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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2017

High-Performance I/O: HDF5 for Lattice QCD

Practitioners of lattice QCD/QFT have been some of the primary pioneer users of the state-of-the-art high-performance-computing systems, and contribute towards the stress tests of such new machines as soon as they become available. As with all aspects of high-performance-computing, I/O is becoming an increasingly specialized component of these systems. In order to take advantage of the latest available high-performance I/O infrastructure, to ensure reliability and backwards compatibility of data files, and to help unify the data structures used in lattice codes, we have incorporated parallel HDF5 I/O into the SciDAC supported USQCD software stack. Here we present the design and implementation of this I/O framework. Our HDF5 implementation outperforms optimized QIO at the 10-20% level and leaves room for further improvement by utilizing appropriate dataset chunking.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1990

Closed-form solution of decomposable stochastic models

Markov and semi-Markov processes are increasingly being used in the modeling of complex reconfigurable systems (fault tolerant computers). The estimation of the reliability (or some measure of performance) of the system reduces to solving the process for its state probabilities. Such a model may exhibit numerous states and complicated transition distributions, contributing to an expensive and numerically delicate solution procedure. Thus, when a system exhibits a decomposition property, either structurally (autonomous subsystems), or behaviorally (component failure versus reconfiguration), it is desirable to exploit this decomposition in the reliability calculation. In interesting cases there can be failure states which arise from non-failure states of the subsystems. Equations are presented which allow the computation of failure probabilities of the total (combined) model without requiring a complete solution of the combined model. This material is presented within the context of closed-form functional representation of probabilities as utilized in the Symbolic Hierarchical Automated Reliability and Performance Evaluator (SHARPE) tool. The techniques adopted enable one to compute such probability functions for a much wider class of systems at a reduced computational cost. Several examples show how the method is used, especially in enhancing the versatility of the SHARPE tool.

Sjogren, Jon A.↗

NASA NTRS1976

Actively cooled airframe structures for high-speed flight

An assessment of forced convectively cooled aircraft structures is presented based on recent and on-going studies. Particular emphasis is given to contractual efforts in which large panels of three different concepts are being designed and fabricated for cyclic thermal-structural tests at the Langley Research Center. Results of ambient temperature fatigue tests of small specimens of these concepts are reviewed. Aspects of conceptual and detail designs, material selection, fabrication, reliability, and heat-load/hydrogen fuel heat-sink matching are discussed. Results to date indicate that active cooling significantly impacts the structural design process, and, despite the use of conventional aluminum materials, advanced complex fabrication processes are required.

Nowak, R. J.↗

DOE OSTI2020

Viscoelastic Material Characterization and Modeling of Photovoltaic Module Packaging Materials for Direct Finite-Element Method Input

Numerical tools, such as the finite-element method, are increasingly used to design and evaluate the photovoltaic (PV) modules, providing for the reduction of development time and improved performance and reliability. However, high-fidelity material models are necessary to accurately model the complex structural behavior of the involved packaging materials. A common simplification used in recent years is to model the polymer materials (i.e., encapsulant and backsheet) as linear elastic, which will lead to inaccurate results. Therefore, in this work, we present a thorough characterization of the time- and temperature-dependent mechanical response of predominant PV module encapsulant and backsheet materials. Based on this material characterization, we developed and experimentally validated generalized Maxwell models to describe each material's viscoelastic response. In addition, we included measurements of the coefficient of thermal expansion and presented all material models in such a fashion for direct input into commercial finite-element method modeling software.

FEM↗

DOE OSTI2013

ModBase, a database of annotated comparative protein structure models and associated resources

ModBase (http://salilab.org/modbase) is a database of annotated comparative protein structure models. The models are calculated by ModPipe, an automated modeling pipeline that relies primarily on Modeller for fold assignment, sequence-structure alignment, model building and model assessment (http://salilab.org/modeller/). ModBase currently contains almost 30 million reliable models for domains in 4.7 million unique protein sequences. ModBase allows users to compute or update comparative models on demand, through an interface to the ModWeb modeling server (http://salilab.org/ modweb). ModBase models are also available through the Protein Model Portal (http://www.prote inmodelportal.org/). Recently developed associated resources include the AllosMod server for modeling ligand-induced protein dynamics (http://salilab.org/ allosmod), the AllosMod-FoXS server for predicting a structural ensemble that fits an SAXS profile (http://salilab.org/allosmod-foxs), the FoXSDock server for protein–protein docking filtered by an SAXS profile (http://salilab.org/foxsdock), the SAXS Merge server for automatic merging of SAXS profiles (http://salilab.org/saxsmerge) and the Pose & Rank server for scoring protein–ligand complexes (http://salilab.org/poseandrank). In this update, we also highlight two applications of ModBase: a PSI:Biology initiative to maximize the structural coverage of the human alpha-helical transmembrane proteome and a determination of structural determinants of human immunodeficiency virus-1 protease specificity.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1992

Energetics and structural properties of twist grain boundaries in Cu

Structural and energetics properties of atoms near a grain boundary are of great importance from theoretical and experimental standpoints. From various experimental work it is concluded that diffusion at low temperatures at polycrystalline materials take place near grain boundary. Experimental and theoretical results also indicate changes of up to 70 percent in physical properties near a grain boundary. The Embedded Atom Method (EAM) calculations on structural properties of Au twist grain boundaries are in quite good agreement with their experimental counterparts. The EAM is believed to predict reliable values for the single vacancy formation energy as well as migration energy. However, it is not clear whether the EAM functions which are fitted to the bulk properties of a perfect crystalline solid can produce reliable results on grain boundaries. One of the objectives of this work is to construct the EAM functions for Cu and use them in conjunction with the molecular static simulation to study structures and energetics of atoms near twist grain boundaries in Cu. This provides tests of the EAM functions near a grain boundary. In particular, we determine structure, single vacancy formation energy, migration energy, single vacancy activation energy, and interlayer spacing as a function of distance from grain boundary. Our results are compared with the available experimental and theoretical results from grain boundaries and bulk.

Karimi, Majid↗

DOE OSTI2012

Computational analysis of pathogen-borne metallo β-lactamases reveals discriminating structural features between B1 types

Background: Genes conferring antibiotic resistance to groups of bacterial pathogens are cause for considerable concern, as many once-reliable antibiotics continue to see a reduction in efficacy. The recent discovery of the metallo b-lactamase blaNDM-1 gene, which appears to grant antibiotic resistance to a variety of Enterobacteriaceae via a mobile plasmid, is one example of this distressing trend. The following work describes a computational analysis of pathogen-borne MBLs that focuses on the structural aspects of characterized proteins. Results: Using both sequence and structural analyses, we examine residues and structural features specific to various pathogen-borne MBL types. This analysis identifies a linker region within MBL-like folds that may act as a discriminating structural feature between these proteins, and specifically resistance-associated acquirable MBLs. Recently released crystal structures of the newly emerged NDM-1 protein were aligned against related MBL structures using a variety of global and local structural alignment methods, and the overall fold conformation is examined for structural conservation. Conservation appears to be present in most areas of the protein, yet is strikingly absent within a linker region, making NDM-1 unique with respect to a linker-based classification scheme. Variability analysis of the NDM-1 crystal structure highlights unique residues in key regions as well as identifying several characteristics shared with other transferable MBLs. Conclusions: A discriminating linker region identified in MBL proteins is highlighted and examined in the context of NDM-1 and primarily three other MBL types: IMP-1, VIM-2 and ccrA. The presence of an unusual linker region variant and uncommon amino acid composition at specific structurally important sites may help to explain the unusually broad kinetic profile of NDM-1 and may aid in directing research attention to areas of this protein, and possibly other MBLs, that may be targeted for inactivation or attenuation of enzymatic activity.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1979

An assessment of methods for the control of large space structures

Large flexible spacecraft represent highly complex distributed-parameter systems. In theory, a distributed-parameter system possesses an infinite number of degrees of freedom. For practical reasons, however, it must be discretized, which implies truncation. From a structural dynamics point of view, a mathematical model can be made more accurate by retaining an increasing number of degrees of freedom. From a control theory point of view, however, an increasing number of degrees of freedom places severe demands on the reliability of the various control algorithms. There is a difference of at least one order of magnitude between the structural modeling requirements and control theory capability. One of the challenges of large space structures control technology is to bridge this difference.

Meirovitch, L.↗

NASA NTRS2013

Parts Quality Management: Direct Part Marking via Data Matrix Symbols for Mission Assurance

A United States Government Accountability Office (GAO) review of twelve NASA programs found widespread parts quality problems contributing to significant cost overruns, schedule delays, and reduced system reliability. Direct part-marking with Data Matrix symbols could significantly improve the quality of inventory control and parts lifecycle management. This paper examines the feasibility of using 15 marking technologies for use in future NASA programs. A structural analysis is based on marked material type, operational environment (e.g., ground, suborbital, orbital), durability of marks, ease of operation, reliability, and affordability. A cost-benefits analysis considers marking technology (data plates, label printing, direct part marking) and marking types (two-dimensional machine-readable, human-readable). Previous NASA parts marking efforts and historical cost data are accounted for, including in-house vs. outsourced marking. Some marking methods are still under development. While this paper focuses on NASA programs, results may be applicable to a variety of industrial environments.

Moss, Chantrice↗

NASA NTRS2012

Probabilistic Simulation of Multi-Scale Composite Behavior

A methodology is developed to computationally assess the non-deterministic composite response at all composite scales (from micro to structural) due to the uncertainties in the constituent (fiber and matrix) properties, in the fabrication process and in structural variables (primitive variables). The methodology is computationally efficient for simulating the probability distributions of composite behavior, such as material properties, laminate and structural responses. Bi-products of the methodology are probabilistic sensitivities of the composite primitive variables. The methodology has been implemented into the computer codes PICAN (Probabilistic Integrated Composite ANalyzer) and IPACS (Integrated Probabilistic Assessment of Composite Structures). The accuracy and efficiency of this methodology are demonstrated by simulating the uncertainties in composite typical laminates and comparing the results with the Monte Carlo simulation method. Available experimental data of composite laminate behavior at all scales fall within the scatters predicted by PICAN. Multi-scaling is extended to simulate probabilistic thermo-mechanical fatigue and to simulate the probabilistic design of a composite redome in order to illustrate its versatility. Results show that probabilistic fatigue can be simulated for different temperature amplitudes and for different cyclic stress magnitudes. Results also show that laminate configurations can be selected to increase the redome reliability by several orders of magnitude without increasing the laminate thickness--a unique feature of structural composites. The old reference denotes that nothing fundamental has been done since that time.

Chamis, Christos C.↗

DOE OSTI2017

Defining Threshold Values of Encapsulant and Backsheet Adhesion for PV Module Reliability

The width-tapered cantilever beam method is used to quantify the debond energy (adhesion) of encapsulant and backsheet structures of 32 modules collected from the field. The collected population of modules contains both those that have remained intact and those with instances of either or both encapsulant and backsheet delamination. From this survey, initial threshold values (an adhesion value above which a module should remain intact throughout its lifetime) for encapsulant and backsheet interfaces are proposed. For encapsulants this value is ~ 160J/m 2 and for backsheets ~ 10J/m 2 . Here, it is expected that these values will continue to be refined and evolve as the width-tapered cantilever beam method gets adopted by the PV industry, and that they may aid in the future improvement of accelerated lifetime tests and the development of new, low-cost materials.

14 SOLAR ENERGY↗

DOE OSTI2025

Development of a reliable Potting process for Photoconductive Semiconductor Switches (PCSS)

Electrical potting is an important process to protect semiconductor devices from damaging external elements (mechanical stress, moisture, high voltage, etc.) and provides structural support for delicate devices for electrical connectivity to a larger platform. This internship will focus on the development of a universal potting jig for photoconductive semiconductor switches (PCSS). The goal is to design a reliable compression jig that is cross compatible with various PCSS designs that allow for easy potting of devices with a high dielectric breakdown strength material. The challenge with the current potting jig is that the design is only compatible with one style of PCSS and applies uneven pressure that can lead to leakage of potting material. Our approach is to move from a design that applies pressure by binder clip to utilizing a micrometer based compressing jig for a reliable packaging process that can pot a variety of devices without having to have a unique compressing jig for each of style of PCSS. Possible roadblocks with the new design include epoxy leakage into the optical path and misalignment of the electrode – metal contact bond.

42 ENGINEERING↗

NASA NTRS1990

Shape optimization and CAD

Structural optimization has attracted the attention since the days of Galileo. Olhoff and Taylor have produced an excellent overview of the classical research within this field. However, the interest in structural optimization has increased greatly during the last decade due to the advent of reliable general numerical analysis methods and the computer power necessary to use them efficiently. This has created the possibility of developing general numerical systems for shape optimization. Several authors, eg., Esping; Braibant & Fleury; Bennet & Botkin; Botkin, Yang, and Bennet; and Stanton have published practical and successful applications of general optimization systems. Ding and Homlein have produced extensive overviews of available systems. Furthermore, a number of commercial optimization systems based on well-established finite element codes have been introduced. Systems like ANSYS, IDEAS, OASIS, and NISAOPT are widely known examples. In parallel to this development, the technology of computer aided design (CAD) has gained a large influence on the design process of mechanical engineering. The CAD technology has already lived through a rapid development driven by the drastically growing capabilities of digital computers. However, the systems of today are still considered as being only the first generation of a long row of computer integrated manufacturing (CIM) systems. These systems to come will offer an integrated environment for design, analysis, and fabrication of products of almost any character. Thus, the CAD system could be regarded as simply a database for geometrical information equipped with a number of tools with the purpose of helping the user in the design process. Among these tools are facilities for structural analysis and optimization as well as present standard CAD features like drawing, modeling, and visualization tools. The state of the art of structural optimization is that a large amount of mathematical and mechanical techniques are available for the solution of single problems. By implementing collections of the available techniques into general software systems, operational environments for structural optimization have been created. The forthcoming years must bring solutions to the problem of integrating such systems into more general design environments. The result of this work should be CAD systems for rational design in which structural optimization is one important design tool among many others.

Rasmussen, John↗

DOE OSTI2016

Revenue Sufficiency and Reliability in a Zero Marginal Cost Future: Preprint

Features of existing wholesale electricity markets, such as administrative pricing rules and policy-based reliability standards, can distort market incentives from allowing generators sufficient opportunities to recover both fixed and variable costs. Moreover, these challenges can be amplified by other factors, including (1) inelastic demand resulting from a lack of price signal clarity, (2) low- or near-zero marginal cost generation, particularly arising from low natural gas fuel prices and variable generation (VG), such as wind and solar, and (3) the variability and uncertainty of this VG. As power systems begin to incorporate higher shares of VG, many questions arise about the suitability of the existing marginal-cost-based price formation, primarily within an energy-only market structure, to ensure the economic viability of resources that might be needed to provide system reliability. This article discusses these questions and provides a summary of completed and ongoing modelling-based work at the National Renewable Energy Laboratory to better understand the impacts of evolving power systems on reliability and revenue sufficiency.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2017

Revenue Sufficiency and Reliability in a Zero Marginal Cost Future

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2017

Techniques for Achieving High Reliability Operation of the Spallation Neutron Source High Power Radio-Frequency System

The Spallation Neutron Source (SNS) high power radiofrequency (HPRF) system operates with high reliability to support the goals of the SNS user program. In recent operational periods the availability of the HPRF system has exceeded 97 percent while the neutron source availability overall is typically greater than 90 percent. SNS has a unique set of 92 HPRF stations that operate at either 402.5 MHz or 805 MHz with peak output power ranging from 550 kW to 5 MW and average power ranging from 49.5 kW to 450 kW. The HPRF transmitters consist of chassis-mounted power supplies, solid-state amplifiers and other equipment that support the operation of the klystrons that ultimately provide the RF power to the accelerating structures. Management of the operation and maintenance of the HPRF system has increasingly focused on reliability and sustainability in recent years. Techniques for klystron lifetime preservation and optimization of transmitter reliability have been developed and will be described.

Moss, John↗

DOE OSTI2024

Recent Progress in the Electroweak Structure of Light Nuclei Using Quantum Monte Carlo Methods

Nuclei will play a prominent role in searches for physics beyond the Standard Model as the active material in experiments. In order to reliably interpret new physics signals, one needs an accurate model of the underlying nuclear dynamics. In this review, we discuss recent progress made with quantum Monte Carlo approaches for calculating the electroweak structure of light nuclei. We place particular emphasis on recent β decay, muon capture, neutrinoless double β decay, and electron scattering results.

Physics↗

DOE OSTI2023

Structural analysis of molten materials by a remote fiber optic Raman sensor

This study presents a novel in situ high-temperature fiber optic Raman probe that enables the study of the physical properties and structure of molten samples at temperatures up to 1400 °C. To demonstrate the functionality of the high-temperature fiber optic Raman probe, different composition mold fluxes were evaluated in this report. The Raman spectra at flux molten temperature were successfully collected and analyzed. A deconvolution algorithm was employed to identify peaks in the spectra associated with the molecular structure of the components in each sample. Here, the experimental results demonstrate that the composition-dependent Raman signal shift can be detected at high temperatures, indicating that molten materials analysis using a high-temperature Raman system shows significant promise. This flexible and reliable high-temperature Raman measurement method has great potential for various applications, such as materials development, composition and structure monitoring during high-temperature processing, chemical identification, and process monitoring in industrial production.

47 OTHER INSTRUMENTATION↗