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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Quantum optical microcombs

We present that a key challenge for quantum science and technology is to realize large-scale, precisely controllable, practical systems for non-classical secured communications, metrology and, ultimately, meaningful quantum simulation and computation. Optical frequency combs represent a powerful approach towards this goal, as they provide a very high number of temporal and frequency modes that can result in large-scale quantum systems. The generation and control of quantum optical frequency combs will enable a unique, practical and scalable framework for quantum signal and information processing. Here, we review recent progress on the realization of energy–time entangled optical frequency combs and discuss how photonic integration and the use of fibre-optic telecommunications components can enable quantum state control with new functionalities, yielding unprecedented capability.

42 ENGINEERING↗
DOE OSTI2025

Real-space Kohn–Sham density functional theory for complex energy applications

Real-space Kohn-Sham density functional theory (real-space KS-DFT) enables large-scale electronic structure simulations that is particularly well-suited for the modern high-performance computing (HPC) architectures. This feature article reviews its theoretical foundations, highlights the algorithmic advances and recent developments, and showcases applications in complex nano systems. We aim to provide a perspective on the trajectory of real-space KS-DFT as an emerging tool for computational chemistry and materials science in the exascale era.

Zhang, Zeyi↗
DOE OSTI2024

GradDFT. A software library for machine learning enhanced density functional theory

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when dealing with strongly correlated systems. To address these shortcomings, recent work has begun to explore how machine learning can expand the capabilities of DFT: an endeavor with many open questions and technical challenges. In this work, we present GradDFT a fully differentiable JAX-based DFT library, enabling quick prototyping and experimentation with machine learning-enhanced exchange–correlation energy functionals. GradDFT employs a pioneering parametrization of exchange–correlation functionals constructed using a weighted sum of energy densities, where the weights are determined using neural networks. Moreover, GradDFT encompasses a comprehensive suite of auxiliary functions, notably featuring a just-in-time compilable and fully differentiable self-consistent iterative procedure. To support training and benchmarking efforts, we additionally compile a curated dataset of experimental dissociation energies of dimers, half of which contain transition metal atoms characterized by strong electronic correlations. The software library is tested against experimental results to study the generalization capabilities of a neural functional across potential energy surfaces and atomic species, as well as the effect of training data noise on the resulting model accuracy.

Chemistry↗
DOE OSTI2014

WE-D-9A-06: Open Source Monitor Calibration and Quality Control Software for Enterprise Display Management

Purpose: Medical display monitor calibration and quality control present challenges to medical physicists. The purpose of this work is to demonstrate and share experiences with an open source package that allows for both initial monitor setup and routine performance evaluation. Methods: A software package, pacsDisplay, has been developed over the last decade to aid in the calibration of all monitors within the radiology group in our health system. The software is used to calibrate monitors to follow the DICOM Grayscale Standard Display Function (GSDF) via lookup tables installed on the workstation. Additional functionality facilitates periodic evaluations of both primary and secondary medical monitors to ensure satisfactory performance. This software is installed on all radiology workstations, and can also be run as a stand-alone tool from a USB disk. Recently, a database has been developed to store and centralize the monitor performance data and to provide long-term trends for compliance with internal standards and various accrediting organizations. Results: Implementation and utilization of pacsDisplay has resulted in improved monitor performance across the health system. Monitor testing is now performed at regular intervals and the software is being used across multiple imaging modalities. Monitor performance characteristics such as maximum and minimum luminance, ambient luminance and illuminance, color tracking, and GSDF conformity are loaded into a centralized database for system performance comparisons. Compliance reports for organizations such as MQSA, ACR, and TJC are generated automatically and stored in the same database. Conclusion: An open source software solution has simplified and improved the standardization of displays within our health system. This work serves as an example method for calibrating and testing monitors within an enterprise health system.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Modeling the thermal deformation of TATB-based explosives. Part 1: Thermal expansion of “neat-pressed” polycrystalline TATB

We detail a modeling approach to simulate the anisotropic thermal expansion of polycrystalline (1,3,5-triamino-2,4,6-trinitrobenzene) TATB-based explosives that utilizes microstructural information including porosity, crystal aspect ratio, and processing-induced texture. This report, the first in a series, focuses on nonlinear thermal expansion of “neat-pressed” polycrystalline TATB specimens which do not contain any binder; additional complexities related to polymeric binder and irreversible ratcheting behavior are briefly discussed, however detailed investigation of these aspects are deferred to subsequent reports. In this work we have, for the first time, developed a mesoscale continuum model relating the thermal expansion of polycrystal TATB specimens to their microstructural characteristics. A self-consistent homogenization procedure is used to relate macroscopic thermoelastic response to the constitutive behavior of single-crystal TATB. The model includes a representation of grain aspect ratio, porosity, and crystallographic texture attributed to the consolidation process. A quantitative model is proposed to describe the evolution of preferred orientation of graphitic planes in TATB during consolidation and an algorithm constructed to develop a discrete representation of the associated orientation distribution function. Analytical and numerical solutions using this model are shown to produce textures consistent with previous measurements and characterization for isostatic and uniaxial “die-pressed” specimens. Predicted thermal strain versus temperature for textured specimens are shown to be in agreement with corresponding experimental measurements. Using the developed modeling approach, several simulations have been run to investigate the influence of microstructure on macroscopic thermal expansion behavior. Results from these simulations are used to identify qualitative trends. Implications of the identified trends are discussed in the context of thermal deformation of engineered components whose consolidation process is generally more complex than isostatic or die-pressed specimens. Finally, an envisioned application of the modeling approach to simulating thermal expansion of weapon systems and components is outlined along with necessary future work to introduce the effects of binder and ratcheting behavior. Key conclusions from this work include the following. Both porosity and grain aspect ratio have an influence on the thermal expansion of polycrystal TATB considering realistic material variability. Thepreferred orientation of the single crystal TATB [001] poles within a polycrystal gives rise to pronounced anisotropy of the macroscopic thermal expansion. The extent of this preferred orientation depends on the magnitude of deformation, and consequently, is expected to vary spatially throughout manufactured components much like porosity. The modeling approach presented here has utility toward bringing spatially variable microstructural features into macroscale system engineering modelsAbstract Not Provided

36 MATERIALS SCIENCE↗
DOE OSTI2015

Hydrogen Fracture Toughness Tester Completion

The Hydrogen Fracture Toughness Tester (HFTT) is a mechanical testing machine designed for conducting fracture mechanics tests on materials in high-pressure hydrogen gas. The tester is needed for evaluating the effects of hydrogen on the cracking properties of tritium reservoir materials. It consists of an Instron Model 8862 Electromechanical Test Frame; an Autoclave Engineering Pressure Vessel, an Electric Potential Drop Crack Length Measurement System, associated computer control and data acquisition systems, and a high-pressure hydrogen gas manifold and handling system.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Trust-Based Detection and Mitigation of Cyber Attacks in Distributed Cooperative Control of Islanded AC Microgrids

In this study, we address the challenge of detecting and mitigating cyber attacks in the distributed cooperative control of islanded AC microgrids, with a particular focus on detecting False Data Injection Attacks (FDIAs), a significant threat to the Smart Grid (SG). The SG integrates traditional power systems with communication networks, creating a complex system with numerous vulnerable links, making it a prime target for cyber attacks. These attacks can lead to the disclosure of private data, control network failures, and even blackouts. Unlike machine learning-based approaches that require extensive datasets and mathematical models dependent on accurate system modeling, our method is free from such dependencies. To enhance the microgrid’s resilience against these threats, we propose a resilient control algorithm by introducing a novel trustworthiness parameter into the traditional cooperative control algorithm. Our method evaluates the trustworthiness of distributed energy resources (DERs) based on their voltage measurements and exchanged information, using Kullback-Leibler (KL) divergence to dynamically adjust control actions. We validated our approach through simulations on both the IEEE-34 bus feeder system with eight DERs and a larger microgrid with twenty-two DERs. The results demonstrated a detection accuracy of around 100%, with millisecond range mitigation time, ensuring rapid system recovery. Additionally, our method improved system stability by up to almost 100% under attack scenarios, showcasing its effectiveness in promptly detecting attacks and maintaining system resilience. These findings highlight the potential of our approach to enhance the security and stability of microgrid systems in the face of cyber threats.

Computer Science↗
NASA NTRS1980

Physiology of man and animals in the Tenth Five-Year Plan: Proceedings of the Thirteenth Congress of the I. P. Pavlov All-Union Physiological Society

Research in the field of animal and human physiology is reviewed. The following topics on problems of physiological science and related fields of knowledge are discussed: neurophysiology and higher nervous activity, physiology of sensory systems, physiology of visceral systems, evolutionary and ecological physiology, physiological cybernetics, computer application in physiology, information support of physiological research, history and theory of development of physiology. Also discussed were: artificial intelligence, physiological problems of reflex therapy, correlation of structure and function of the brain, adaptation and activity, microcirculation, and physiological studies in nerve and mental diseases.

Lange, K. A.↗
NASA NTRS1995

The AAMP5/AAMP-FV project

This presentation describes a project, formal verification of the microcode in the AAMP5 microprocessor, conducted to explore how formal techniques for specification and verification could be introduced into an industrial process. Sponsored by the Systems Validation Branch of NASA Langley and by Collins Commercial Avionics, a division of Rockwell International, it was conducted by Collins and the SRI International Computer Science Laboratory. The project consisted of specifying in the PVS language developed by SRI a portion of a Rockwell proprietary microprocessor, the AAMP5, at both the instruction set and register-transfer levels and using the PVS theorem prover to prove the microcode correct for a representative subset of instructions. While this presentation includes a brief technical overview, its emphasis is on the lessons learned in using PVS for an example of this size and the implications for using formal methods in an industrial setting. The central result of this project was to demonstrate the feasibility of formally specifying a commercial microprocessor and the use of mechanical proofs of correctness to verify microcode. This is particularly significant since the AAMP5 was not designed for formal verification, but to provide a more than three fold performance improvement, by pipelining instruction execution, while remaining object code compatible with the earlier AAMP2. As a consequence, the AAMP5 is one of the most complex microprocessors to which formal methods have been applied. Another key result was the discovery of both actual and seeded errors. Two actual microcode errors were discovered and corrected during development of the formal specification, illustrating the value of simply creating a precise specification. Two seeded errors were systematically uncovered while doing correctness proofs. One of these was an actual error that had been discovered after first fabrication but left in the microcode provided to SRI. The other error was designed to be unlikely to be detected by walkthroughs, testing, or simulation. Several other results emerged during the project, including the ease with which practicing engineers became comfortable with PVS, the need for libraries of general purpose theories, the usefulness of formal specification in revealing errors, the natural fit between formal specification and inspections, the difficulty of selecting the best style of specification for a new problem domain, the high level of assurance provided by proofs of correctness, and the need to engineer proof strategies for reuse.

Miller, Steven P.↗
NASA NTRS2000

Horizon: A Proposal for Large Aperture, Active Optics in Geosynchronous Orbit

In 1999, NASA's New Millennium Program called for proposals to validate new technology in high-earth orbit for the Earth Observing-3 (NMP EO3) mission to fly in 2003. In response, we proposed to test a large aperture, active optics telescope in geosynchronous orbit. This would flight-qualify new technologies for both Earth and Space science: 1) a future instrument with LANDSAT image resolution and radiometric quality watching continuously from geosynchronous station, and 2) the Next Generation Space Telescope (NGST) for deep space imaging. Six enabling technologies were to be flight-qualified: 1) a 3-meter, lightweight segmented primary mirror, 2) mirror actuators and mechanisms, 3) a deformable mirror, 4) coarse phasing techniques, 5) phase retrieval for wavefront control during stellar viewing, and 6) phase diversity for wavefront control during Earth viewing. Three enhancing technologies were to be flight- validated: 1) mirror deployment and latching mechanisms, 2) an advanced microcontroller, and 3) GPS at GEO. In particular, two wavefront sensing algorithms, phase retrieval by JPL and phase diversity by ERIM International, were to sense optical system alignment and focus errors, and to correct them using high-precision mirror mechanisms. Active corrections based on Earth scenes are challenging because phase diversity images must be collected from extended, dynamically changing scenes. In addition, an Earth-facing telescope in GEO orbit is subject to a powerful diurnal thermal and radiometric cycle not experienced by deep-space astronomy. The Horizon proposal was a bare-bones design for a lightweight large-aperture, active optical system that is a practical blend of science requirements, emerging technologies, budget constraints, launch vehicle considerations, orbital mechanics, optical hardware, phase-determination algorithms, communication strategy, computational burdens, and first-rate cooperation among earth and space scientists, engineers and managers. This manuscript presents excerpts from the Horizon proposal's sections that describe the Earth science requirements, the structural -thermal-optical design, the wavefront sensing and control, and the on-orbit validation.

Chesters, Dennis↗
NASA NTRS2000

Nanotechnology at NASA Ames

Advanced miniaturization, a key thrust area to enable new science and exploration missions, provides ultrasmall sensors, power sources, communication, navigation, and propulsion systems with very low mass, volume, and power consumption. Revolutions in electronics and computing will allow reconfigurable, autonomous, 'thinking' spacecraft. Nanotechnology presents a whole new spectrum of opportunities to build device components and systems for entirely new space architectures: (1) networks of ultrasmall probes on planetary surfaces; (2) micro-rovers that drive, hop, fly, and burrow; and (3) collections of microspacecraft making a variety of measurements.

Srivastava, Deepak↗
NASA NTRS2011

Using a Multicore Processor for Rover Autonomous Science

Multicore processing promises to be a critical component of future spacecraft. It provides immense increases in onboard processing power and provides an environment for directly supporting fault-tolerant computing. This paper discusses using a state-of-the-art multicore processor to efficiently perform image analysis onboard a Mars rover in support of autonomous science activities.

Mars↗
NASA NTRS2011

AutoBayes Program Synthesis System System Internals

This lecture combines the theoretical background of schema based program synthesis with the hands-on study of a powerful, open-source program synthesis system (Auto-Bayes). Schema-based program synthesis is a popular approach toward program synthesis. The lecture will provide an introduction into this topic and discuss how this technology can be used to generate customized algorithms. The synthesis of advanced numerical algorithms requires the availability of a powerful symbolic (algebra) system. Its task is to symbolically solve equations, simplify expressions, or to symbolically calculate derivatives (among others) such that the synthesized algorithms become as efficient as possible. We will discuss the use and importance of the symbolic system for synthesis. Any synthesis system is a large and complex piece of code. In this lecture, we will study Autobayes in detail. AutoBayes has been developed at NASA Ames and has been made open source. It takes a compact statistical specification and generates a customized data analysis algorithm (in C/C++) from it. AutoBayes is written in SWI Prolog and many concepts from rewriting, logic, functional, and symbolic programming. We will discuss the system architecture, the schema libary and the extensive support infra-structure. Practical hands-on experiments and exercises will enable the student to get insight into a realistic program synthesis system and provides knowledge to use, modify, and extend Autobayes.

Statistical Algorithms↗
NASA NTRS2020

SAGE III ISS Contamination Monitoring Package: Observations in Orbit

The Stratospheric Aerosol and Gas Experiment III (SAGE III) telescope and instrument assembly employ the methods of solar occultation and lunar occultation to retrieve near-global vertical profiles of atmospheric ozone, water vapor, nitrogen dioxide, aerosol extinctions, and other gaseous species and atmospheric state parameters. The SAGE III grating spectrometer measures light within the spectral range of 280 nm to 1037 nm at approximately 1 nm resolution, but retrievals in the Ultraviolet (UV) are particularly sensitive to contamination of the optical train. Therefore, a contamination door that contains a quartz optical window can be closed over the telescope aperture during periods of enhanced external contaminant flux. This optically transparent window permits continued science event acquisition at an acceptably diminished signal-to-noise ratio, which is expected to decline with ongoing accretion of contaminant material. To date, this impact has been short term, and science quality through the window returns to baseline performance after a contamination source is removed and spontaneous desorption removes material from the low-affinity quartz surface. Two Contamination Monitoring Packages (CMPs) consisting of eight Thermoelectric Quartz Crystal Microbalances (TQCMs) from QCM Research provide characterization and redundant monitoring of contaminant deposition from the 2π steradian solid angle on the payload side of the Expedite the Processing of Experiments to the Space Station (ExPRESS) Payload Adapter. CMP data are closely examined by the SAGE III team to determine when the contamination door should remain closed during science events and in what direction the instrument assembly scan head should stow when not acquiring science measurements. Additionally, should the CMPs indicate an unacceptable accretion rate, the ight computer will close the contamination door as part of the automatic fault detection system. Along with spectrometer measurements of the quartz window's transmission, the payload CMPs enable auditing of the mission contamination budget. The process of Thermogravimetric Analysis (TGA) can be used to help identify chemical constituents accreted on the CMP sensors. To be presented here along with an explanation of the CMP systems are the first two and a half years of observations of the contaminant deposition environment around the payload in quiescence and during special events like docking vehicles.

Tyler T Dawson↗
NASA NTRS2020

SAGE III/ISS Contamination Monitoring Package: Observations in Orbit

The Stratospheric Aerosol and Gas Experiment III (SAGE III) telescope and instrument assembly employ the methods of solar occultation and lunar occultation to retrieve near-global vertical profiles of atmospheric ozone, water vapor, nitrogen dioxide, aerosol extinctions, and other gaseous species and atmospheric state parameters. The SAGE III grating spectrometer measures light within the spectral range of 280 nm to 1037 nm at approximately 1 nm resolution, but retrievals in the Ultraviolet (UV) are particularly sensitive to contamination of the optical train. Therefore, a contamination door that contains a quartz optical window can be closed over the telescope aperture during periods of enhanced external contaminant flux. This optically transparent window permits continued science event acquisition at an acceptably diminished signal-to-noise ratio, which is expected to decline with ongoing accretion of contaminant material. To date, this impact has been short term, and science quality through the window returns to baseline performance after a contamination source is removed and spontaneous desorption removes material from the low-affinity quartz surface. Two Contamination Monitoring Packages (CMPs) consisting of eight Thermoelectric Quartz Crystal Microbalances (TQCMs) from QCM Research provide characterization and redundant monitoring of contaminant deposition from the 2pi steradian solid angle on the payload side of the Expedite the Processing of Experiments to the Space Station (ExPRESS) Payload Adapter. CMP data are closely examined by the SAGE III team to determine when the contamination door should remain closed during science events and in what direction the instrument assembly scan head should stow when not acquiring science measurements. Additionally, should the CMPs indicate an unacceptable accretion rate, the flight computer will close the contamination door as part of the automatic fault detection system. Along with spectrometer measurements of the quartz window's transmission, the payload CMPs enable auditing of the mission contamination budget. The process of Thermogravimetric Analysis (TGA) can be used to help identify chemical constituents accreted on the CMP sensors. To be presented here along with an explanation of the CMP systems are the first two and a half years of observations of the contaminant deposition environment around the payload in quiescence and during special events like docking vehicles.

Tyler T Dawson↗
DOE OSTI2021

Finalizing Construction of a New Data Center at BNL

Computational science, data management and analysis have been key factors in the success of Brookhaven National Laboratory's scientific programs at the Relativistic Heavy Ion Collider (RHIC), the National Synchrotron Light Source II (NSLS-II), the Center for Functional Nanomaterials (CFN), and in biological, atmospheric, and energy systems science, Lattice Quantum Chromodynamics (LQCD) and Materials Science, as well as our participation in international research collaborations, such as the ATLAS experiment at Europe's Large Hadron Collider (LHC) at CERN (Switzerland) and the Belle II experiment at KEK (Japan). The construction of a new data center is an acknowledgement of the increasing demand for computing and storage services at BNL in the near term and enable the Lab to address the needs of the future experiments at the High-Luminosity LHC at CERN and the Electron-Ion Collider (EIC) at BNL in the long term.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Shaping the Future of Self-Driving Autonomous Laboratories Workshop

The "Shaping the Future of Self-Driving Autonomous Laboratories" workshop, held in Denver on November 7-8, 2024, brought together leading experts from materials science and computing to address the growing need to revolutionize scientific research through AI-driven autonomous laboratories. The workshop identified critical challenges, including the integration of heterogeneous data, development of AI systems that understand fundamental physical principles, and comprehensive safety protocols. Key recommendations emerged around developing universal laboratory equipment interfaces, implementing automated metadata collection systems, and creating hybrid AI approaches that combine data-driven learning with scientific principles. The workshop emphasized maintaining human oversight while leveraging automation, transforming scientific education to prepare the next generation of researchers, and establishing a national consortium leveraging DOE facilities as anchors for broader collaboration with academia and industry. Participants stressed the urgency of addressing the growing disconnect between human decision-making timescales and modern instrumentation capabilities, highlighting the need for strategic automation while preserving essential human insight and oversight in the research process.

36 MATERIALS SCIENCE↗