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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Persistence of negative vacancy and self-interstitial formation energies in atomistic models of amorphous silicon

We use classical potential atomistic modeling to demonstrate that negative vacancy and selfinterstitial formation energies are inherently present in amorphous silicon (a-Si). Our conclusions are based on comprehensive calculations of vacancy and self-interstitial formation energies in nine different models, ranging in size from 1000 to 2744 atoms and formed by quenching liquid Si at rates between 10 10 and 10 12 K/s. We account for a range of possible reference energies corresponding to different choices of reservoirs for atoms inserted into or removed from our models. Moreover, we show that successive addition of either vacancies or self-interstitials does not deplete the number of negative formation energy sites. Instead, it further lowers defect formation energies. Furthermore, these findings lead us to conclude that a-Si is not a structure at or near a local enthalpy minimum nor can it be brought to a local enthalpy minimum through the introduction of constitutional defects.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Self-Consistent Thermal Accretion Disk Corona Models for Compact Objects. I: Properties of the Corona and the Spectrum of Escaping Radiation

We present the properties of accretion disk corona (ADC) models in which the radiation field, the temperature, and the total opacity of the corona are determined self-consistently. We use a nonlinear Monte Carlo code to perform the calculations. As an example, we discuss models in which the corona is situated above and below a cold accretion disk with a plane-parallel (slab) geometry, similar to the model of Haardt & Maraschi. By Comptonizing the soft radiation emitted by the accretion disk, the corona is responsible for producing the high-energy component of the escaping radiation. Our models include the reprocessing of radiation in the accretion disk. Here the photons either are Compton-reflected or photoabsorbed, giving rise to fluorescent line emission and thermal emission. The self- consistent coronal temperature is determined by balancing heating (due to viscous energy dissipation) with Compton cooling, determined using the fully relativistic, angle-dependent cross sections. The total opacity is found by balancing pair productions with annihilations. We find that, for a disk temperature kT(sub BB) approx. less than 200 eV, these coronae are unable to have a self-consistent temperature higher than approx. 140 keV if the total optical depth is approx. less than 0.2, regardless of the compactness parameter of the corona and the seed opacity. This limitation corresponds to the angle-averaged spectrum of escaping radiation having a photon index approx. greater than 1.8 within the 5-30 keV band. Finally, all models that have reprocessing features also predict a large thermal excess at lower energies. These constraints make explaining the X-ray spectra of persistent black hole candidates with ADC models very problematic.

Dove, James B.↗
DOE OSTI2025

E3SM‐Arctic: Regionally Refined Coupled Model for Advanced Understanding of Arctic Systems Interactions

Earth system models are essential tools for climate projections, but coarse resolutions limit regional accuracy, especially in the Arctic. Regionally refined meshes (RRMs) enhance resolution in key areas while maintaining computational efficiency. This paper provides an overview of the United States (U.S.) Department of Energy's (DOE's) Energy Exascale Earth System Model version 2.1 with an Arctic RRM, hereafter referred to as E3SMv2.1-Arctic, for the atmosphere (25 km), land (25 km), and ocean/ice (10 km) components. We evaluate the atmospheric component and its interactions with land, ocean, and cryosphere by comparing the RRM (E3SM2.1-Arctic) historical simulations (1950–2014) with the uniform low-resolution (LR) counterpart, reanalysis products, and observational data sets. The RRM generally reduces biases in the LR model, improving simulations of Arctic large-scale mean fields, such as precipitation, atmospheric circulation, clouds, atmospheric river frequency, and sea ice thickness. However, it introduces a seasonally dependent surface air temperature bias, reducing the LR cold bias in summer but enhancing the LR warm bias in winter, which contributes to the underestimated winter sea ice area and volume. Radiative feedback analysis shows similar climate feedback strengths in both model configurations, with the RRM exhibiting a more positive surface albedo feedback and contributing to a stronger surface warming than LR. These findings underscore the importance of high-resolution modeling for advancing our understanding of Arctic climate changes and their broader global impacts, although some persistent biases appear to be independent of model resolution at 10–100 km scales.

Energy Exascale Earth System Model (E3SM)↗
DOE OSTI2023

Scaling from Flux Towers to Ecosystem Models: Regional Constraints on Carbon Cycle Processes from Atmospheric Carbonyl Sulfide (Final Report)

DOE supported research suggests that gross primary productivity (GPP) is largely underestimated by global earth system models [Welp et al., 2011], reflecting the persistent challenge in extrapolating from local-scale GPP observations to global-scale earth system models. This poor understanding of GPP at large spatial scales is of particular concern in tropical forests. In tropical forests, some earth systems models forecast a powerful feedback between a warming climate and a decline in GPP resulting in forest dieback. While this simulated feedback is intensely debated, we lack robust large-scale constraints on GPP that are needed to resolve this debate. In particular, carbon dioxide measurements provide valuable information on net carbon flux, but not on the gross flux associated with GPP. Here we conducted a study of regional-to-global scale GPP using atmospheric carbonyl sulfide to provide a new constraint on GPP mechanisms in earth system models. Our project activities integrated modeling, in situ measurement, and remote sensing techniques to resolve GPP for the Amazon as well as global scale trends. The results of this work included initiating airborne carbonyl sulfide monitoring in the Amazon, training for postdocs and graduate students at a Hispanic Serving Institution, fundamental advances in carbonyl sulfide budgets [e.g. Hilton et al., Nature Climate Change, 2017], and high-profile publications that focused on GPP trends for the Amazon [Stinecipher et al., GRL, 2022] and global historical GPP trends [Campbell, et al., Nature, 2017]. Based on the suggestion of our DOE program manager, we published a state-of-the-science commentary to the scientific community on GPP monitoring with COS [Campbell et al., EOS, 2017] which was selected as the cover story. DOE support was acknowledged in all reports. The importance of this research to understanding climate change was communicated to the general public through community seminars (Rotary, Public Libraries, State Parks), an op-ed (SF Chronicle), and interviews in the mass media including two stories in the New York Times (4/5/17; 7/30/18), one of which was especially widely read after it was featured in the New York Time’s Quote of the Day.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Multi-physics Peridynamic Modeling of Damage Processes in Protective Coatings

Protective coatings can revolutionize the aerospace industry by providing a way to build a fuel-efficient and low-emission gas turbine engine operating at elevated temperature. Currently, significant challenges persist in the multi-physics modeling of damage processes in protective coatings exposed to the hot corrosive environment of gas turbine engine. Examples of such detrimental processes include an interface damage between different material layers forming protective coating, a formation of the through-the-thickness vertical cracks, a diffusion of oxygen and moisture through those cracks, an oxidation, and a delamination. In this paper, a feasibility of a multi-physics peridynamic model to provide insight to these detrimental processes has been demonstrated. 3-Dimensional peridynamic equations which are valid everywhere, including dynamically evolving discontinuities, have been presented. In conclusion, validation and demonstration have been shown for conduction heat transfer, reactive oxidation, and delamination of protective coating with a composition borrowed from the open literature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Model-observation discrepancies in Arctic moisture intrusions: causes and pathways for improved simulation

Arctic moisture intrusions (MIs), narrow filaments of strong moisture transport, are key drivers of poleward moisture flux and Arctic weather extremes, yet their representation in climate models is poorly understood. Using a new Arctic MI detection algorithm, we document persistent biases across three CMIP generations (CMIP3–CMIP6): models overestimate MI occurrence over the Pacific sector and underestimate it over the Atlantic sector. These errors stem from misrepresented midlatitude westerly jets, with an equatorward North Atlantic jet associated with too few Atlantic MIs, and a poleward, weakened North Pacific jet linked to too many Pacific MIs. Experiments that correct sea surface temperature and sea ice concentration biases and increase atmospheric resolution improve jet structure and MI statistics, while a cloud-locking simulation indicates that better high-frequency cloud–radiation–circulation interactions can yield further gains. Our results clarify pathways to reducing long-standing MI and jet biases, providing guidance for improving simulations of Arctic and midlatitude climate.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1981

Climatology of blocking in the GLAS climate model

The GLAS model's ability to simulate the occurrence of persistent anomalies to be referred to as blocking was examined. The GLAS climate model was integrated with a variety of initial and boundary conditions. Results of winter and summer simulation by the GLAS climate model are discussed. The model shows success in simulating the storm tracks.

Shukla, J.↗
DOE OSTI2024

Harnessing Machine Learning and Data Fusion for Accurate Undocumented Well Identification in Satellite Images

This study utilizes satellite data to detect undocumented oil and gas wells, which pose significant environmental concerns, including greenhouse gas emissions. Three key findings emerge from the study. Firstly, the problem of imbalanced data is addressed by recommending oversampling techniques like Rotation–GaussianBlur–Solarization data augmentation (RGS), the Synthetic Minority Over-Sampling Technique (SMOTE), or ADASYN (an extension of SMOTE) over undersampling techniques. The performance of borderline SMOTE is less effective than that of the rest of the oversampling techniques, as its performance relies heavily on the quality and distribution of data near the decision boundary. Secondly, incorporating pre-trained models trained on large-scale datasets enhances the models’ generalization ability, with models trained on one county’s dataset demonstrating high overall accuracy, recall, and F1 scores that can be extended to other areas. This transferability of models allows for wider application. Lastly, including persistent homology (PH) as an additional input improves performance for in-distribution testing but may affect the model’s generalization for out-of-distribution testing. A careful consideration of PH’s impact on overall performance and generalizability is recommended. Overall, this study provides a robust approach to identifying undocumented oil and gas wells, contributing to the acceleration of a net-zero economy and supporting environmental sustainability efforts.

SMOTE↗
DOE OSTI2022

Microbe-iron interactions control lignin decomposition in soil

Lignin decomposition is critically linked to terrestrial carbon (C) cycle due to the enormous C mass of lignin and its importance in controlling overall rates of litter decomposition. Interactions between lignin and iron (Fe) minerals have been increasingly recognized as key mediators of lignin decomposition in experimental studies. However, we still lack a quantitative understanding of how Fe minerals interact with microbes to control lignin decomposition. Here, we leveraged experimental results from an incubation of Fe-rich soil, in which lignin decomposition rates were measured at aerobic conditions after four levels of pre-treated O2 availability, to examine microbe-Fe (MiFe) interactions in lignin decomposition with a MiFe model. We quantified how Fe redox cycling interacted with microbial activities to control lignin decomposition via data-model integration. Our results showed that the MiFe model with time-dependent growth and mortality functions better represented CO2 release from lignin decomposition (R2 ranging from 0.96 to 0.97) than models assuming either first-order or Michaelis-Menten kinetics. Reduction of Fe(III) to Fe(II) after pre-treatments with lower O2 availability stimu-lated the Fenton reaction to break down macro-molecular lignin into small molecules available to microbes. The small molecules of lignin and necromass bounded with oxidized Fe and were protected from decomposition. After 1-year incubation, the model implied that most of C stabilized with Fe minerals was derived from small molecular lignin C. Our quantitative analysis of microbe-Fe interactions sheds new light on lignin decomposition and preservation and helps improve model prediction of soil C persistence under global change.

Liao, Cuijuan↗
DOE OSTI2020

Many-Body Dynamical Localization in a Kicked Lieb-Liniger Gas

The kicked rotor system is a textbook example of how classical and quantum dynamics can drastically differ. The energy of a classical particle confined to a ring and kicked periodically will increase linearly in time whereas in the quantum version the energy saturates after a finite number of kicks. The quantum system undergoes Anderson localization in angular-momentum space. Conventional wisdom says that in a many-particle system with short-range interactions the localization will be destroyed due to the coupling of widely separated momentum states. Here we provide evidence that for an interacting one-dimensional Bose gas, the Lieb-Liniger model, the dynamical localization can persist at least for an unexpectedly long time.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Persistent optical phenomena in oxide semiconductors

The interaction of transparent oxide semiconductors with light is critically important for a range of applications. Persistent effects could be exploited for holographic memory or optically defined circuits. Conversely, they may also be detrimental to device operation. Large, room-temperature persistent photoconductivity (PPC) was discovered in strontium titanate (SrTiO 3 , STO) after annealing in a hydrogen-containing atmosphere. Barium titanate (BaTiO 3 , BTO), a ferroelectric material, was recently found to also exhibit PPC. Room-temperature photodarkening was observed in Cu-doped gallium oxide (β-Ga 2 O 3 ) after exposure to sub-bandgap light. Hydrogen is believed to play a central role in these persistent phenomena. In the proposed model, a photon excites substitutional hydrogen (a proton inside an oxygen vacancy), making the defect unstable. The proton leaves and binds to a host oxygen atom, forming an O-H bond that is observed with infrared spectroscopy. Here, an oxygen vacancy is left behind. Because oxygen vacancies in STO and BTO are shallow donors, this process results in PPC. In β-Ga 2 O 3 :Cu, however, the oxygen vacancy neighbors a Cu acceptor. In that case, photoexcitation results in the rare Cu 3+ state, which absorbs visible light. The effect can be “erased” by annealing at 300-400°C.

Annealing↗
DOE OSTI2022

Temperatures of Anvil Clouds and Radiative Tropopause in a Wide Array of Cloud-Resolving Simulations

Here, we present 123 cloud-resolving simulations to study how temperatures of anvil clouds and radiative tropopause (RT) change with surface warming. Our simulation results show that the RT warms at approximately the same rate as anvil clouds. This relationship persists across a variety of modeling choices, including surface temperature, greenhouse gas concentration, and the representation of radiative transfer. We further show that the shifting ozone profile associated with climate warming may give rise to a fixed RT temperature as well as a fixed anvil temperature. This result points to the importance of faithful treatment of ozone in simulating clouds and climate change; the robust anvil–RT relationship may also provide alternative ways to understand what controls anvil temperature.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2003

New Total Ozone Algorithm for Application to the Total Ozone Mapping Spectrometer

The Total Ozone Mapping Spectrometer (TOMS) series comprises four instruments providing a total of 25 years of daily global stratospheric ozone data over the sunlit portion of the Earth. A new retrieval algorithm has been developed for TOMS, designated Version 8. The algorithm is based on differential absorption across a pair of wavelength channels chosen close together to minimize the impact of wavelength dependent forward modeling errors. Version 8 enhancements include correction for the presence of tropospheric aerosols and sun glint from water surfaces, a better treatment of variability due to tropospheric ozone and temperature dependence, and an improved forward model, particularly in regions of persistent snow and ice. Among other things, the Version 8 enhancements have reduced latitudinal dependence seen previously in TOMS - Dobson comparisons, predominantly in the Southern Hemisphere's summer, when the tropospheric ozone, temperature, and snow/ice corrections are additive. The basic components of the algorithm and its impact on derived total ozone will be discussed.

Wellemeyer, C.↗
NASA NTRS2013

Systems and Methods for Peak-Seeking Control

A computerized system and method for peak-seeking-control that uses a unique Kalman filter design to optimize a control loop, in real time, to either maximize or minimize a performance function of a physical object ("plant"). The system and method achieves more accurate and efficient peak-seeking-control by using a time-varying Kalman filter to estimate both the performance function gradient (slope) and Hessian (curvature) based on direct position measurements of the plant, and does not rely upon modeling the plant response to persistent excitation. The system and method can be naturally applied in various applications in which plant performance functions have multiple independent parameters, and it does not depend upon frequency separation to distinguish between system dimensions.

Ryan, John J↗
NASA NTRS2016

Arctic Cut-Off High Drives the Poleward Shift of a New Greenland Melting Record

Large-scale atmospheric circulation controls the mass and energy balance of the Greenland ice sheet through its impact on radiative budget, runoff and accumulation. Here, using reanalysis data and the outputs of a regional climate model, we show that the persistence of an exceptional atmospheric ridge, centered over the Arctic Ocean, was responsible for a poleward shift of runoff, albedo and surface temperature records over the Greenland during the summer of 2015. New records of monthly mean zonal winds at 500 hPa and of the maximum latitude of ridge peaks of the 5,700+/-50 m isohypse over the Arctic were associated with the formation and persistency of a cutoff high. The unprecedented (1948-2015) and sustained atmospheric conditions promoted enhanced runoff, increased the surface temperatures and decreased the albedo in northern Greenland, while inhibiting melting in the south, where new melting records were set over the past decade. Subject terms: Earth sciences Atmospheric science Climate science

drainage↗
NASA NTRS2020

Asymmetric Surface Brightness Structure of Caustic Crossing Arc in SDSS J1226+2152: A Case for Dark Matter Substructure

We study the highly magnified arc SGAS J122651.3+215220 caused by a star-forming galaxy at z s = 2.93 crossing the lensing caustic cast by the galaxy cluster SDSS J1226+2152 (z l = 0.43), using Hubble Space Telescope observations. We report in the arc several asymmetric surface brightness features whose angular separations are a fraction of an arcsecond from the lensing critical curve and appear to be highly but unequally magnified image pairs of underlying compact sources, with one brightest pair having clear asymmetry consistently across four filters. One explanation of unequal magnification is microlensing by intracluster stars, which induces independent flux variations in the images of individual or groups of source stars in the lensed galaxy. For a second possibility, intracluster dark matter subhaloes invisible to telescopes effectively perturb lensing magnifications near the critical curve and give rise to persistently unequal image pairs. Our modelling suggests, at least for the most prominent identified image pair, that the microlensing hypothesis is in tension with the absence of notable asymmetry variation over a six-year baseline, while subhaloes of ∼10 6 –10 8 \Mꙩ anticipated from structure formation with cold dark matter typically produce stationary and sizable asymmetries. We judge that observations at additional times and more precise lens models are necessary to stringently constrain temporal variability and robustly distinguish between the two explanations. The arc under this study is a scheduled target of a Director’s Discretionary Early Release Science program of the James Webb Space Telescope, which will provide deep images and a high-resolution view with integral field spectroscopy.

Liang Dai↗
NASA NTRS1989

Evolutionary models of the rotating sun

A new rotating stellar evolution code is developed and applied to the sun. A hydrostatic fully convective premain-sequence model is evolved to the age of the sun. As the model evolves, it accounts for angular-momentum loss via a magnetic wind and angular-momentum redistribution by rotationally induced instabilities. The resulting models have an oblateness in agreement with observed upper limits. The rotation curves show two main features: the outer layers exhibit minimal radial differential rotation, and a rapidly rotating central core is preserved. These basic features persist through a wide range of model parameters.

Pinsonneault, M. H.↗
NASA NTRS1987

On producing an alloy of uniform composition during rapid solidification processing

The fundamental mechanisms responsible for both micro scale and macro scale compositional variations during cellular and dendritic solidification are discussed. It is shown that presently available models for cellular and dendritic growth in alloys predict only the elimination of macrosegregation during rapid solidification but that microsegregation still persists even in this regime. A simple model is proposed here to describe the complete elimination of microsegregation in the rapid solidification regime. A solid of ideally uniform composition can be produced with no micro or macro segregation at both very low large solidifation rates.

Laxmanan, V.↗