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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation has been greatly expanded to include k-point symmetries, tensor-hypercontraction, and accelerated graphical processing unit (GPU) support. These scaling and memory reductions greatly increase the number of orbitals that can practically be included in AFQMC calculations, increasing the accuracy. Advances in real space methods include techniques for accurate computation of bandgaps and for systematically improving the nodal surface of ground state wavefunctions. Results of these calculations can be used to validate application of more approximate electronic structure methods, including GW and density functional based techniques. To provide an improved foundation for these calculations, we utilize a new set of correlation-consistent effective core potentials (pseudopotentials) that are more accurate than previous sets; these can also be applied in quantum-chemical and other many-body applications, not only QMC. These advances increase the efficiency, accuracy, and range of properties that can be studied in both molecules and materials with QMC and QMCPACK.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Weather forecasting support for AASE-2

The AFEAS Contract and NASA Grant were awarded to Penn State in order to obtain real-time weather forecasting support for the NASA AASE-II Project, which was conducted between October 1991 and March 1992. Because of the special weather sensitivities of the NASA ER-2 aircraft, AASE-II planners felt that public weather forecasts issued by the National Weather Service would not be adequate for mission planning purposes. A likely consequence of resorting to that medium would have been that scientists would have had to be at work by 4 AM day after day in the hope that the aircraft could fly, only to be frustrated by a great number of 'scrubbed' missions. Thus, the Pennsylvania State University was contracted to provide real-time weather support to the AASE-II mission.

Forbes, Gregory S.↗
NASA NTRS2019

Enabling Real-time Multi-messenger Astrophysics Discoveries with Deep Learning

Multi-messenger astrophysics is a fast-growing, interdisciplinary field that combines data, which vary in volume and speed of data processing, from many different instruments that probe the Universe using different cosmic messengers: electromagnetic waves, cosmic rays, gravitational waves and neutrinos. In this Expert Recommendation, we review the key challenges of real-time observations of gravitational wave sources and their electromagnetic and astroparticle counterparts, and make a number of recommendations to maximize their potential for scientific discovery. These recommendations refer to the design of scalable and computationally efficient machine learning algorithms; the cyber-infrastructure to numerically simulate astrophysical sources, and to process and interpret multi-messenger astrophysics data; the management of gravitational wave detections to trigger real-time alerts for electromagnetic and astroparticle follow-ups; a vision to harness future developments of machine learning and cyber-infrastructure resources to cope with the big-data requirements; and the need to build a community of experts to realize the goals of multi-messenger astrophysics.

E A Huerta↗
NASA NTRS2013

Real-Time Multimission Event Notification System for Mars Relay

As the Mars Relay Network is in constant flux (missions and teams going through their daily workflow), it is imperative that users are aware of such state changes. For example, a change by an orbiter team can affect operations on a lander team. This software provides an ambient view of the real-time status of the Mars network. The Mars Relay Operations Service (MaROS) comprises a number of tools to coordinate, plan, and visualize various aspects of the Mars Relay Network. As part of MaROS, a feature set was developed that operates on several levels of the software architecture. These levels include a Web-based user interface, a back-end "ReSTlet" built in Java, and databases that store the data as it is received from the network. The result is a real-time event notification and management system, so mission teams can track and act upon events on a moment-by-moment basis. This software retrieves events from MaROS and displays them to the end user. Updates happen in real time, i.e., messages are pushed to the user while logged into the system, and queued when the user is not online for later viewing. The software does not do away with the email notifications, but augments them with in-line notifications. Further, this software expands the events that can generate a notification, and allows user-generated notifications. Existing software sends a smaller subset of mission-generated notifications via email. A common complaint of users was that the system-generated e-mails often "get lost" with other e-mail that comes in. This software allows for an expanded set (including user-generated) of notifications displayed in-line of the program. By separating notifications, this can improve a user's workflow.

Wallick, Michael N.↗
DOE OSTI2020

Real-time structural motif searching in proteins using an inverted index strategy

Biochemical and biological functions of proteins are the product of both the overall fold of the polypeptide chain, and, typically, structural motifs made up of smaller numbers of amino acids constituting a catalytic center or a binding site that may be remote from one another in amino acid sequence. Detection of such structural motifs can provide valuable insights into the function(s) of previously uncharacterized proteins. Technically, this remains an extremely challenging problem because of the size of the Protein Data Bank (PDB) archive. Existing methods depend on a clustering by sequence similarity and can be computationally slow. We have developed a new approach that uses an inverted index strategy capable of analyzing >170,000 PDB structures with unmatched speed. The efficiency of the inverted index method depends critically on identifying the small number of structures containing the query motif and ignoring most of the structures that are irrelevant. Our approach (implemented at motif.rcsb.org ) enables real-time retrieval and superposition of structural motifs, either extracted from a reference structure or uploaded by the user. Herein, we describe the method and present five case studies that exemplify its efficacy and speed for analyzing 3D structures of both proteins and nucleic acids.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Real-time estimation of the electron temperature profile in DIII-D by leveraging neural-network surrogate models

Control of both the magnitude and the shape of tokamak profiles will be necessary to achieve stable, high-performance plasmas. In order to reject disturbances in real time, feedback-control algorithms rely on accurate real-time knowledge of the plasma state. When diagnostics alone are insufficient, either because they are limited in number or their measurements are too noisy, observers can be used to combine diagnostic data with a response model to provide a better estimation of different plasma properties. An observer has been developed to estimate the electron temperature profile in real time using both diagnostic data from the Thomson scattering system and a model based on the electron heat transport equation describing the evolution of the electron temperature profile. Here, neural network surrogate models are leveraged to help improve the overall model prediction while staying within computation time constraints for real-time use. The observer algorithm is shown in offline tests to produce smooth profiles that are consistent with both the diagnostic data and the electron heat transport equation. When implemented into the real-time plasma control system, this observer will provide valuable information on the electron temperature profile to many potential feedback-control applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Unfolding Structure Formation in the Dark Universe via Weak Gravitational Lensing: from Pixels to Cosmology in the Dark Energy Survey and Roman Space Telescope

Weak gravitational lensing (deflection of light from distant galaxies due to the gravitational potential of intervening mass) is one of the most exciting probes in cosmology as it is sensitive both to the growth of the large-scale structure and the expansion history of the Universe. We can measure the coherent distortion of galaxy shapes (which we call cosmic shear) and infer the matter distribution. With next-generation imaging surveys such as the Vera C. Rubin Observatory Legacy Survey of Space and Time (Rubin LSST) and the Nancy G. Roman Space Telescope (Roman), there is immense new promise in understanding the fundamental nature of dark matter and dark energy. With datasets from current experiments like the Dark Energy Survey (DES), we see apparent cosmological tensions between experiments that may either be real and indicate new physics or new systematics we do not yet understand. LSST and Roman will increase the number of galaxies we have observed by an order of magnitude, leading to improved constraints on our cosmological model by up to 300%. These experiments will have the potential to prove if these cosmological tensions are real. However, our control of systematic uncertainties must also improve by similar levels to achieve the promise of what these missions can deliver. To achieve these scientific outcomes, the challenges of determining galaxy shapes and redshifts and modeling the impact of astrophysical effects must be solved. My PhD has focused on enabling weak lensing science in DES and Roman. I co-led the shear analysis teams in DES to produce the largest weak lensing galaxy sample, as well as the final DES cosmological analysis of cosmic shear. For Roman, I have led two papers characterizing and mitigating shear-related systematics with image simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Exotic phases in finite-density ℤ 3 theories

Lattice ℤ 3 theories with complex actions share many key features with finite- density QCD including a sign problem and $\mathcal{CK}$ symmetry. Complex ℤ 3 spin and gauge models exhibit a generalized Kramers-Wannier duality mapping them onto chiral ℤ 3 spin and gauge models, which are simulatable with standard lattice methods in large regions of parameter space. The Migdal-Kadanoff real-space renormalization group (RG) preserves this duality, and we use it to compute the approximate phase diagram of both spin and gauge ℤ 3 models in dimensions one through four. Chiral ℤ 3 spin models are known to exhibit a Devil’s Flower phase structure, with inhomogeneous phases that can be thought of as ℤ 3 analogues of chiral spirals. Out of the large class of models we study, we find that only chiral spin models and their duals have a Devil’s Flower structure with an infinite set of inhomogeneous phases, a result we attribute to Elitzur’s theorem. We also find that different forms of the Migdal-Kadanoff RG produce different numbers of phases, a violation of the expectation for universal behavior from a real-space RG. We discuss extensions of our work to ℤ N models, SU(N) models and nonzero temperature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Safety-assured, real-time neural active fault management for resilient microgrids integration

Federated-learning-based active fault management (AFM) is devised to achieve real-time safety assurance for microgrids and the main grid during faults. AFM was originally formulated as a distributed optimization problem. Here, federated learning is used to train each microgrid's network with training data achieved from distributed optimization. The main contribution of this work is to replace the optimization-based AFM control algorithm with a learning-based AFM control algorithm. The replacement transfers computation from online to offline. With this replacement, the control algorithm can meet real-time requirements for a system with dozens of microgrids. By contrast, distributed-optimization-based fault management can output reference values fast enough for a system with several microgrids. More microgrids, however, lead to more computation time with optimization-based method. Distributed-optimization-based fault management would fail real-time requirements for a system with dozens of microgrids. Controller hardware-in-the-loop real-time simulations demonstrate that learning-based AFM can output reference values within 10 ms irrespective of the number of microgrids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2005

Visualization Methods for Viability Studies of Inspection Modules for the Space Shuttle

An effective simulation of an object, process, or task must be similar to that object, process, or task. A simulation could consist of a physical device, a set of mathematical equations, a computer program, a person, or some combination of these. There are many reasons for the use of simulators. Although some of the reasons are unique to a specific situation, there are many general reasons and purposes for using simulators. Some are listed but not limited to (1) Safety, (2) Scarce resources, (3) Teaching/education, (4) Additional capabilities, (5) Flexibility and (6) Cost. Robot simulators are in use for all of these reasons. Virtual environments such as simulators will eliminate physical contact with humans and hence will increase the safety of work environment. Corporations with limited funding and resources may utilize simulators to accomplish their goals while saving manpower and money. A computer simulation is safer than working with a real robot. Robots are typically a scarce resource. Schools typically don t have a large number of robots, if any. Factories don t want the robots not performing useful work unless absolutely necessary. Robot simulators are useful in teaching robotics. A simulator gives a student hands-on experience, if only with a simulator. The simulator is more flexible. A user can quickly change the robot configuration, workcell, or even replace the robot with a different one altogether. In order to be useful, a robot simulator must create a model that accurately performs like the real robot. A powerful simulator is usually thought of as a combination of a CAD package with simulation capabilities. Computer Aided Design (CAD) techniques are used extensively by engineers in virtually all areas of engineering. Parts are designed interactively aided by the graphical display of both wireframe and more realistic shaded renderings. Once a part s dimensions have been specified to the CAD package, designers can view the part from any direction to examine how it will look and perform in relation to other parts. If changes are deemed necessary, the designer can easily make the changes and view the results graphically. However, a complex process of moving parts intended for operation in a complex environment can only be fully understood through the process of animated graphical simulation. A CAD package with simulation capabilities allows the designer to develop geometrical models of the process being designed, as well as the environment in which the process will be used, and then test the process in graphical animation much as the actual physical system would be run . By being able to operate the system of moving and stationary parts, the designer is able to see in simulation how the system will perform under a wide variety of conditions. If, for example, undesired collisions occur between parts of the system, design changes can be easily made without the expense or potential danger of testing the physical system.

Mobasher, Amir A.↗
NASA NTRS1984

Real-time X-ray Diffraction: Applications to Materials Characterization

With the high speed growth of materials it becomes necessary to develop measuring systems which also have the capabilities of characterizing these materials at high speeds. One of the conventional techniques of characterizing materials was X-ray diffraction. Film, which is the oldest method of recording the X-ray diffraction phenomenon, is not quite adequate in most circumstances to record fast changing events. Even though conventional proportional counters and scintillation counters can provide the speed necessary to record these changing events, they lack the ability to provide image information which may be important in some types of experiment or production arrangements. A selected number of novel applications of using X-ray diffraction to characterize materials in real-time are discussed. Also, device characteristics of some X-ray intensifiers useful in instantaneous X-ray diffraction applications briefly presented. Real-time X-ray diffraction experiments with the incorporation of image X-ray intensification add a new dimension in the characterization of materials. The uses of real-time image intensification in laboratory and production arrangements are quite unlimited and their application depends more upon the ingenuity of the scientist or engineer.

Rosemeier, R. G.↗
NASA NTRS1978

Real-time synthetic aperture radar data processing for space applications

Range and azimuth correlation in the time domain using current state-of-the-art CCD LSI technology provides a potentially practical means of achieving real-time pipeline processing of SAR images for future space missions. The proposed range correlator approach, using already demonstrated CCD transversal filtering techniques, will require very little power: less than 10 watts per Seasat-type 20-km processing module. The azimuth correlator architecture is considerably more demanding since it requires a large number of parallel chips (1020 for a Seasat-type 20-km module) to achieve a real-time processing capability.

Arens, W. E.↗
NASA NTRS1994

Extracting Depth From Motion Parallax in Real-World and Synthetic Displays

In psychophysical studies on human sensitivity to visual motion parallax (MP), the use of computer displays is pervasive. However, a number of potential problems are associated with such displays: cue conflicts arise when observers accommodate to the screen surface, and observer head and body movements are often not reflected in the displays. We investigated observers' sensitivity to depth information in MP (slant, depth order, relative depth) using various real-world displays and their computer-generated analogs. Angle judgments of real-world stimuli were consistently superior to judgments that were based on computer-generated stimuli. Similar results were found for perceived depth order and relative depth. Perceptual competence of observers tends to be underestimated in research that is based on computer generated displays. Such findings cannot be generalized to more realistic viewing situations.

Hecht, Heiko↗
DOE OSTI2026

Microsecond-latency feedback at a particle accelerator by online reinforcement learning on hardware

The commissioning and operation of future large-scale scientific experiments will challenge current tuning and control methods. Reinforcement learning (RL) algorithms are a promising solution due to their ability to dynamically adapt to changing environments and consider delayed consequences. In many real-world applications, RL policies must produce actions in real time, often within microseconds to milliseconds, imposing significant constraints on system latency and computational overhead that conventional machine learning libraries are not designed to handle. To control phenomena in real time at these timescales, RL needs to be deployed on-the-edge, namely on dedicated hardware located near the system it controls, without relying on a host CPU or cloud-based inference. In this work we present the design and deployment of an experience accumulator system in a particle accelerator. In this system, deep-RL algorithms run using hardware acceleration and act within a few microseconds, enabling the use of RL for control of phenomena like beam instabilities. The training uses the collected data offline to reduce the number of operations carried out on the acceleration hardware. The proposed architecture was tested in real experimental conditions at the Karlsruhe research accelerator, a synchrotron light source, where the system was used to control artificially induced horizontal betatron oscillations in real-time, with a control loop period of just 2.7 μs. The results showed a performance comparable to the commercial feedback system available at the accelerator, demonstrating the viability and potential of this approach. Due to the self-learning and reconfiguration capability of this implementation, a seamless application to other control problems is possible. Applications range from particle accelerators to large-scale research and industrial facilities.

FPGA↗
NASA NTRS2000

Development and Implementation of Real-Time Information Delivery Systems for Emergency Management

The disaster management community has an on-going need for real-time data and information, especially during catastrophic events. Currently, twin engine or jet aircraft with limited altitude and duration capabilities collect much of the data. Flight safety is also an issue. Clearly, much of the needed data could be delivered via over-the-horizon transfer through a uninhabited aerial vehicles (UAV) platform to mission managers at various locations on the ground. In fact, because of the ability to stay aloft for long periods of time, and to fly above dangerous situations, UAV's are ideally suited for disaster missions. There are numerous situations that can be considered disastrous for the human population. Some, such as fire or flood, can continue over a period of days. Disaster management officials rely on data from the site to respond in an optimum way with warnings, evacuations, rescue, relief, and to the extent possible, damage control. Although different types of disasters call for different types of response, most situations can be improved by having visual images and other remotely sensed data available. "Disaster Management" is actually made up of a number of activities, including: - Disaster Prevention and Mitigation - Emergency Response Planning - Disaster Management (real-time deployment of resources, during an event) - Disaster / Risk Modeling All of these activities could benefit from real-time information, but a major focus for UAV-based technology is in real-time deployment of resources (i.e., emergency response teams), based on changing conditions at the location of the event. With all these potential benefits, it is desirable to demonstrate to user agencies the ability to perform disaster management missions as described. The following demonstration project is the first in a program designed to prove the feasibility of supporting disaster missions with UAV technology and suitable communications packages on-board. A several-year program is envisioned, in which a broad range of disaster-related activities are demonstrated to the appropriate user communities.

Wegener, Steve↗
DOE OSTI2021

Toward Decoding the Relationship between Domain Structure and Functionality in Ferroelectrics via Hidden Latent Variables

Polarization switching mechanisms in ferroelectric materials are fundamentally linked to local domain structure and the presence of the structural defects, which both can act as nucleation and pinning centers and create local electrostatic and mechanical depolarization fields affecting wall dynamics. However, the general correlative mechanisms between domain structure and polarization dynamics are only weakly explored, precluding insight into the associated physical mechanisms. In this work, the correlation between local domain structures and switching behavior in ferroelectric materials is explored using convolutional encoder–decoder networks, enabling image to spectral (im2spec) and spectral to image (spec2im) translations via encoding of latent variables. The latter reflect the assumption that the relationship between domain structure and polarization switching is parsimonious, i.e., is based upon a small number of local mechanisms. The analysis of latent variables distributions and their real-space representations provides insight into the predictability of the local switching behavior and hence associated physical mechanisms. We further pose that the regions where these correlative relationships are violated, i.e., predictability of the polarization dynamics from domain structure is reduced, represent the obvious target for detailed studies, e.g., in the context of automated experiments. This approach provides a workflow to establish the presence of correlation between local spectral responses and local structure and can be universally applied to spectral imaging techniques such as piezoresponse force microscopy (PFM), scanning tunneling microscopy (STM) and spectroscopy, and electron energy loss spectroscopy (EELS) in scanning transmission electron microscopy (STEM).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effective rationality for local unitary invariants of mixed states of two qubits

Abstract We calculate the field of rational local unitary invariants for mixed states of two qubits, by employing methods from algebraic geometry. We prove that this field is rational (i.e. purely transcendental), and that it is generated by nine algebraically independent polynomial invariants. We do so by constructing a relative section, in the sense of invariant theory, whose Weyl group is a finite abelian group. From this construction, we are able to give explicit expressions for the generating invariants in terms of the Bloch matrix representation of mixed states of two qubits. We also prove similar rationality results for the local unitary invariants of symmetrically mixed states of two qubits. We also provide a sketch of how to generalize our results to the case of an arbitrary number of qubits. Our results apply to both complex-valued and real-valued invariants.

Physics↗
DOE OSTI2024

HumoNet: A Framework for Realistic Modeling and Simulation of Human Mobility Network

Understanding, analyzing, and predicting human mobility and dynamics are valuable to solving pressing problems, developing effective plans, and prescribing timely remedies. As a computational approach, realistic human mobility simulations allow us to understand, analyze, and predict complex systems, including human societies. Accurate simulations rely on (1) the model that captures interactions and behaviors of myriad entities in our society and (2) the mapping of model instances to real-world entities. Taking this into account, this paper introduces the Human Mobility Network simulation framework (HumoNet), an integrated patterns of life (POL) simulation framework that leverages real-world data layers including transportation networks, points of interest, populations, popularity, and human trajectories. HumoNet is a data informed model in which agents are equipped with activities, locomotion, and planning capabilities. To simulate realistic kinematic maneuvers of individuals in transportation networks, HumoNet harnesses a microscopic traffic simulator that provides interaction among vehicles and traffic objects. In this paper, we describe the framework, outline our methodologies, and discuss the data processing and challenges of each data layer. Through experiments, we demonstrate that our simulations capture key features of human mobility by comparing them to the literature and real data using standard measures of human mobility (i.e., the radius of gyration, number of locations visited, level of exploration) and metrics scoring (i.e., Jensen-Shannon divergence). We envision that the synthetic data produced by HumoNet will serve as a benchmark for analyzing epidemics, deploying EV charging networks, and validating AI/ML tasks such as location prediction.

Kim, Joon-Seok↗