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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 OSTI2021

PACT Data Management Plan (V.1.0)

The Perovskite PV Accelerator for Commercial Technology (PACT) is an independent validation center for the evaluation of perovskite PV technologies and their bankability. The center is led by Sandia National Laboratories and the National Renewable Energy Laboratory (NREL) and includes as part of its team Los Alamos National Laboratory (LANL), CFV Labs, Black and Veatch (B&V), and the Electric Power Research Institute (EPRI). The goals of the center are to: Develop and improve indoor and outdoor performance characterization methods, Develop and validate accelerated qualification testing for early failures (5-10 years), Research degradation and failure modes, Validate outdoor performance, and Provide bankability services to US perovskite PV (PSC) industry. The importance of data and data management to the success and outcomes of the PACT center is paramount. This report describes how data will be managed and protected by PACT and identifies important data management principles that will guide our approach.

14 SOLAR ENERGY↗

DOE OSTI2020

FY20 Proxy App Suite Release: Report for ECP Proxy App Project Milestone ADCD-504-10

Version 4.0 of the ECP Proxy App Suite is practically unchanged from the previous release. The current set of proxies has proven useful for many aspects of benchmarking and co-design and we see little reason to alter the suite. Although there have been few changes to the ECP suite, the team has been hard at work in other areas. In the area of Machine Learning (ML) we have now created a separate proxy suite dedicated to this scientific applications of ML. The suite includes: miniGAN (Generative Adversarial Networks), miniRL (Reinforcement Learning), CRADL (inline inference), Cosmoflow-Benchmark (Convolutional Neural Network), and MLPerf-DeepCam (Climate Segmentation Benchmark). Section 3 contains more information about these proxies as well as the principles that are guiding the development of the suite. We have surveyed available proxies for several application domains including Computational Fluid Dynamics, Quantum Chemistry, Quantum Computing Simulation, Molecular Dynamics, Monte Carlo Transport, and Density Functional Theory to identify gaps in proxy coverage. Several new proxy apps are either already available or will be released soon to fill these gaps. Section 4 provides full details. Finally, section 5 reports on our continued collaboration with the ECP Continuous Integration (CI) effort to use proxy apps to help identify problems and roadblocks to cross-lab CI. We have also assisted the El Capitan Center of Excellence (COE) to stand up a CI system that will be used to test releases of HPE and AMD software stacks. We hope that the COE effort can serve as a model for ECP by showing how the Proxy App Team can work with AD and ST teams identify critical features, kernels, patterns, etc. and incorporate them into a CI system that will help ensure that Frontier and Aurora will provide those needed capabilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

A Generic Primary-Control Model for Grid-Forming Inverters: Towards Interoperable Operation & Control

This paper outlines an architectural vision centered around the notion of interoperability to integrate grid-forming inverter-based resources in large-scale grids. With the underlying principle of interoperability guiding developments, we focus on modeling the characteristics of droop, virtual synchronous machine, and virtual oscillator controls. Emphasis is placed on these three controllers since they are leading grid-forming control candidates and are likely to be commonplace as primary-control schemes in future systems. We show that these controllers can each be considered as instantiations of a more generic model and that all these controllers exhibit similar droop-like relations between pertinent terminal variables in steady state. This commonality between controllers gives interoperability among them such that automatic synchronization, power sharing, and voltage regulation can be achieved. Simulation results validate the models and demonstrate how the steady-state droop characteristics of these control methods can be aligned with the aid of the developed modeling paradigm.

control↗

DOE OSTI2021

A Unified User-Friendly Instrument Control and Data Acquisition System for the ORNL SANS Instrument Suite

In an effort to upgrade and provide a unified and improved instrument control and data acquisition system for the Oak Ridge National Laboratory (ORNL) small-angle neutron scattering (SANS) instrument suite—biological small-angle neutron scattering instrument (Bio-SANS), the extended q-range small-angle neutron scattering diffractometer (EQ-SANS), the general-purpose small-angle neutron scattering diffractometer (GP-SANS)—beamline scientists and developers teamed up and worked closely together to design and develop a new system. We began with an in-depth analysis of user needs and requirements, covering all perspectives of control and data acquisition based on previous usage data and user feedback. Our design and implementation were guided by the principles from the latest user experience and design research and based on effective practices from our previous projects. In this article, we share details of our design process as well as prominent features of the new instrument control and data acquisition system. The new system provides a sophisticated Q-Range Planner to help scientists and users plan and execute instrument configurations easily and efficiently. The system also provides different user operation interfaces, such as wizard-type tool Panel Scan, a Scripting Tool based on Python Language, and Table Scan, all of which are tailored to different user needs. The new system further captures all the metadata to enable post-experiment data reduction and possibly automatic reduction and provides users with enhanced live displays and additional feedback at the run time. We hope our results will serve as a good example for developing a user-friendly instrument control and data acquisition system at large user facilities.

47 OTHER INSTRUMENTATION↗

NASA NTRS1994

A software architecture for automating operations processes

The Operations Engineering Lab (OEL) at JPL has developed a software architecture based on an integrated toolkit approach for simplifying and automating mission operations tasks. The toolkit approach is based on building adaptable, reusable graphical tools that are integrated through a combination of libraries, scripts, and system-level user interface shells. The graphical interface shells are designed to integrate and visually guide a user through the complex steps in an operations process. They provide a user with an integrated system-level picture of an overall process, defining the required inputs and possible output through interactive on-screen graphics. The OEL has developed the software for building these process-oriented graphical user interface (GUI) shells. The OEL Shell development system (OEL Shell) is an extension of JPL's Widget Creation Library (WCL). The OEL Shell system can be used to easily build user interfaces for running complex processes, applications with extensive command-line interfaces, and tool-integration tasks. The interface shells display a logical process flow using arrows and box graphics. They also allow a user to select which output products are desired and which input sources are needed, eliminating the need to know which program and its associated command-line parameters must be executed in each case. The shells have also proved valuable for use as operations training tools because of the OEL Shell hypertext help environment. The OEL toolkit approach is guided by several principles, including the use of ASCII text file interfaces with a multimission format, Perl scripts for mission-specific adaptation code, and programs that include a simple command-line interface for batch mode processing. Projects can adapt the interface shells by simple changes to the resources configuration file. This approach has allowed the development of sophisticated, automated software systems that are easy, cheap, and fast to build. This paper will discuss our toolkit approach and the OEL Shell interface builder in the context of a real operations process example. The paper will discuss the design and implementation of a Ulysses toolkit for generating the mission sequence of events. The Sequence of Events Generation (SEG) system provides an adaptable multimission toolkit for producing a time-ordered listing and timeline display of spacecraft commands, state changes, and required ground activities.

Miller, Kevin J.↗

NASA NTRS1995

File-access characteristics of parallel scientific workloads

Phenomenal improvements in the computational performance of multiprocessors have not been matched by comparable gains in I/O system performance. This imbalance has resulted in I/O becoming a significant bottleneck for many scientific applications. One key to overcoming this bottleneck is improving the performance of parallel file systems. The design of a high-performance parallel file system requires a comprehensive understanding of the expected workload. Unfortunately, until recently, no general workload studies of parallel file systems have been conducted. The goal of the CHARISMA project was to remedy this problem by characterizing the behavior of several production workloads, on different machines, at the level of individual reads and writes. The first set of results from the CHARISMA project describe the workloads observed on an Intel iPSC/860 and a Thinking Machines CM-5. This paper is intended to compare and contrast these two workloads for an understanding of their essential similarities and differences, isolating common trends and platform-dependent variances. Using this comparison, we are able to gain more insight into the general principles that should guide parallel file-system design.

Nieuwejaar, Nils↗

NASA NTRS1998

Electrical Grounding Architecture for Unmanned Spacecraft

This handbook is approved for use by NASA Headquarters and all NASA Centers and is intended to provide a common framework for consistent practices across NASA programs. This handbook was developed to describe electrical grounding design architecture options for unmanned spacecraft. This handbook is written for spacecraft system engineers, power engineers, and electromagnetic compatibility (EMC) engineers. Spacecraft grounding architecture is a system-level decision which must be established at the earliest point in spacecraft design. All other grounding design must be coordinated with and be consistent with the system-level architecture. This handbook assumes that there is no one single 'correct' design for spacecraft grounding architecture. There have been many successful satellite and spacecraft programs from NASA, using a variety of grounding architectures with different levels of complexity. However, some design principles learned over the years apply to all types of spacecraft development. This handbook summarizes those principles to help guide spacecraft grounding architecture design for NASA and others.

Source record↗

NASA NTRS2004

Satellite Instrument Calibration for Measuring Global Climate Change. Report of a Workshop at the University of Maryland Inn and Conference Center, College Park, MD. , November 12-14, 2002

Measuring the small changes associated with long-term global climate change from space is a daunting task. To address these problems and recommend directions for improvements in satellite instrument calibration some 75 scientists, including researchers who develop and analyze long-term data sets from satellites, experts in the field of satellite instrument calibration, and physicists working on state of the art calibration sources and standards met November 12 - 14, 2002 and discussed the issues. The workshop defined the absolute accuracies and long-term stabilities of global climate data sets that are needed to detect expected trends, translated these data set accuracies and stabilities to required satellite instrument accuracies and stabilities, and evaluated the ability of current observing systems to meet these requirements. The workshop's recommendations include a set of basic axioms or overarching principles that must guide high quality climate observations in general, and a roadmap for improving satellite instrument characterization, calibration, inter-calibration, and associated activities to meet the challenge of measuring global climate change. It is also recommended that a follow-up workshop be conducted to discuss implementation of the roadmap developed at this workshop.

NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY (NI↗

DOE OSTI2023

Exploring the Potential of Factory Installed Solar + Storage for Homebuilding

In recent years, an increasing number of grid disruptions due to intense weather events, natural disasters, and high peak loads resulted in increased interest in energy-resilient homes. Solar + storage (S+S) as an energy resiliency solution can provide continuity, onsite generation, and backup power during critical events. This project explored factory-installed solar plus storage (FISS) to overcome first cost and installation barriers and bring this resiliency solution to scale for single-family affordable and market-rate homebuyers. Guided by the principles of Lean manufacturing, the team explored how factories building high-performance zero energy modular homes can incorporate S+S into their existing construction system while improving quality and productivity and reducing the costs of the resilient energy system.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION,↗

DOE OSTI2024

Situated Visualization of Photovoltaic Module Performance for Workforce Development: Preprint

The rapid growth of the solar energy industry requires advanced educational tools to train the next generation of engineers and technicians. We present a novel system for situated visualization of photovoltaic (PV) module performance, leveraging a combination of PV simulation, sun-sky position, and head-mounted augmented reality (AR). Our system is guided by four principles of development: simplicity, adaptability, collaboration, and maintainability, realized in six components. Users interactively manipulate a physical module's orientation and shading referents with immediate feedback on the module's performance.

augmented reality↗

DOE OSTI2024

Situated Visualization of Photovoltaic Module Performance for Workforce Development

augmented reality↗

NASA NTRS2000

Detection of Extraterrestrial Ecology (Exoecology)

Researchers in the Astrobiology Technology Branch at Ames Research Center have begun investigating alternate concepts for the detection of extraterrestrial life. We suggest searching for extraterrestrial ecology, exoecology, as well as for extraterrestrial biology, exobiology. Ecology describes the interactions of living things with their environment. All ecosystems are highly constrained by their environment and are constrained by well-known system design principles. Ecology could exist wherever there is an energy source and living I things have discovered some means to capture, store, and use the available energy. Terrestrial ecosystems use as energy sources, light, organic molecules, and in thermal vents and elsewhere, simple inorganic molecules. Ecosystem behavior is controlled by matter and energy conservation laws and can be described by linear and nonlinear dynamic systems theory. Typically in an ecosystem different molecules are not in chemical equilibrium and scarce material is conserved, stored, or recycled. Temporal cycles and spatial variations are often observed. These and other -eneral principles of exoecology can help guide the search for extraterrestrial life. The chemical structure observed in terrestrial biology may be highly contingent on evolutionary accidents. Oxygen was not always abundant on Earth. Primitive sulfur bacteria use hydrogen sulfide and sulfur to perform photosynthesis instead of water and oxygen. Astrobiologists have assumed, for the sake of narrowing and focusing our life detection strategies, that extraterrestrial life will have detailed chemical similarities with terrestrial life. Such assumptions appear very reasonable and they allow us to design specific and highly sensitive life detection experiments. But the fewer assumptions we make, the less chance we have of being entirely wrong The best strategy for the detection of extraterrestrial life could be a mixed strategy. We should use detailed assumptions based on terrestrial biology to guide some but not all future searches for alien life. The systems principles of exoecology seem much more fundamental and inescapable than the terrestrial biology analogies of exobiology. We should search for exoecology as well as exobiology.

Jones, Harry↗

DOE OSTI2026

Cyber-Informed Engineering for Strategic Planning

The CIE Guide for Engaging Organizational Leadership: Board and C-Suite describes how to apply CIE at the senior-level of organizational management. This guidance integrates CIE concepts into theory and practice of guiding coalition leadership to improve permeation of CIE concepts throughout organizational culture. This guide incorporates feedback from CIE community of practice volunteers in a study of how business administrative and strategic planning and management guidance and course materials can be applied to CIE implementation throughout an organization's principles and processes. This guide defines the interests guiding senior leadership, managers and supervisors, and technicians and workers involved in creating and operating and maintaining systems, and cultural/ historical/ political assumptions or influences shaped the landscape that could facilitate or impede development of CIE. The included guidance for organizational strategic management and leadership can be imbedded into contract guidance based on the CIE implementation guide and lessons learned from industry application.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Making digital objects FAIR in high energy physics: An implementation for Universal FeynRules Output (UFO) models

Research in the data-intensive discipline of high energy physics (HEP) often relies on domain-specific digital contents. Reproducibility of research relies on proper preservation of these digital objects. This paper reflects on the interpretation of principles of Findability, Accessibility, Interoperability, and Reusability (FAIR) in such context and demonstrates its implementation by describing the development of an end-to-end support infrastructure for preserving and accessing Universal FeynRules Output (UFO) models guided by the FAIR principles. UFO models are custom-made python libraries used by the HEP community for Monte Carlo simulation of collider physics events. Our framework provides simple but robust tools to preserve and access the UFO models and corresponding metadata in accordance with the FAIR principles.

Neubauer, Mark S.↗

DOE OSTI2023

Codebase release 2.0 for UFOManager

Neubauer, Mark S.↗

NASA NTRS1990

ICE System: Interruptible control expert system

The Interruptible Control Expert (ICE) System is based on an architecture designed to provide a strong foundation for real-time production rule expert systems. Three principles are adopted to guide the development of ICE. A practical delivery platform must be provided, no specialized hardware can be used to solve deficiencies in the software design. Knowledge of the environment and the rule-base is exploited to improve the performance of a delivered system. The third principle of ICE is to respond to the most critical event, at the expense of the more trivial tasks. Minimal time is spent on classifying the potential importance of environmental events with the majority of the time used for finding the responses. A feature of the system, derived from all three principles, is the lack of working memory. By using a priori information, a fixed amount of memory can be specified for the hardware platform. The absence of working memory removes the dangers of garbage collection during the continuous operation of the controller.

Vezina, James M.↗

DOE OSTI2024

Machine Learning-Guided Exploration of Ternary Metal Borohydrides

We employ deep machine learning (ML) combined with first-principles calculations to explore energetically favorable ternary metal borohydrides. Using La–B–H as a prototype system, we demonstrate that iteratively trained ML models can efficiently screen hundreds of thousands of hypothetical structures and accurately select a small fraction of promising structures and compositions for further studies by first-principles calculations. Such an ML-guided approach dramatically accelerates the pace of materials discovery. A number of new La–B–H ternary compounds with formation energies within 100 meV/atom above the known ternary convex hull are discovered, including a known stable La(BH 4 ) 3 phase. Moreover, by replacing La with Group 1, 2, 3, 13, and 14 elements in the four lowest-energy La–B–H structures from our ML-guided predictions, several low-energy X–B-H (X = Mg, Ca, Sr, Ba, Sc, Y, Ac, Al, Ga, In, Si, Ge, Sn, Pb) compounds are predicted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Selective Antisite Defect Formation in WS 2 Monolayers via Reactive Growth on Dilute W-Au Alloy Substrates

Defects are ubiquitous in 2D materials and can affect the structure and properties of the materials and also introduce new functionalities. Methods to adjust the structure and density of defects during bottom-up synthesis are required to control the growth of 2D materials with tailored optical and electronic properties. In this study, the authors present an Au-assisted chemical vapor deposition approach to selectively form S W and S2 W antisite defects, whereby one or two sulfur atoms substitute for a tungsten atom in WS 2 monolayers. Guided by first-principles calculations, they describe a new method that can maintain tungsten-poor growth conditions relative to sulfur via the low solubility of W atoms in a gold/W alloy, thereby significantly reducing the formation energy of the antisite defects during the growth of WS 2 . The atomic structure and composition of the antisite defects are unambiguously identified by Z-contrast scanning transmission electron microscopy and electron energy-loss spectroscopy, and their total concentration is statistically determined, with levels up to ≈5.0%. Furthermore, scanning tunneling microscopy/spectroscopy measurements and first-principles calculations also verified these antisite defects and revealed the localized defect states in the bandgap of WS 2 monolayers. This bottom-up synthesis method to form antisite defects should apply in the synthesis of other 2D materials.

2D materials↗