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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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At least 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

How to Actively Not be a Barrier to Diversity Efforts in Physics

Systemic racism permeates all facets of our society and the recent horrific killings of George Floyd, Breonna Taylor and many others are just one of the many reminders of this. The serious lack of underrepresented minorities (URMs) in physics is proof that our field is no exception to discrimination and racism. In light of the recent events, it is important to confront ourselves about how our own complicity and inaction have perpetuated racism and a culture that allows racist actions to thrive.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Pre-Commercial Scale-Up of a Gas-Fired Absorption Heat Pump

The project sought to advance the maturity of SMTI’s 80 kBTU/hr residential space and water heating GAHP from the engineering prototype stage (TRL-7) to pre-production readiness by addressing manufacturing, balance of system design and installation, cost, reliability, and field application questions. As part of this project, the project team has: (1) Matured the design package for a commercially ready product (2) Demonstrated compliance with relevant ANSI standards (3) Completed manufacturing and assembly process specifications (4) Completed total production cost estimates and capital equipment requirements (5) Initiated component and system level reliability assessments (6) Completed a small field demonstration including measured performance, installation requirements and expected costs, and customer/key stakeholder feedback. (7) Completed a Techno-economic analysis for representative applications and climate zones, including justification for utility incentive programs. (8) Completed a market intelligence report. Scope of Work: A multi-faceted project was completed that included: (a) design for manufacturing tasks for both the sealed system and balance of system, (b) development and trial of key manufacturing processes and techniques, (c) evaluation of component and system level reliability, (d) exploration of make/buy decisions including impact on cost and required capital. Additionally, (e) installation and monitoring of a small number of field test units was completed to demonstrate energy savings and collect customer/installer feedback, and (f) a focused market research task was completed to explore potential barriers and improve market introduction plans. These tasks addressed many of the remaining technical risks regarding long-term reliability, verification of manufacturing cost estimates and identification of cost concerns, identify installation and balance of system design criteria necessary to achieve energy savings and installed cost goals, and identify market barriers and strategies prior to product market introduction.

03 NATURAL GAS↗
DOE OSTI2021

Recommendations for Distributed Energy Resource Access Control

Cybersecurity for internet - connected Distributed Energy Resources (DER) is essential for the safe and reliable operation of the US power system. Many facets of DER cybersecurity are currently being investigated within different standards development organizations, research communities, and industry committees to address this critical need. This report covers DER access control guidance compiled by the Access Controls Subgroup of the SunSpec/Sandia DER Cybersecurity Workgroup. The goal of the group was to create a consensus - based technical framework to minimize the risk of unauthorized access to DER systems. The subgroup set out to define a strict control environment where users are authorized to access DER monitoring and control features through three steps: (a) user is identified using a proof-of-identity, (b) the user is authenticated by a managed database, (c) and the user is authorized for a specific level of access. DER access control also provides accountability and nonrepudiation within the power system control environment that can be used for forensic analysis and attribution in the event of a cyber-attack. This paper covers foundational requirements for a DER access control environment as well as offering a collection of possible policy, model, and mechanism implementation approaches for IEEE 1547-mandated communication protocols.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Elucidating Hydrogen Reaction-Induced Water Desorption from Oxide-Passivated Metal Surfaces for Plasma Applications

Elucidating the mechanisms responsible for sub-microsecond desorption of water and other impurities from electrode surfaces at high heating rates is crucial for understanding pulsed power behavior. Ionization of desorbed impurities in the vacuum regions causes power or current loss; devising methods to limit such desorption during the short time scale of pulsed power is needed to improve corresponding applications. Previous molecular modeling studies have strongly suggested that, under high vacuum conditions, the amount of water impurity desorbing from oxide surfaces on metal electrodes is at a sub-monolayer level at room temperature, which appears insufficient to explain observed pulsed power energy losses at high current densities. In this work, we apply Density Functional Theory (DFT) techniques to show that hydrogen trapped inside iron metal can diffuse into hematite (α-Fe 2 O 3 ) on the metal surface, ultimately reacting with the oxide to form Fe(II) and H 2 O. The latter desorbs at elevated temperature and may explain the anomalous amount of desorbed impurity inferred from pulsed-power experiments. We also apply a suite of characterization techniques to demonstrate that when iron metal is heated to 650 °C, the dominant surface oxide component becomes α-Fe 2 O 3 . The oxide facets exposed are found to be a mixture of (0001), (10-10), and others, in agreement with the DFT models used.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Concurrent Optimization of Capital Cost and Expected O&M

Concentrating solar power (CSP) technologies can utilize heat from concentrated sunlight from a field of tracking mirrors to generate electricity, reform fuel, provide process heat, or augment fossil plant heat sources. Electricity-generating power tower systems focus light from thousands of independent heliostats onto a thermal receiver, which uses the focused light to warm a heat transfer fluid (HTF), typically, a molten nitrate salt. The HTF is then sent to a power generation cycle or diverted into thermal energy storage (TES) for later use. Thermal storage is – in principle – a straightforward proposition. However, optimal utilization of a TES resource is complex and multi-faceted: thermal energy may be dispatched to produce electricity immediately upon first availability, or thermal energy may be reserved for next-day peak periods at risk of filling storage and dumping energy, or a portion of the thermal energy can be reserved to maintain equipment temperatures, reducing power cycle startup time, etc. Many possible dispatch permutations variously emphasize producing peak power, operating through transients, expediting daily startup, etc. The best operation strategy can change day-to-day throughout the year, depending on the weather and market pricing forecasts. The project we describe in this report develops a software package that allows users to explore design optimization, operations decisions, and performance characterization of concentrating solar power tower plants. Users interface with the tool through a scripting language, and results are reported in time series tables, plots, runtime logs, and design outputs. Users choose from a list of variables such as tower height, solar multiple, design-point irradiance, thermal storage size, etc., and specify information about the system using a list of parameters. The software can then optimize the specified variables to reduce the cost of energy produced by the system while meeting certain production requirements, accounting for uncertain weather and electricity price forecasts, and correcting for equipment failures or repair time. The software we develop is the first comprehensive design tool of its kind to incorporate all of these aspects while being deployed as open source.

14 SOLAR ENERGY↗
DOE OSTI2021

It begins - digitizing the Rocky Flats Collection

From 1952 to 1989, the Rocky Flats Plant near Golden, Colorado, manufactured plutonium cores - the nuclear weapon pits that still exist in the nation’s nuclear weapons stockpile. Not only did Rocky Flats personnel produce these plutonium cores, they also documented every facet of this highly technical process. Moreover, Rocky Flats was a premier center for actinide research and development, with these data as relevant today as they were yesterday

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

Demonstration and Validation of Additively Manufactured Intensified Device for Enhanced Carbon Capture

In FY 2018 and 2019, ORNL personnel designed, prototyped, characterized, and tested the enhancement of amine-based carbon capture using additively manufactured intensified devices, i.e., devices combining multiple thermodynamic and kinetic processes into one unit operation. State of the art scrubbing technology often employs inter-stage cooling which requires multiple stages of single-purpose unit operations, leading to larger equipment size, higher capital cost, and sometimes less than optimal operating conditions for each piece of equipment. It was proposed that integrating multiple thermodynamic and kinetic operations into one unit could mitigate or negate these drawbacks. Heat and mass transfer studies demonstrated that an additively manufactured intensified device could significantly improve capture efficiency at bench scale. This project is a continuation of FEAA130 and aims at (1) demonstration and validation of enhanced CO 2 capture with 3D printed intensified devices (i.e., mass exchanger packing with internal cooling channels), for low-aqueous-solvent (LAS) based capture at the ORNL-constructed laboratory-scale (4.5-feet tall) column, namely Column A, with built-in cooling and (2) computational scoping on the conceptual design of a flexible and modular larger column, namely Column B, at ORNL for further demonstration of enhanced capture for aqueous solvent. To execute this multi-faceted project scope, an integrated project team from ORNL’s Manufacturing Science Division is tasked with applying capabilities in computational fluid dynamics (CFD), additive manufacturing, and absorber-scale demonstration/validation experiments.

42 ENGINEERING↗
DOE OSTI2021

Investigating User Experiences with Data Abstractions on High Performance Computing Systems

Scientific exploration generates expanding volumes of data that commonly require High Performance Computing (HPC) systems to facilitate research. HPC systems are complex ecosystems of hardware and software that frequently are not user friendly. The Usable Data Abstractions (UDA) project set out to build usable software for scientific workflows in HPC environments by undertaking multiple rounds of qualitative user research. Qualitative research investigates how individuals accomplish their work and our interview-based study surfaced a variety of insights about the experiences of working in and with HPC ecosystems. This report examines multiple facets to the experiences of scientists and developers using and supporting HPC systems. We discuss how stakeholders grasp the design and configuration of these systems, the impacts of abstraction layers on their ability to successfully do work, and the varied perceptions of time that shape this work. Examining the adoption of the Cori HPC at NERSC we explore the anticipations and lived experiences of users interacting with this system’s novel storage feature, the Burst Buffer. We present lessons learned from across these insights to illustrate just some of the challenges HPC facilities and their stakeholders need to account for when procuring and supporting these essential scientific resources to ensure their usability and utility to a variety of scientific practices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

High-Efficiency, Low-Cost III-V Solar Cells by Dynamic Hydride Vapor Phase Epitaxy Coupled with Rapid, Polishing-Free Wafer Reuse through Orientation-Optimized (110) Spalling

We demonstrated (110) GaAs solar cells grown by D-HVPE with equivalent performance and material quality relative to (100) devices. Also, we developed a procedure for repeatable wafer-scale spalling of (110) GaAs. Spalled surfaces were free of the facets founds in (100) GaAs spalling, the large arrest lines found in (100) Ge spalling, and surface features greater than 3 µm in peak-to-valley height, which can otherwise degrade the efficiency of regrown III-V devices. A sub-µm step-terrace morphology was discovered on the post-spall wafer surface, resulting from the restricted cleavage system of GaAs, but we developed understanding of the factors that determine the resulting morphology, enabling ample opportunity for optimization of morphologies suitable for device growth and spall depth waste minimization on (110) GaAs. Lastly, we demonstrated a device grown on a previously spalled surface with only 8% relative efficiency difference to a cell grown on a new unspalled wafer. Significant optimization of the substrate regrowth conditions are required to enable higher efficiency, but these results highlight the promise of (110)-oriented devices coupled with substrate reuse by spalling as a pathway for low-cost III-V photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2021

Analytic Framework for Optimal Sizing of Hydrogen Fueling Stations for Heavy Duty Vehicles at Ports (CRADA 512)

This CRADA presents the strategy that PNNL and Sandia National Laboratories (SNL) will take to support Seattle City Light (SCL) in properly sizing a hydrogen station for class 8 drayage trucks at the Port of Seattle (Port), as part of a coordinated plan of mixed uses for hydrogen. The proper sizing for the fueling station is unique from past experiences because it will be part of a coordinated plan for a multi-use scheme for the hydrogen, and not a stand-alone fueling station. The multiple use-streams, and their relative values, will impact all facets of station sizing and design, including fueling rates, storage technology and size, equipment selection, and safety considerations. The future deployment of this fueling station, and its proper sizing, is seen as a critical first step in the larger vision of utilizing hydrogen to address a range of issues for SCL and the Port. These include, but are not limited to, large scale fueling of medium duty (MD) and heavy duty (HD) vehicles to reduce emissions, support of adjacent light duty (LD) vehicles, support of critical port operation during extreme events (e.g. resiliency), mitigation of capital intensive electrical distribution system upgrades to support evolving port operations, a market resource that can be used by SCL to generate revenue, and support of planned future maritime operations that currently require heavy use of shipboard hydrogen. While the broader use of hydrogen by SCL and the Port is not the focus of this CRADA, how its use impacts the design of the initial vehicle fueling station, and the modular approach, are the central work. As such, this project will develop the framework and process for developing a modular station design that considers the broader range of coordinate uses of hydrogen as an energy resource.

08 HYDROGEN↗
DOE OSTI2022

Allosteric control of electron transfer in nitrogenase and nitrogenase-like enzymes (Final Report)

More than a third of all known proteins to date are either oxidoreductases or metalloproteins. The diversity of metal cofactors and redox centers in these proteins make them attractive candidates for engineering protein-based biocatalysts, biosensors, and biofuel cells, among other necessary tools for the bioeconomy. Many of these enzymes function as large multi-subunit complexes arranged as symmetric or asymmetric assemblies, and the purpose of this architecture is unclear. The goal of the project was to address this fundamental question by investigating the mechanism of action of two oxidoreductases: Nitrogenase and DPOR (Dark-Operative Protochlorophyllide Oxidoreductase, a nitrogenase-like oxidoreductase). Nitrogenase and DPOR play key roles in nitrogen fixation and photosynthesis, processes essential to sustaining life. Both proteins are arranged as two symmetrical halves with each half capable of substrate reduction. For more than half a century, substrate reduction by nitrogenase has been presumed to occur independently within the two identical halves. Funded by this DOE grant we have now shown that both nitrogenase and DPOR function asymmetrically. Electron transfer in one half suppresses activity in the other. Thus, we have demonstrated that the two halves do not function in an independent manner; rather, catalytic events in one-half allosterically suppress activity and electron transfer (ET) in the other. This alternating-site mechanism has significant implications on our current understanding of substrate reduction by these enzymes and offers a new mechanistic paradigm for the reactions they catalyze. Our work now provides a mechanistic map of the how the two symmetric catalytic halves work together to establish and maintain the sequential-site mechanism through multiple ET cycles to achieve substrate reduction. There is substantive need for bio-inspired tools that enable reduction of nitrogen and other substrates, as well as photosynthesis, for energy and food production. Understanding the workings of enzymes like nitrogenase and DPOR that mediate multi-electron redox chemistry is vital for designing such synthetic tools. The timing of our research coincides with the biotechnological breakthrough of light-driven artificial N2 reduction by nitrogenase, achieved using the native enzyme with both halves arranged in a mirror-like architecture as catalyst. Together with such discoveries, our research now reveal unknown facets of the reaction mechanism and hold promise for designing more effective catalysts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Position Papers for the ASCR Workshop on the Management and Storage of Scientific Data

The purpose of this workshop is to identify priority research directions in the area of data management for high-performance and scientific computing above and beyond HPC’s traditional "the parallel file system is the data-management system" model. Supporting the breadth of the DOE mission, including the explosion of AI uses and the growing needs of experimental and observational science, motivates revisiting our assumptions about data management. There are many facets of this topic to explore including: (1) Interfaces for accessing data that resides on traditional persistent storage as well as memory devices; (2) Storage-system architecture design that supports scientific workflows on varied hierarchical storage and networking devices; (3) Devising metadata management infrastructure to support FAIR principles (Findability, Accessibility, Interoperability, and Reusability); (4) Capturing provenance information about scientific data; (5) Utilizing AI to learn I/O patterns of emerging workloads for efficient data management; (6) Providing data management support for AI and complex workflows; and (7) Understanding the overlap between traditional storage systems and I/O (SSIO) efforts and data management. While the program committee has identified these topics as important areas for discussion, we welcome position papers from the community that propose additional topics of interest for discussion at the workshop. The workshop agenda will include breakout sessions for discussing these and selected topic areas to inform priority research directions for data management for high-performance and scientific computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Microstructural-Level Fuel Performance Modeling of U-Mo Monolithic Fuel

As the physics that governs the microstructural evolution of nuclear fuel span various time and spatial scales, to fully understand the fuel behavior inevitably involves atomic to mesoscale resolution that can be difficult to determine experimentally. Microstructural-level modeling and simulations can be used to develop physics-based materials models that can provide physical understanding to inform fabrication process control, as well as a valuable feedback mechanism between post-irradiation examination (PIE) results and fabrication parameters. In accordance with the program schedule, the primary goals of the microstructure modeling effort are to: 1. Address critical microstructural questions and provide practical guidance to the fabricator via the fuel product specification; 2. Provide mechanistic inputs for the existing fuel performance code to improve its descriptive and predictive capability at the macroscopic scale. In fiscal year (FY)-21, the work scope consisted of six main facets: (1) the effect of carbides on fuel performance; (2) gas diffusivity in different phases; (3) integration of microstructural fuel performance modeling; (4) property degradation; (5) irradiation creep; and (6) historical analysis of microstructure data. Brief summaries of each are included below.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Research software engineering: Professionalization, roles, and identity

This report summarizes the results of a study of research software professionals based on 17 interviews conducted at U.S. national laboratories and academic institutions. The study focuses on understanding the emerging professional role of research software engineer (RSE) and examining how the history of software engineering might be relevant to the emergence of research software engineering as a professional movement. The report first uses interview data to identify several models of professional identity for research software professionals. These include dominance models in which a person strongly identifies with a single professional identity (such as RSE), and multiplicity models in which an individual sees an identity like RSE as just one facet of their overall professional role. Next, it identifies three types of work situations for software professionals at national laboratories, covering those who work in dedicated RSE organizations, those who play an integral role in large multiphysics code projects, and those who work in a more isolated capacity to provide software development support for less computationally intensive research projects. It then reviews some key ideas from the sociology of professions in the context of the software engineering profession, suggesting parallels between the current RSE professional movement and aspects of the history of software engineering. It concludes by suggesting some potential practical implications of these findings for the RSE movement and professional organizations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Report for the ASCR Workshop on the Management and Storage of Scientific Data

The purpose of this workshop is to identify priority research directions in the area of data management for high-performance and scientific computing above and beyond HPC’s traditional "the parallel file system is the data-management system" model. Supporting the breadth of the DOE mission, including the explosion of AI uses and the growing needs of experimental and observational science, motivates revisiting our assumptions about data management. There are many facets of this topic to explore including: (1) Interfaces for accessing data that resides on traditional persistent storage as well as memory devices; (2) Storage-system architecture design that supports scientific workflows on varied hierarchical storage and networking devices; (3) Devising metadata management infrastructure to support FAIR principles (Findability, Accessibility, Interoperability, and Reusability); (4) Capturing provenance information about scientific data; (5) Utilizing AI to learn I/O patterns of emerging workloads for efficient data management; (6) Providing data management support for AI and complex workflows; and (7) Understanding the overlap between traditional storage systems and I/O (SSIO) efforts and data management. While the program committee has identified these topics as important areas for discussion, we welcome position papers from the community that propose additional topics of interest for discussion at the workshop. The workshop agenda will include breakout sessions for discussing these and selected topic areas to inform priority research directions for data management for high-performance and scientific computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

NSRC New Hire Orientation: Resources and What to Expect

Hello, New Hire! Right now, you are likely very excited to begin your position at the Laboratory. We are happy you are here! This document will walk you through different facets of your pre-security clearance interval at the Lab. This is a general guide not firm documentation. Its contents were compiled by National Security Research Center (NSRC) team members to make your transition easier. To begin, you will need a security clearance to do your job. A security clearance is essentially an extremely detailed background check. After you complete and turn in your security paperwork, the clearance process can take as little as three months or as long as one year. You may wonder, “If I can’t do my job until after I receive a clearance, what will I be doing?” There is plenty of unclassified work and professional development to be done. Waiting for a clearance can be trying, but we are here to help. This guide details what to expect during pre-clearance, resources to stay industrious, entry points to Lab networking and culture, and tips for success. Patience, flexibility, and productivity are key. Your workday responsibilities and priorities will vary depending on the self-study, assigned duties, and client-driven projects designated by your manager. This guide is here to help, and so are your NSRC colleagues.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

A Mountaintop View Requires Minimal Sorting: A Faster Contour Tree Algorithm

Consider a scalar field f : M → R, where M is a triangulated simplicial mesh in R d . A level set, or contour, at value v is a connected component of f –1 (v). As v is changed, these contours change topology, merge into each other, or split. Contour trees are concise representations of f that track this contour behavior. The vertices of these trees are the critical points of f, where the gradient is zero. The edges represent changes in the topology of contours. It is a fundamental data structure in data analysis and visualization, and there is significant previous work (both theoretical and practical) on algorithms for constructing contour trees. Suppose M has n vertices, N facets, and t critical points. A classic result of Carr, Snoeyink, and Axen (2000) gives an algorithm that takes O(n log n+Nα(N)) time (where α(·) is the inverse Ackermann function). A further improvement to O(t log t + N) time was given by Chiang et al. All these algorithms involve a global sort of the critical points, a significant computational bottleneck. Unfortunately, lower bounds of Ω(t log t) also exist. We present the first algorithm that can avoid the global sort and has a refined time complexity that depends on the contour tree structure. Intuitively, if the tree is short and fat, we get significant improvements in running time. For a partition of the contour tree into a set of descending paths, P, our algorithm runs in O($\Sigma$ pϵP |p| log |p| + tα(t) + N). This is at most O(t log D + N), where D is the diameter of the contour tree. Moreover, it is O(tα(t) + N) for balanced trees, a significant improvement over the previous complexity. Our algorithm requires numerous ideas: partitioning the contour tree into join and split trees, a local growing procedure to iteratively build contour trees, and the use of heavy path decompositions for the time complexity analysis. There is a crucial use of a family of binomial heaps to maintain priorities, ensuring that any comparison made is between comparable nodes of the contour tree. We also prove lower bounds showing that the $\Sigma$ pϵP |p| log |p| complexity is inherent to computing contour trees.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Integrated Safety Management System Description (PG470252) (V.10)

Personnel at Sandia National Laboratories (hereinafter referred to as Sandia) comply with United States Department of Energy (DOE) Policy 450.4A, Chg 1, Integrated Safety Management Policy, and implement an Integrated Safety Management System (ISMS) to ensure safe operations. Sandia personnel integrate safety into management and work practices at all levels so missions are accomplished while protecting Members of the Workforce, the public, and the environment. As a result, safety is effectively integrated into all facets of work planning and execution. Thus the management of safety functions becomes an integral part of mission accomplishment and meets the requirements outlined in the DOE Acquisition Regulation (DEAR) 970.5223-1, Integration of Environment, Safety, and Health into Work Planning and Execution, clause incorporated by reference into the Prime Contract. The DEAR 970.5223-1, Integration of Environment, Safety, and Health into Work Planning and Execution, clause requires DOE contractors to manage and perform work in accordance with a documented Safety Management System that fulfills conditions of the DEAR clause at a minimum. For purposes of this clause, safety encompasses environment, safety, and health (ES&H), including pollution prevention and waste minimization.

99 GENERAL AND MISCELLANEOUS↗