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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Localised instability of titanium during its erosion-corrosion in simulated acidic hydrometallurgical slurries

Electrochemical techniques were used to investigate the erosion-corrosion of titanium in simulated acidic mineral leaching slurries. Erosion-corrosion of titanium was caused by solid particle impingement. Electrochemical noise revealed that solid particle impacts resulted in localised fracture of the passive film, and erosion-corrosion of titanium proceeded in the form of current transients. As conditions become more abrasive, erosion-corrosion is an increasing threat to titanium equipment exposed to acidic slurries.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Based ab Initio Molecular Dynamics

The many-body expansion (MBE) and its extension to overlapping fragments, the generalized (G)MBE, constitute the theoretical basis for most fragment-based approaches for large-scale quantum chemistry. We reformulate the GMBE for use with embedding charges determined self-consistently from the fragment wave functions, in a manner that preserves the variational nature of the underlying self-consistent field method. As a result, the analytic gradient retains the simple “sum of fragment gradients” form that is often assumed in practice, sometimes incorrectly. This obviates (without approximation) the need to solve coupled-perturbed equations, and we demonstrate stable, fragment-based ab initio molecular dynamics simulations using this technique. Energy conservation fails when charge-response contributions to the Fock matrix are neglected, even while geometry optimizations and vibrational frequency calculations may yet be accurate. Stable simulations can be recovered by means of straightforward modifications introduced here, providing a general paradigm for fragment-based ab initio molecular dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Designing an Optimal Sensor Network via Minimizing Information Loss

Optimal experimental design is a classic topic in statistics, with many well-studied problems, applications, and solutions. The design problem we study is the placement of sensors to monitor spatiotemporal processes, explicitly accounting for the temporal dimension in our modeling and optimization. We observe that recent advancements in computational sciences often yield large datasets based on physics-based simulations, which are rarely leveraged in experimental design. We introduce a novel model-based sensor placement criterion, along with a highly-efficient optimization algorithm, which integrates physics-based simulations and Bayesian experimental design principles to identify sensor networks that “minimize information loss” from simulated data. Our technique relies on sparse variational inference and (separable) Gauss-Markov priors, and thus may adapt many techniques from Bayesian experimental design. We validate our method through a case study monitoring air temperature in Phoenix, Arizona, using state-of-the-art physics-based simulations. Our results show our framework to be superior to random or quasi-random sampling, particularly with a limited number of sensors. We conclude by discussing practical considerations and implications of our framework, including more complex modeling tools and real-world deployments.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Impact gages for detecting meteoroid and other orbital debris impacts on space vehicles.

Impacts on space vehicles have been simulated using the McDonnell Douglas Aerophysics Laboratory (MDAL) Light-Gas Guns to launch particles at hypervelocity speeds into scaled space structures. Using impact gages and a triangulation technique, these impacts have been detected and accurately located. This paper describes in detail the various types of impact gages (piezoelectric PZT-5A, quartz, electret, and off-the-shelf plastics) used. This description includes gage design and experimental results for gages installed on single-walled scaled payload carriers, multiple-walled satellites and space stations, and single-walled full-scale Delta tank structures. A brief description of the triangulation technique, the impact simulation, and the data acquisition system are also included.

Mastandrea, J. R.↗
NASA NTRS2021

Data Assimilation of Terrestrial Water Storage Observations to Estimate Precipitation Fluxes: A Synthetic Experiment

The Gravity Recovery and Climate Experiment (GRACE) mission and its Follow-On (GRACE-FO) mission provide unprecedented observations of terrestrial water storage (TWS) dynamics at basin to continental scales. Established GRACE data assimilation techniques directly adjust the simulated water storage components to improve the estimation of groundwater, streamflow, and snow water equivalent. Such techniques artificially add/subtract water to/from prognostic variables, thus upsetting the simulated water balance. To overcome this limitation, we propose and test an alternative assimilation scheme in which precipitation fluxes are adjusted to achieve the desired changes in simulated TWS. Using a synthetic data assimilation experiment, we show that the scheme improves performance skill in precipitation estimates in general, but that it is more robust for snowfall than for rainfall, and it fails in certain regions with strong horizontal gradients in precipitation. The results demonstrate that assimilation of TWS observations can help correct (adjust) the model’s precipitation forcing and, in turn, enhance model estimates of TWS, snow mass, soil moisture, runoff, and evaporation. A key limitation of the approach is the assumption that all errors in TWS originate from errors in precipitation. Nevertheless, the proposed approach produces more consistent improvements in simulated runoff than the established GRACE data assimilation techniques.

Data Assimilation↗
NASA NTRS1998

Intracranial pressure dynamics during simulated microgravity using a new noninvasive ultrasonic technique

It is believed that intracranial pressure (ICP) may be elevated in microgravity because a fluid shift toward the head occurs due to loss of gravitational blood pressures. Elevated ICP may contribute to space adaptation syndrome, because as widely observed in clinical settings, elevated ICP causes headache, nausea, and projectile vomiting, which are similar to symptoms of space adaptation syndrome. However, the hypothesis that ICP is altered in microgravity is difficult to test because of the invasiveness of currently-available techniques. We have developed a new ultrasonic technique, which allows us to record ICP waveforms noninvasively. The present study was designed to understand postural effects on ICP and assess the feasibility of our new device in future flight experiments.

NASA Center ARC↗
NASA NTRS1973

Redundancy management of inertial systems.

The paper reviews developments in failure detection and isolation techniques applicable to gimballed and strapdown systems. It examines basic redundancy management goals of improved reliability, performance and logistic costs, and explores mechanizations available for both input and output data handling. The meaning of redundant system reliability in terms of available coverage, system MTBF, and mission time is presented and the practical hardware performance limitations of failure detection and isolation techniques are explored. Simulation results are presented illustrating implementation coverages attainable considering IMU performance models and mission detection threshold requirements. The implications of a complete GN&C redundancy management method on inertial techniques are also explored.

Mckern, R. A.↗
NASA NTRS1991

Monte Carlo analysis of dissociation and recombination behind strong shock waves in nitrogen

Computations are presented for the relaxation zone behind strong, 1D shock waves in nitrogen. The analysis is performed with the direct simulation Monte Carlo method (DSMC). The DSMC code is vectorized for efficient use on a supercomputer. The code simulates translational, rotational and vibrational energy exchange and dissociative and recombinative chemical reactions. A model is proposed for the treatment of three body-recombination collisions in the DSMC technique which usually simulates binary collision events. The model improves previous models because it can be employed with a large range of chemical-rate data, does not introduce into the flow field troublesome pairs of atoms which may recombine upon further collision (pseudoparticles) and is compatible with the vectorized code. The computational results are compared with existing experimental data. It is shown that the derivation of chemical-rate coefficients must account for the degree of vibrational nonequilibrium in the flow. A nonequilibrium-chemistry model is employed together with equilibrium-rate data to compute the flow in several different nitrogen shock waves.

Boyd, I. D.↗
NASA NTRS1993

Resolution enhancement of spaceborne scatterometer data

Spaceborne wind scatterometers are designed principally to measure radar backscatter from the ocean's surface for the determination of the near-surface wind direction and speed. Although measurements of the radar backscatter are made over land, application of these measurements has been limited primarily to the calibration of the instrument. In this paper we present a method for generating enhanced resolution radar images of the earth's surface using spaceborne scatterometry. The technique is based on a new image reconstruction technique which takes advantage of the spatial overlap in scatterometer measurements made at different times to provide enhanced imaging resolution. We describe the reconstruction algorithm and demonstrate the technique using both simulated and actual Seasat-A Scatterometer (SASS) measurements. The SASS-derived images, which have approximately 4 km resolution, dramatically illustrate the resolution enhancement capability of the new technique. The technique permits utilization of both historic and contemporary scatterometer data for medium-scale monitoring of vegetation and polar ice. We discuss the tradeoff between imaging noise and resolution inherent in the technique.

Long, David G.↗
DOE OSTI2025

DeepDiagnostics: A Software Package for Streamlined Posterior Evaluation

Automated prediction techniques like simulation-based inference (SBI) are important tasks for science experiments that produce large amounts of complex, raw data. However, their development remains in its early stages because the uncertainties of these techniques lack sufficient trustworthiness and interpretability. Packages for SBI provide a growing set of diagnostics; however, the software requirements are substantial, as they are tied to the inference technology itself, and the APIs lack adaptability. We introduce the DeepDiagnostics package for diagnosing posteriors from analytic likelihood-based methods and SBI methods, such as neural posterior estimation. DeepDiagnostics produces a comprehensive set of high-quality visualizations and metrics in a highly accessible, easy-to-use, and flexible package. We address all of these goals by providing a command-line inference tool and a Python API that is controlled through a configuration file. The package includes common diagnostics, such as parity plots, corner (covariance) plots, simulation-based calibration (SBC) diagnostics (including posterior coverage and rank histograms), Lemos et al. s PQMass and TARP, Masserano et al. s WALDO, Linhart et al. s LC2ST, as well as credible region diagnostics developed by our group.

Voetberg, Maggie [Fermilab]↗
DOE OSTI2019

Quantum Computing for Quantum Simulation for NNSA Mission

Beginning with Feynman in 1982, it was proposed that highly controllable quantum devices, later to become known as quantum computers, would be especially good at the simulation of other quantum systems. Around the turn of the 21st century, this notion was later formalized (by Lloyd and coworkers at MIT and Laflamme and coworkers at Los Alamos) to show how in particular instances, we expect an exponential speedup in the solution of the Schroedinger equation for chemical systems. Subsequently, quantum-accelerated quantum simulation for chemistry techniques have been developed by IBM, Google, Harvard, etc. This effort has led to the OpenFermion (openfermion.org, OF) community, an open source effort for compiling and analyzing quantum algorithms to simulate fermionic systems, including quantum chemistry. Among other functionalities, the current version of OF features data structures and tools for obtaining and manipulating representations of fermionic and qubit Hamiltonians. In October, 2017, the cover of Chemical and Engineering News posited “Quantum computers: Chemistry could be the machine’s killer app” for first principles understanding of biological systems and complex materials. Prof. Aspuru-Guzik (Harvard) predicts “I think that before 2035 QC will be beating classical computers at chemistry.” The algorithms at the heart of quantum chemistry codes (eigensolvers, fast fourier transforms) are the computation bottleneck.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Addressing Experimental Challenges in Probing Dark Energy with Accuracy and Precision with the Rubin Observatory Legacy Survey of Space & Time (LSST)

With support from this award, the Stanford group under the leadership of PI Patricia Burchat focused on pixel-level algorithms that are key to the investigation of dark energy with the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST). The work was carried out through strong engagement in the DOE-supported LSST Dark Energy Science Collaboration (DESC), for which the PI served as Deputy Spokesperson (07/2019 - 07/2021) and Technical Coordinator (07/2021 - 07/2023). Members of the Burchat group are Full DESC members and are among scientists who have been accepted to join the Rubin Observatory System Integration, Test, and Commissioning (SIT-Com) effort. The specific intellectual focus of the group was the optimization of gravitational lensing as a probe of the evolution of the distribution of dark matter in space and time to learn about the nature of dark energy. The Stanford group pursued an integrated research program to understand in detail, and then remediate or calibrate, systematic effects that could limit the sensitivity of the LSST to cosmic shear as a dark energy probe -- particularly those related to our understanding of the atmospheric point spread function (PSF), challenges associated with blended galaxy images, and impacts of residual camera artifacts. Key to this work was developing, enhancing, and validating the fidelity of simulations that play a key role in the development of our understanding of subtle systematic biases and then using these simulations to develop techniques to characterize and mitigate biases, and associated algorithms for implementation in the LSST or DESC science pipelines. The group’s work included contributions to the open-source GalSim simulation package, which is widely used in the community; simulations and studies of spatial correlations of atmospheric PSFs; studies of temporal correlations of the atmospheric PSF; impacts of chromatic PSFs on cosmic shear calibration; continued studies of anisotropic Gaussian process interpolation of PSF models across the focal plane; and measuring and mitigating impacts of residual camera artifacts on cosmic shear. A primary impact of this work is that it increases the scientific discovery potential of the DOE and NSF investments in the Rubin Observatory Legacy Survey of Space \& Time, by addressing challenges in interpreting astronomical images through more accurate descriptions of the blurring of images due to the atmosphere. Specifically, this work impacts our ability to understand the fundamental nature of dark energy.

Burchat, Patricia Rose↗
NASA NTRS1972

Cryogenic applications for environment simulation.

Some of the applications of cryogenics for simulating space environmental conditions are reviewed, and typical existing space simulation facilities are described. The techniques of adapting cryogenics to environmental simulation are discussed. Special attention is given to cryosorption pumps designed to accelerate cryogenic cooling of the adsorbent material.

Hardgrove, W. F.↗
NASA NTRS1973

Bayesian estimation of life parameters in the Weibull distribution.

Development of a Bayesian analysis of the scale and shape parameters in the Weibull distribution and the corresponding reliability function with respect to the usual life-testing procedures. For the scale parameter theta, Bayesian estimates of theta and reliability are obtained for the uniform, exponential, and inverted gamma prior probability densities. Bhattacharya's results (1967) for the one-parameter exponential life-testing distribution are reduced to a special case of these results. A fully Bayesian analysis of both the scale and shape parameters is developed by assuming independent prior distributions; since in the latter case, analytical tractability is not possible, Bayesian estimates are obtained through a conjunction of Monte Carlo simulation and numerical-integration techniques. In both cases, a computer simulation is carried out, and a comparison is made between the Bayesian and the corresponding minimum-variance unbiased, or maximum likelihood, estimates. As expected, the Bayesian estimates are superior.

Canavos, G. C.↗
NASA NTRS1993

Teaching high-performance skills using above-real-time training

The above real-time training (ARTT) concept is an approach to teaching high-performance skills. ARTT refers to a training paradigm that places the operator in a simulated environment that functions at faster than normal time. It represents a departure from the intuitive, but not often supported, feeling that the best practice is determined by the training environment with the highest fidelity. This approach is hypothesized to provide greater 'transfer value' per simulation trial, by incorporating training techniques and instructional features into the simulator. Two related experiments are discussed. In the first, 25 naive male subjects performed three tank gunnery tasks on a simulator under varying levels of time acceleration (i.e., 1.0x, 1.6x, 2.0x, sequential, and mixed). They were then transferred to a standard (1.0x) condition for testing. Every accelerated condition or combination of conditions produced better training and transfer than the standard condition. Most effective was the presentation of trials at 1.0x, 1.6x, and 2.0x in a random order during training. Overall, the best ARTT group scored about 50 percent higher and trained in 25 percent less time compared to the real-time control group. In the second experiment, 24 mission-capable F-16 pilots performed three tasks on a part-task F-16A flight simulator under varying levels of time compression (i.e., 1.0x, 1.5x, 2.0x, and random). All subjects were then tested in a real-time environment. The emergency procedure (EP) task results showed increased accuracy for the ARTT groups. In testing (transfer), the ARTT groups not only performed the EP more accurately, but dealt with a simultaneous enemy significantly better than a real-time control group. Although the findings on an air combat maneuvering task and stern conversion task were mixed, most measures indicated that the ARTT groups performed better and faster than a real-time control group. Other implications for ARTT are discussed along with future research directions.

Guckenberger, Dutch↗
NASA NTRS2003

Scheduling Earth Observing Satellites with Evolutionary Algorithms

We hypothesize that evolutionary algorithms can effectively schedule coordinated fleets of Earth observing satellites. The constraints are complex and the bottlenecks are not well understood, a condition where evolutionary algorithms are often effective. This is, in part, because evolutionary algorithms require only that one can represent solutions, modify solutions, and evaluate solution fitness. To test the hypothesis we have developed a representative set of problems, produced optimization software (in Java) to solve them, and run experiments comparing techniques. This paper presents initial results of a comparison of several evolutionary and other optimization techniques; namely the genetic algorithm, simulated annealing, squeaky wheel optimization, and stochastic hill climbing. We also compare separate satellite vs. integrated scheduling of a two satellite constellation. While the results are not definitive, tests to date suggest that simulated annealing is the best search technique and integrated scheduling is superior.

Globus, Al↗
NASA NTRS2009

Cluster Development Test 2: An Assessment of a Failed Test

On 31 July 2008 the National Aeronautics and Space Administration Crew Exploration Vehicle Parachute Assembly System team conducted the final planned cluster test of the first generation parachute recovery system design. The two primary test objectives were to demonstrate the operation of the complete parachute system deployed from a full scale capsule simulator and to demonstrate the test technique of separating the capsule simulator from the Low Velocity Air Drop pallet used to extract the test article from a United States Air Force C-17 aircraft. The capsule simulator was the Parachute Test Vehicle with an accurate heat shield outer mold line and forward bay compartment of the Crew Exploration Vehicle Command Module. The Parachute Test Vehicle separated cleanly from the pallet following extraction, but failed to reach test conditions resulting in the failure of the test and the loss of the test assets. No personnel were injured. This paper will discuss the design of the test and the findings of the team that investigated the test, including a discussion of what were determined to be the root causes of the failure.

Machin, Ricardo A.↗