activation. The chemical and electronic changes observed from core-level and valence band spectra will be discussed along with corroborating ion scattering spectroscopy measurements.

As semantic graph database technology grows to address components ranging from extant large triple stores to SPARQL endpoints over SQL-structured relational databases, it will become increasingly important to be able to bring high performance computational resources to bear on their analysis, interpretation, and visualization, especially with respect to their innate semantic structure. Our research group built a novel high performance hybrid system comprising computational capability for semantic graph database processing utilizing the large multithreaded architecture of the Cray XMT platform, conventional clusters, and large data stores. In this paper we describe that architecture, and present the results of our deploying that for the analysis of the Billion Triple dataset with respect to its semantic factors, including basic properties, connected components, namespace interaction, and typed paths.

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During preparation for a rocket sled track (RST) event, there was an unexpected ignition of the zuni rocket motor (10/9/08). Three Sandia staff and a contractor were involved in the accident; the contractor was seriously injured and made full recovery. The data recorder battery energized the low energy initiator in the rocket.

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This document outlines the key features of the SNL psychological engine. The engine is designed to be a generic presentation of cognitive entities interacting among themselves and with the external world. The engine combines the most accepted theories of behavioral psychology with those of behavioral economics to produce a unified simulation of human response from stimuli through executed behavior. The engine explicitly recognizes emotive and reasoned contributions to behavior and simulates the dynamics associated with cue processing, learning, and choice selection. Most importantly, the model parameterization can come from available media or survey information, as well subject-matter-expert information. The framework design allows the use of uncertainty quantification and sensitivity analysis to manage confidence in using the analysis results for intervention decisions.

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Preloads are routinely applied to stiffen structural members in many applications. However, the preloaded structural members have been observed to lose a significant portion of the imposed load due to internal relaxation mechanisms during impulsive impact events. This paper describes the design and initial experiments for a novel Hopkinson bar configuration designed to investigate the effect of preloads on the stress wave propagation across interfaces between the incident and transmission bars. Dynamic responses are measured by a variety of sensors, including accelerometers, strain gages, and a laser vibrometer. The transmissibility of a titanium incident bar is measured to establish the baseline frequency response between the input and the test interface. Wave transmission across an titanium-aluminum interface is also examined by analyzing the frequency response function, transmission efficiency, and transmissibility between the incident and transmitted waves. The presence of vacuum grease is shown to strongly influence the dynamic behavior of the system.

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Vapor phase XeF{sub 2} has been used in the fabrication of various types of devices including MEMS, resonators, RF switches, and micro-fluidics, and for wafer level packaging. In this presentation we demonstrate the use of XeF{sub 2} Si etch in conjunction with deep reactive ion etch (DRIE) to release single crystal Si structures on Silicon On Insulator (SOI) wafers. XeF{sub 2} vapor phase etching is conducive to the release of movable SOI structures due to the isotropy of the etch, the high etch selectivity to silicon dioxide (SiO{sub 2}) and fluorocarbon (FC) polymer etch masks, and the ability to undercut large structures at high rates. Also, since XeF{sub 2} etching is a vapor phase process, stiction problems often associated with wet chemical release processes are avoided. Monolithic single crystal Si features were fabricated by etching continuous trenches in the device layer of an SOI wafer using a DRIE process optimized to stop on the buried SiO{sub 2}. The buried SiO{sub 2} was then etched to handle Si using an anisotropic plasma etch process. The sidewalls of the device Si features were then protected with a conformal passivation layer of either FC polymer or SiO{sub 2}. FC polymer was deposited from C4F8 gas precursor in an inductively coupled plasma reactor, and SiO{sub 2} was deposited by plasma enhanced chemical vapor deposition (PECVD). A relatively high ion energy, directional reactive ion etch (RIE) plasma was used to remove the passivation film on surfaces normal to the direction of the ions while leaving the sidewall passivation intact. After the bottom of the trench was cleared to the underlying Si handle wafer, XeF{sub 2} was used to isotropically etch the handle Si, thus undercutting and releasing the features patterned in the device Si layer. The released device Si structures were not etched by the XeF{sub 2} due to protection from the top SiO{sub 2} mask, sidewall passivation, and the buried SiO{sub 2} layer. Optimization of the XeF{sub 2} process and the sidewall passivation layers will be discussed. The advantages of releasing SOI devices with XeF{sub 2} include avoiding stiction, maintaining the integrity of the buried SiO{sub 2}, and simplifying the fabrication flow for thermally actuated devices.

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There is growing evidence of human induced climate change. Various legislation has been introduced to cap carbon emissions. Fossil powered electric generation is responsible for over 30% of the U.S. emissions. Carbon Capture and Sequestration (CCS) technology is water and energy intensive. The project's objectives are: (1) Explore water consumption implications associated with full deployment of a Carbon Capture and Storage (CCS) future; (2) Identify vulnerable areas in which water resources may be too limited to enable full deployment of CCS technology; and (3) Implement project with the cooperation of the National Energy Technology Laboratory (NETL) and DOE Office of Policy and International Affairs. Thermoelectric consumption projected to increase by 3.7 BGD due to CCS by 2035, a doubling over 2004. This increase is equivalent to projected growth in consumption by all other sectors. Demand is not equally distributed across the U.S. 18.5% of this future demand is located in watershed prone to surface and groundwater stress. 30% of current and future demand is located in watersheds prone to drought stress.

In this project, we performed a preliminary set of sintering experiments to examine nanocrystal-enabled diffusion bonding (NEDB) in Ag-on-Ag and Cu-on-Cu using Ag nanoparticles. The experimental test matrix included the effects of material system, temperature, pressure, and particle size. The nanoparticle compacts were bonded between plates using a customized hot press, tested in shear, and examined post mortem using microscopy techniques. NEDB was found to be a feasible mechanism for low-temperature, low-pressure, solid-state bonding of like materials, creating bonded interfaces that were able to support substantial loads. The maximum supported shear strength varied substantially within sample cohorts due to variation in bonded area; however, systematic variation with fabrication conditions was also observed. Mesoscale sintering simulations were performed in order to understand whether sintering models can aid in understanding the NEDB process. A pressure-assisted sintering model was incorporated into the SPPARKS kinetic Monte Carlo sintering code. Results reproduce most of the qualitative behavior observed in experiments, indicating that simulation can augment experiments during the development of the NEDB process. Because NEDB offers a promising route to low-temperature, low-pressure, solid-state bonding, we recommend further research and development with a goal of devising new NEDB bonding processes to support Sandia's customers.

Recent research at Sandia has discovered a new class of organic binary ionic solids with tunable optical, electronic, and photochemical properties. These nanomaterials, consisting of a novel class of organic binary ionic solids, are currently being developed at Sandia for applications in batteries, supercapacitors, and solar energy technologies. They are composed of self-assembled oligomeric arrays of very large anions and large cations, but their crucial internal arrangement is thus far unknown. This report describes (a) the development of a relevant model of nonconvex particles decorated with ions interacting through short-ranged Yukawa potentials, and (b) the results of initial Monte Carlo simulations of the self-assembly binary ionic solids.

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Proton exchange membrane fuel cells are being extensively studied as power sources because of their technological advantages such as high energy efficiency and environmental friendliness. The most effective catalyst in these systems consists of nanoparticles of Pt or Pt-based alloys on carbon supports. Understanding the role of the nanoparticle size and structure on the catalytic activity and degradation is needed to optimize the fuel cell performance and reduce the noble metal loading. One of the more significant causes of fuel cell performance degradation is the cathode catalyst deactivation. There are four mechanisms considered relevant to the loss of electrochemically active surface area of Pt in the fuel cell electrodes that contribute to cathode catalyst degradation including: catalyst particle sintering such as Ostwald ripening, migration and coalescence, carbon corrosion and catalyst dissolution. Most approaches to study this catalyst degradation utilize membrane electrode assemblies (MEAs), which results in a complex system where it is difficult to deconvolute the effects of the metal nanoparticles. Our research addresses catalyst degradation by taking a fundamental approach to study electrocatalyst using model supports. Nanostructured particle arrays are engineered directly onto planar glassy carbon electrodes. These model electrocatalyst structures are applied to electrochemical activity measurements using a rotating disk electrode and surface characterization by scanning electron microscopy. Sample transfer between these measurement techniques enables examination of the same catalyst area before and after electrochemical cycling. This is useful to probe relationships between electrochemical activity and catalyst structure such as particle size and spacing. These model systems are applied to accelerated aging studies of activity degradation. We will present our work demonstrating the mechanistic aspects of catalyst degradation using this simplified geometric system. The active surface area loss observed in repeated cyclic voltammetry is explained through characterization and imaging of the same RDE electrode structures throughout the aging process.

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Cloud computing is a paradigm rapidly being embraced by government and industry as a solution for cost-savings, scalability, and collaboration. While a multitude of applications and services are available commercially for cloud-based solutions, research in this area has yet to fully embrace the full spectrum of potential challenges facing cloud computing. This tutorial aims to provide researchers with a fundamental understanding of cloud computing, with the goals of identifying a broad range of potential research topics, and inspiring a new surge in research to address current issues. We will also discuss real implementations of research-oriented cloud computing systems for both academia and government, including configuration options, hardware issues, challenges, and solutions.

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To extend the backlighting capabilities for Sandia's Z-Accelerator, Z-Petawatt, a laser which can provide laser pulses of 500 fs length and up to 120 J (100TW target area) or up to 450 J (Z/Petawatt target area) has been built over the last years. The main mission of this facility focuses on the generation of high energy X-rays, such as tin K{alpha} at 25 keV in ultra-short bursts. Achieving 25 keV radiographs with decent resolution and contrast required addressing multiple problems such as blocking of hot electrons, minimization of the source, development of suitable filters, and optimization of laser intensity. Due to the violent environment inside of Z, an additional very challenging task is finding massive debris and radiation protection measures without losing the functionality of the backlighting system. We will present the first experiments on 25 keV backlighting including an analysis of image quality and X-ray efficiency.

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The goal of this research was to explore first principles associated with mixing of diverse implementations in a redundant fashion to increase the security and/or reliability of information systems. Inspired by basic results in computer science on the undecidable behavior of programs and by previous work on fault tolerance in hardware and software, we have investigated the problem and solution space for addressing potentially unknown and unknowable vulnerabilities via ensembles of implementations. We have obtained theoretical results on the degree of security and reliability benefits from particular diverse system designs, and mapped promising approaches for generating and measuring diversity. We have also empirically studied some vulnerabilities in common implementations of the Linux operating system and demonstrated the potential for diversity to mitigate these vulnerabilities. Our results provide foundational insights for further research on diversity and redundancy approaches for information systems.

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The new generation of z-pinch, laser, and XFEL facilities opens the possibility to produce astrophysically-relevant laboratory plasmas with energy densities beyond what was previously possible. Furthermore, macroscopic plasmas with uniform conditions can now be created, enabling more accurate determination of the material properties. This presentation will provide an overview of our research at the Z facility investigating stellar interior opacities, AGN warm-absorber photoionized plasmas, and white dwarf photospheres. Atomic physics in plasmas heavily influence these topics. Stellar opacities are an essential ingredient of stellar models and they affect what we know about the structure and evolution of stars. Opacity models have become highly sophisticated, but laboratory tests have not been done at the conditions existing inside stars. Our research is presently focused on measuring Fe at conditions relevant to the base of the solar convection zone, where the electron temperature and density are believed to be 190 eV and 9 x 10{sup 22} e/cc, respectively. The second project is aimed at testing atomic kinetics models for photoionized plasmas. Photoionization is an important process in many astrophysical plasmas and the spectral signatures are routinely used to infer astrophysical object's characteristics. However, the spectral synthesis models at the heart of these interpretations have been the subject of very limited experimental tests. Our current research examines photoionization of neon plasma subjected to radiation flux similar to the warm absorber that surrounds active galactic nuclei. The third project is a recent initiative aimed at producing a white dwarf photosphere in the laboratory. Emergent spectra from the photosphere are used to infer the star's effective temperature and surface gravity. The results depend on knowledge of H, He, and C spectral line profiles under conditions where complex physics such as quasi-molecule formation may be important. These profiles have been studied in past experiments, but puzzles emerging from recent white dwarf analysis have raised questions about the accuracy of the line profile models. Proof-of-principle data has been acquired that indicates radiation-heated quiescent plasmas can be produced with {approx} 1 eV temperature and 10{sup 17}-10{sup 19} e/cc densities, in an {approx} 20cm{sup 3} volume. Such plasmas would provide a valuable platform for investigating numerous line profile questions.