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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Analysis of Oil and Gas Ethane and Methane Emissions in the Southcentral and Eastern United States Using Four Seasons of Continuous Aircraft Ethane Measurements

In the last decade, much work has been done to better understand methane (CH 4 ) emissions from the oil and gas (O&G) industry in the United States. Ethane (C 2 H 6 ), a gas that is co-emitted with thermogenic sources of CH 4 , is emitted in the US predominantly by the O&G sector. Here, in this study, we perform an inverse analysis on 200 h of atmospheric boundary layer C 2 H 6 measurements to estimate C 2 H 6 emissions from the US O&G sector. Measurements were collected from 2017 to 2019 as part of the Atmospheric Carbon and Transport (ACT) America aircraft campaign and encompass much of the central and eastern United States. We find that for the fall, winter, and spring campaigns, C 2 H 6 data consistently exceeds values that would be expected based on EPA O&G leak rate estimates by more than 50%. C 2 H 6 observations from the summer 2019 data set show significantly lower C 2 H 6 enhancements in the southcentral region that cannot be reconciled with data from the other three seasons, either due to complex meteorological conditions or a temporal shift in the emissions. Combining the fall, winter, and spring C 2 H 6 posterior emissions estimate to an inventory of O&G CH 4 emissions, we estimate that O&G CH 4 emissions are larger than EPA inventory values by 48%–76%. Uncertainties in the gas composition data limit the accuracy of using C 2 H 6 as a proxy for O&G CH 4 emissions. These limits could be resolved retroactively by increasing the availability of industry-collected gas composition data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Inverse design of nanoporous crystalline reticular materials with deep generative models

Reticular frameworks are crystalline porous materials that form via the self-assembly of molecular building blocks in different topologies, with many having desirable properties for gas storage, separation, catalysis, biomedical applications and so on. The notable variety of building blocks makes reticular chemistry both promising and challenging for prospective materials design. Here we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder for the generative design of reticular materials. We demonstrate the automated design process with a class of metal–organic framework (MOF) structures and the goal of separating carbon dioxide from natural gas or flue gas. Our model shows high fidelity in capturing MOF structural features. Here, we show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Variational design principles for nonequilibrium colloidal assembly

Using large deviation theory and principles of stochastic optimal control, we show that rare molecular dynamics trajectories conditioned on assembling a specific target structure encode a set of interactions and external forces that lead to enhanced stability of that structure. Such a relationship can be formulated into a variational principle, for which we have developed an associated optimization algorithm and have used it to determine optimal forces for targeted self-assembly within nonequilibrium steady-states. We illustrate this perspective on inverse design in a model of colloidal cluster assembly within linear shear flow. We find that colloidal clusters can be assembled with high yield using specific short-range interactions of tunable complexity. Shear decreases the yields of rigid clusters, while small values of shear increase the yields of nonrigid clusters. The enhancement or suppression of the yield due to shear is rationalized with a generalized linear response theory. Furthermore, by studying 21 unique clusters made of six, seven, or eight particles, we uncover basic design principles for targeted assembly out of equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Multiqubit noise deconvolution and characterization

We present a noise deconvolution technique for obtaining noiseless expectation values of noisy observables at the output of multiqubit quantum channels. For any number of qubits or in the presence of correlations, our protocol applies to any mathematically invertible noise model, even when its inverse map is not physically implementable, i.e., when it is neither completely positive nor trace preserving. For a generic observable affected by Pauli noise it provides a quadratic speedup, always producing a rescaling of its Pauli basis components. We show that it is still possible to achieve the deconvolution while experimentally estimating the noise parameters, whenever these are unknown (bypassing resource-heavy techniques such as quantum process tomography). We provide a simulation, with examples for both Pauli and non-Pauli channels.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Unusual characteristics of the carbon cycle during the 2015–2016 El Niño

The 2015–2016 El Niño was one of the strongest on record, but its influence on the carbon balance is less clear. Using Northern Hemisphere atmospheric CO 2 observations, we found both detrended atmospheric CO 2 growth rate (CGR) and CO 2 seasonal-cycle amplitude (SCA) of 2015–2016 were much higher than that of other El Niño events. The simultaneous high CGR and SCA were unusual, because our analysis of long-term CO 2 observations at Mauna Loa revealed a significantly negative correlation between CGR and SCA. Atmospheric inversions and terrestrial ecosystem models indicate strong northern land carbon uptake during spring but substantially reduced carbon uptake (or high emissions) during early autumn, which amplified SCA but also resulted in a small anomaly in annual carbon uptake of northern ecosystems in 2015–2016. This negative ecosystem carbon uptake anomaly in early autumn was primarily due to soil water deficits and more litter decomposition caused by enhanced spring productivity. Furthermore, our study demonstrates a decoupling between seasonality and annual carbon cycle balance in northern ecosystems over 2015–2016, which is unprecedented in the past five decades of El Niño events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Overview of the SCEC/USGS Community Stress Drop Validation Study Using the 2019 Ridgecrest Earthquake Sequence

We present initial findings from the ongoing Community Stress Drop Validation Study to compare spectral stress-drop estimates for earthquakes in the 2019 Ridgecrest, California, sequence. This study uses a unified dataset to independently estimate earthquake source parameters through various methods. Stress drop, which denotes the change in average shear stress along a fault during earthquake rupture, is a critical parameter in earthquake science, impacting ground motion, rupture simulation, and source physics. Spectral stress drop is commonly derived by fitting the amplitude-spectrum shape, but estimates can vary substantially across studies for individual earthquakes. Sponsored jointly by the U.S. Geological Survey and the Statewide (previously, Southern) California Earthquake Center our community study aims to elucidate sources of variability and uncertainty in earthquake spectral stress-drop estimates through quantitative comparison of submitted results from independent analyses. The dataset includes nearly 13,000 earthquakes ranging from M 1 to 7 during a two-week period of the 2019 Ridgecrest sequence, recorded within a 1° radius. Here, in this article, we report on 56 unique submissions received from 20 different groups, detailing spectral corner frequencies (or source durations), moment magnitudes, and estimated spectral stress drops. Methods employed encompass spectral ratio analysis, spectral decomposition and inversion, finite-fault modeling, ground-motion-based approaches, and combined methods. Initial analysis reveals significant scatter across submitted spectral stress drops spanning over six orders of magnitude. However, we can identify between-method trends and offsets within the data to mitigate this variability. Averaging submissions for a prioritized subset of 56 events shows reduced variability of spectral stress drop, indicating overall consistency in recovered spectral stress-drop values.

58 GEOSCIENCES↗
DOE OSTI2020

Assessment of Borehole Gravity (Density) Monitoring for CO 2 Injection into the Dover 33 Reef

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. This report presents the results of BHG surveys conducted in the Lawnichak-Myskier 1-33 well in the Dover 33 reef by Tellus Gravity and Micro-g LaCoste in 2013, 2016, and 2018. A comparison of the data from the three surveys was performed to determine the feasibility of BHG to detect and monitor the location of the injected CO 2 in the reef over time. In addition, modeling was performed to compare the field data with the modeled data. Applying time-lapse BHG monitoring to a carbon sequestration site consists of determining temporal gravity anomalies related to the injection of CO 2 , and exclusively associated to the redistribution of the fluids in the pore space.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Inverse Reinforcement Learning based Bayesian Goal Inference Method for Early Nuclear Proliferation Detection

Traditional methods for detection of nuclear proliferation indicators are usually applied after nuclear proliferation has already occurred. There is a need to advance these methods to perform early detection of nuclear proliferation indicators. In this project, we formulated an early detection problem as a sequential, decision-making, goal inference problem based on research publications of authors, to determine whether it is possible to infer whether an author will publish on a research activity before it has occurred. To develop and test our approach, we selected a civil nuclear activity for our case study. We constructed a state-action-state transition graph from publications of authors associated with the activity and the co-authors of their publications, using titles, abstracts, and author publication sequences. We then used inverse reinforcement learning to model the goal-directed behavior of authors in trajectories that terminate at selected goal states. Using a Bayesian formulation, we computed the probability that authors would reach each selected state from partially observed trajectories of their state transitions in their research topic space. The state with the highest probability was selected as the most probable goal state. Based on our results, we found that 60% of the times we can infer the correct goal state early; sometimes the inference is either delayed, or multiple states could be inferred as goal states. Overall, our results show that it is possible to perform early detection of research activities of authors in a nuclear technology area. Further research is necessary to establish a more accurate understanding of how topic modeling, topic space grid discretization, and the extent of overlap among trajectories of different goal states, affect the goal inference results. The methods developed in this work may be used to enhance data-driven methods for early detection of nuclear proliferation indicators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Deformation and Transformation Textures in the NaMgF3 Neighborite—Post-Perovskite System

The D″ region of the lower mantle, which lies just above the core–mantle boundary, is distinct from the bulk of the lower mantle in that it exhibits complex seismic heterogeneity and seismic anisotropy. Seismic anisotropy in this region is likely to be largely due to the deformation-induced texture (crystallographic preferred orientation) development of the constituent mineral phases. Thus, seismic anisotropy can provide a marker for deformation processes occurring in this dynamic region of the Earth. Post-perovskite-structured (Mg,Fe)SiO3 is believed to be the dominant mineral phase in many regions of the D”. As such, understanding deformation mechanisms and texture development in post-perovskite is important for the interpretation of observed seismic anisotropy. Here, we report on high-pressure diamond anvil cell deformation experiments on NaMgF3 neighborite (perovskite structure) and post-perovskite. During deformation, neighborite develops a 100 texture, as has been previously observed, both in NaMgF3 and MgSiO3 perovskite. Upon transformation to the post-perovskite phase, an initial texture of {130} at high angles to compression is observed, indicating that the {100} planes of perovskite become the ~{130} planes of post-perovskite. Further compression results in the development of a shoulder towards (001) in the inverse pole figure. Plasticity modeling using the elasto-viscoplastic self-consistent code shows this texture evolution to be most consistent with deformation on (001)[100] with some contribution of glide on (100)[010] and (001)<110> in NaMgF3 post-perovskite. The transformation and deformation mechanisms observed in this study in the NaMgF3 system are consistent with the behavior generally observed in other perovskite–post-perovskite systems, including the MgSiO3 system. This shows that NaMgF3 is a good analog for the mantle bridgmanite and MgSiO3 post-perovskite.

Geochemistry & Geophysics↗
NASA NTRS1978

Evidence for a non-random magnetization of the moon

An approximate inversion, using a specific model, of Apollo subsatellite vector magnetometer data has provided estimates for the locations, scale sizes, and magnetization characteristics of strongly magnetized lunar crustal materials across a portion of the lunar far side. The nearly model-independent local bulk directions of magnetization, while otherwise random, exhibit a tendency to lie in or near planes perpendicular to the present lunar spin axis. The apparent existence of such a preferred plane of magnetization must be regarded as unfavorable for proposed local, presumably random sources of large-scale, coherent magnetization and implies that any assumed internal magnetizing dipole or external linear magnetizing field must also have been oriented mainly perpendicular to the present spin axis. The otherwise random orientations of these vectors when projected onto the equatorial plane suggests a simple explanation for the negligible lunar global dipole moment.

Hood, L.↗
NASA NTRS1979

High-resolution spectra of Jupiter in the 744-980 inverse centimeter spectral range

Spectra of the central 5 in region of Jupiter in the 744 to 980 kayser spectral range are presented at 0.05 and 0.28 kayser resolution. The gases (N-14)H3, (N-15)H3, and PH3 are observed in absorption, and C2H2 and C2H6 observed in emission. A synthetic spectrum which included the opacity from the H2, (N-14)H3, (N-15)H3, and PH3 is compared with observations. It is concluded that: (1) the (N-14)H3 line profiles are best fitted with a NH3 density in the troposphere which is 0.5 times the saturated vapor pressure density and an opaque cloud at the 0.56 bar pressure level, (2) the best fit (N-15)H3/(N-14)H3 ratio is 0.006, (3) the PH3/H2 abundance ratios of NH3 and PH3 must be highly subsaturated above the tropopause or the temperature inversion is cooler than model predictions.

Tokunaga, A. T.↗
NASA NTRS1979

Total aircraft flight-control system - Balanced open- and closed-loop control with dynamic trim maps

The availability of the airborne digital computer has made possible a Total Aircraft Flight Control System (TAFCOS) that uses virtually the complete nonlinear propulsive and aerodynamic data for the aircraft to construct dynamic trim maps that represent an inversion of the aircraft model. The trim maps, in series with the aircraft, provide essentially a linear feed-forward path. Basically, open-loop trajectory control is employed with only a small perturbation feedback signal required to compensate for inaccuracy in the aircraft model and for external disturbances. Simulation results for application to an automatic carrier-landing system are presented. Flight-test results for a STOL aircraft operating automatically over a major portion of its flight regime are presented. The concept promises a more rapid and straightforward design from aerodynamic principles, particularly for highly nonlinear configurations, and requires substantially less digital computer capacity than conventional automatic flight-control system designs.

Smith, G. A.↗
NASA NTRS1981

Closed coronal structures. II - Generalized hydrostatic model

Numerical computations of stationary solar coronal loop atmospheres are used to extend earlier analytical work. Two classes of loops are examined, namely symmetric loops with a temperature maximum at the top but now having a length greater than the pressure scale height and loops which have a local temperature minimum at the top. For the first class, new scaling laws are found which relate the base pressure and loop length to the base heating, the heating deposition scale height, and the pressure scale height. It is found that loops for which the length is greater than about two to three times the pressure scale height do not have stable solutions unless they have a temperature minimum at the top. Computed models with a temperature inversion at the top are permitted in a wider range of heating deposition scale height values than are loops with a temperature maximum at the top. These results are discussed in relation to observations showing a dependence of prominence formation and stability on the state of evolution of magnetic structures, and a general scenario is suggested for the understanding of loop evolution from emergence in active regions through the large-scale structure phase to opening in coronal holes.

Serio, S.↗
NASA NTRS1982

A model of the thermal-spike mechanism in graphite/epoxy laminates

The influence of a thermal spike on a moisture-saturated graphite/epoxy composite was studied in detail. A single thermal spike from 25 C to 132 C was found to produce damage as evidenced by a significant increase in the level of moisture saturation in the composite. Approximately half of this increase remained after a vacuum anneal at 150 C for 7 days, suggesting the presence of an irreversible damage component. Subsequent thermal spikes created less and less additional moisture absorption, with the cumulative effect being a maximum or limiting moisture capacity of the composite. These observations are explained in terms of a model previously developed to explain the reverse thermal effect of moisture absorption in epoxy and epoxy matrix composites. This model, based on the inverse temperature dependence of free volume, contributes an improved understanding of thermal-spike effects in graphite/epoxy composites.

Adamson, M. J.↗
NASA NTRS1983

Computational methods for estimation of parameters in hyperbolic systems

Approximation techniques for estimating spatially varying coefficients and unknown boundary parameters in second order hyperbolic systems are discussed. Methods for state approximation (cubic splines, tau-Legendre) and approximation of function space parameters (interpolatory splines) are outlined and numerical findings for use of the resulting schemes in model "one dimensional seismic inversion' problems are summarized.

Banks, H. T.↗
NASA NTRS1983

A conceptual model of the thermal-spike mechanism in graphte/epoxy laminates

The influence of a thermal spike on a moisture-saturated graphite/epoxy composite was studied in detail. A single thermal spike from 25 to 132 C was found to produce damage, as evidenced by a significant increase in the level of moisture saturation in the composite. Approximately half of this increase remained after a vacuum-anneal at 150 C for seven days, suggesting the presence of an irreversible damage component. Subsequent thermal spikes created less and less additional moisture absorption, with the cumulative effect being a maximum or limiting moisture capacity of the composite. These observations are explained in terms of a model previously developed to explain the reverse thermal effect of moisture absorption in epoxy and epoxy-matrix composites. This model, based on the inverse temperature dependence of free volume, improves current understanding of thermal spike effects in graphite/epoxy composites.

Adamson, M. J.↗