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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Topography inversion in scanning tunneling microscopy of single-atom-thick materials from penetrating substrate states

Scanning tunneling microscopy (STM) is one of the indispensable tools to characterize surface structures, but the distinction between atomic geometry and electronic effects based on the measured tunneling current is not always straightforward. In particular, for single-atomic-thick materials (graphene or boron nitride) on metallic substrates, counterintuitive phenomena such as a larger tunneling current for insulators than for metal and a topography opposite to the atomic geometry are reported. Using first-principles density functional theory calculations combined with analytical modeling, we reveal the critical role of penetrating states of metallic substrates that surpass 2D material states, hindering the measurement of intrinsic 2D materials states and leading to topography inversion. Our finding should be instrumental in the interpretation of STM topographies of atomic-thick materials and in the development of 2D material for (opto)electronic and various quantum applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Investigating the electronic structure of high explosives with X-ray Raman spectroscopy

Abstract We investigate the sensitivity and potential of a synergistic experiment-theory X-ray Raman spectroscopy (XRS) methodology on revealing and following the static and dynamic electronic structure of high explosive molecular materials. We show that advanced ab-initio theoretical calculations accounting for the core-hole effect based on the Bethe-Salpeter Equation (BSE) approximation are critical for accurately predicting the shape and the energy position of the spectral features of C and N core-level spectra. Moreover, the incident X-ray dose typical XRS experiments require can induce, in certain unstable structures, a prominent radiation damage at room temperature. Upon developing a compatible cryostat module for enabling cryogenic temperatures ( $$\approx$$ ≈ 10 K) we suppress the radiation damage and enable the acquisition of reliable experimental spectra in excellent agreement with the theory. Overall, we demonstrate the high sensitivity of the recently available state-of-the-art X-ray Raman spectroscopy capabilities in characterizing the electronic structure of high explosives. At the same time, the high accuracy of the theoretical approach may enable reliable identification of intermediate structures upon rapid chemical decomposition during detonation. Considering the increasing availability of X-ray free-electron lasers, such a combined experiment-theory approach paves the way for time-resolved dynamic studies of high explosives under detonation conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Prediction of structure and cation ordering in an ordered normal-inverse double spinel

Abstract Spinels represent an important class of technologically relevant materials, used in diverse applications ranging from dielectrics, sensors and energy materials. While solid solutions combining two “single spinels” have been explored in a number of past studies, no ordered “double” spinels have been reported. Based on our first principles computations, here we predict the existence of such a double spinel compound MgAlGaO 4 , formed by an equimolar mixing of MgAl 2 O 4 normal and MgGa 2 O 4 inverse spinels. After studying the details of its atomic and electronic structure, we use a cluster expansion based effective Hamiltonian approach with Monte Carlo simulations to study the thermodynamic behavior and cation distribution as a function of temperature. Our simulations provide strong evidence for short-ranged cation order in the double spinel structure, even at significantly elevated temperatures. Finally, an attempt was made to synthesize the predicted double spinel compound. Energy Dispersive X-ray Spectrometry and X-ray diffraction Rietveld refinements were performed to characterize the single-phase chemical composition and local configurational environments, which showed a favorable agreement with the theoretical predictions. These findings suggest that a much larger number of compounds can potentially be realized within this chemical space, opening new avenues for the design of spinel-structured materials with tailored functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Gold-tantalum alloy films deposited by high-density-plasma magnetron sputtering

Gold-tantalum alloy films are of interest for biomedical and magnetically-assisted inertial confinement fusion applications. Here, we systematically study the effects of substrate tilt (0°–80°) and negative substrate bias (0–100 V) on properties of ≲3-μm-thick films deposited by high-power impulse magnetron sputtering (HiPIMS) from a Au–Ta alloy target (with 80 at. % of Ta). Results reveal that, for all the substrate bias values studied, an increase in substrate tilt leads to a monotonic decrease in film thickness, density, residual compressive stress, and electrical conductivity. Larger substrate bias favors the formation of a body-centered cubic phase, with films exhibiting lower column tilt and higher density, electrical conductivity, and residual compressive stress. Furthermore, these changes are attributed to metal atom ionization effects, based on the lack of correlation with distributions of landing energies and incident angles of depositing species as calculated by Monte Carlo simulations of ballistic collisions and gas phase atomic transport. By varying substrate tilt and bias in HiPIMS deposition, properties of Au–Ta alloy films can be controlled in a very wide range, including residual stress from –2 to +0.5 GPa, density from 12 to 17 g/cm 3 , and the electrical resistivity from 50 to 4500 μΩ cm, enabling optimum deposition conditions to be selected for specific applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Indexed improvements for real-time trotter evolution of a (1 + 1) field theory using NISQ quantum computers

Today's quantum computers offer the possibility of performing real-time calculations for quantum field theory scattering processes motivated by high energy physics. In order to follow the successful roadmap which has been established for the calculation of static properties at Euclidean time, it is crucial to develop new algorithmic methods to deal with the limitations of current noisy intermediate-scale quantum (NISQ) devices and to establish quantitative measures of the progress made with different devices. In this paper, we report recent progress in these directions. We show that nonlinear aspects of the trotter errors allow us to take much larger step then suggested by low-order analysis. This is crucial to reach physically relevant time scales with today's NISQ technology. We propose to use an index averaging absolute values of the difference between the accurately calculated trotter evolution of site occupations and their actual measurements on NISQ machines (G index) as a measure to compare results that have been obtained from different hardware platforms. Using the transverse Ising model in one spatial dimension with four sites we apply this metric across several hardware platforms. We study the results including readout mitigation and Richardson extrapolations and show that the mitigated measurements are very effective based on the analysis of the trotter step size modifications. Furthermore, we discuss how this advance in the trotter step size procedures can improve quantum computing physics scattering results and how this technical advance can be applied to other machines and noise mitigation methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Paramagnon heat capacity in (Ti,Zr,Hf)NiFe x NiSn half-Heusler composites

As a measure of the temperature response of the energy of matter, the heat capacity $C_p$ is a fundamental thermodynamic property. Its dependence on magnetic field, especially at low temperatures, yields insight into the electronic, phononic, and magnetic states of condensed matter. Here, we present a set of paramagnetic and ferromagnetic (Ti, Zr, Hf)NiFe x Sn half-Heusler composites that exhibit low-field (<3 T) maxima in $C_p$ and higher-field magnetic quenching of the heat capacity at temperatures below 10 K. Using rigorous statistical analysis, we attribute the effect to the existence of paramagnons within the compounds. To explain the lowest-temperature (<4 K), low-field declines in $C_p$, we derive a magnon model up to fourth order in dispersion. While the combined paramagnon and magnon model matches the data well, the fit parameters are significantly underdetermined. Further, we provide a qualitative explanation of the secondary effect based on superconducting phases within the composites. Overall, our work highlights the insight of field-dependent heat capacity studies at fixed temperatures that cannot be as easily gleaned from the temperature-dependent heat capacity at fixed magnetic fields.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-sensitivity in vivo contrast for ultra-low field magnetic resonance imaging using superparamagnetic iron oxide nanoparticles

Magnetic resonance imaging (MRI) scanners operating at ultra-low magnetic fields (ULF; <10 mT) are uniquely positioned to reduce the cost and expand the clinical accessibility of MRI. A fundamental challenge for ULF MRI is obtaining high-contrast images without compromising acquisition sensitivity to the point that scan times become clinically unacceptable. Here, we demonstrate that the high magnetization of superparamagnetic iron oxide nanoparticles (SPIONs) at ULF makes possible relaxivity- and susceptibility-based effects unachievable with conventional contrast agents (CAs). We leverage these effects to acquire high-contrast images of SPIONs in a rat model with ULF MRI using short scan times. This work overcomes a key limitation of ULF MRI by enabling in vivo imaging of biocompatible CAs. These results open a new clinical translation pathway for ULF MRI and have broader implications for disease detection with low-field portable MRI scanners.

42 ENGINEERING↗
DOE OSTI2020

Electric Vehicle Adoption in Illinois

Over 1.3 million plug-in electric vehicles (PEVs) have been sold in the United States since 2010 when the first Chevy Volt and Nissan Leaf vehicles came on the market. Currently, electric vehicles account for about 2% of monthly light-duty vehicle (LDV) sales. More than 40 different electric vehicle models are actively being marketed, and most of these are LDVs. Over the last few years, automakers have brought more models, with varying mileage ranges, to the market, including medium-duty and heavy-duty trucks and buses. Government agencies at the federal, regional, and state levels, as well as utilities across the United States, have provided financial and non-financial incentives to promote electric vehicle adoption and charging infrastructure deployment. Argonne National Laboratory, sponsored by the U.S. Department of Energy, has developed tools and collected data to quantify the energy, economic, and environmental benefits of electric vehicles. This project has three objectives. First, we summarize the policies and other actions of the federal government, various states/regions, and utilities to promote PEV adoption, and evaluate their relative effectiveness based on a review of the literature. Second, we identify possible PEV adoption paths or scenarios that would result in PEVs making up 15% of all on-road vehicles in Illinois, and we quantify the resulting impacts on petroleum consumption and electricity demand. We also summarize the possible reduction in greenhouse gas (GHG) and criteria pollutant emissions due to PEV adoption. The PEV scenarios include private and public adoption of electric cars, light trucks (e.g., sports utility vehicles [SUVs], vans, pickups), medium-duty vehicles (MDVs), and heavy-duty vehicles (HDVs). Third, we estimate hourly charging loads of light-duty PEVs in 2030 associated with these scenarios, incorporating assumptions about vehicle electric range, efficiency, and travel behavior.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Review and Analysis of Heat Transfer Correlations For Horizontal Pseudocritical CO 2 Heat Exchanger Applications

There is significant interest in the development of supercritical carbon dioxide (sCO 2 ) power cycles because of the potential for smaller and more energy efficient systems than a steam Rankine cycle. Heat exchanger designs typically use empirical correlations, but the applicability of these correlations near the CO 2 critical point is a potential issue. Though numerous correlations have been proposed in the literature, there are some disagreements when it comes to the accuracy. The current work recognizes the role of thermophysical properties, and its impacts on the heat transfer correlations and cycle efficiency. Heat transfer correlations proposed for horizontal flow inside circular pipes were analyzed with the help of numerical simulations. Steady state RANS simulations were performed using SST k-w turbulence model to evaluate the Nusselt number empirical correlations. It was found that the most of correlations (except Yoon) produced a Nusselt number that differed significantly with the one predicted numerically. Some of the correlations were developed for pure forced convection regime and as mentioned in Lin et al. do not account for mixed convection or free convection effects. Based on the limited observation, it appears that Yoon et al. predictions match well with the numerically predicted Nusselt Numbers. However, further analysis is required understand the applicability of various correlations and is contingent on accurate measurements or predictions of wall temperature profiles in the axial and the circumferential directions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Assessment of Methods to Control Invasive Reed Canarygrass (Phalaris arundinacea) in Tidal Freshwater Wetlands

Controlling non-native invasive species is a significant challenge facing natural area managers in North America and around the world. Reed canarygrass (Phalaris arundinacea), is invasive in temperate freshwater wetlands throughout the United States and Canada. While methods for the prevention or elimination of reed canarygrass are generally well established, methods suitable for the unique conditions in tidal wetlands remain poorly understood. Namely, prolonged inundation of tidal wetlands for control purposes may only be accomplished with a concomitant loss of habitat connectivity and other functions. Restoration practitioners aiming to design self-sustaining wetlands in the lower Columbia River and estuary, on the northwestern Pacific Coast, have found that reed canarygrass is widespread and quick to establish throughout the 176-river-kilometer tidal freshwater floodplain. Here we report the results of a comprehensive effort to develop the knowledge base for control in tidal wetlands, through systematic review of the scientific literature, interviews with experienced practitioners, and field observations at nine Pacific Northwest sites. The review framework incorporated practical considerations and key environmental conditions: elevation related to hydrologic regime, salinity, shade, and nutrient availability. The results support implementation of multiple methods for a minimum of five years, on the largest possible area, ideally the watershed scale. Applicable methods include control in advance of restoration, topographic modification such as scrape-downs and mounds; establishing strong native competitors; and periodic, targeted control. Formal field experiments are needed to evaluate factors that influence control. Developing science-based, effective, practicable approaches to control reed canarygrass should improve restoration outcomes in natural areas.

intertidal, invasive, Phalaris arundinacea, reed c↗
DOE OSTI2026

Persistent Elevated Soot Emissions Induced by Clustered Stochastic Preignition Events

Stochastic Preignition (SPI) is an abnormal combustion phenomenon that can occur in spark-ignition engines particularly under high-load operation. SPI is characterized by uncontrolled initiation of combustion prior to spark discharge, an abnormal combustion process that can lead to severe knock events and significant engine damage. SPI has been associated with fuel properties, lubricant composition, and engine design and operation. Here, in this work, a single-cylinder test engine with a dry-sump oil system was utilized to study the SPI response of E10 and E25 fuels with a range of Reid Vapor Pressure (RVP). An automated test procedure was employed, consisting of ten square-waved load profile segments, with each segment composed of 5 min of low-load operation followed by 25 min of sustained high-load operation. These tests were replicated across multiple days of testing including a lubricant triple flush between tests, and an online Fuel in Oil diagnostic measurement. Exhaust particulate emissions were continuously measured by an AVL microsoot sensor (MSS). Elevated particulate matter emissions were observed to occur concurrently with SPI events as blooms of soot. Particularly after clustered events (i.e., multiple SPI cycles occurring within 10 consecutive engine cycles), high soot emissions were observed to persist over several days of sequential operation despite daily lubricant changes, a complete warm-up procedure, and sustained low-load operation between test segments. This result implies that the particulate emissions trends may be dominated by deposit-based effects, where higher load operation is needed to alter deposition and formation processes. The observed soot blooms were also found to correspond to a reduction in the engine fueling and the fuel engine oil dilution rate despite the engine exhaust remaining at stoichiometric exhaust operation. These observations suggest that post-SPI events, pathways for lubricant migration and consumption into the combustion chamber may occur until these pathways are closed from deposit formation or ring dynamics during extended operation. These observed sooting propensity persisted with all fuels tests, but a linear correlation was observed between the summation of soot and particulate matter index (PMI) value for each fuel as well as SPI events, proving that PMI is a crucial fuel property for reducing SPI.

Splitter, Derek [Oak Ridge National Laboratory (OR↗
NASA NTRS1973

Apollo experience report: Reliability and quality assurance

The reliability of the Apollo spacecraft resulted from the application of proven reliability and quality techniques and from sound management, engineering, and manufacturing practices. Continual assessment of these techniques and practices was made during the program, and, when deficiencies were detected, adjustments were made and the deficiencies were effectively corrected. The most significant practices, deficiencies, adjustments, and experiences during the Apollo Program are described in this report. These experiences can be helpful in establishing an effective base on which to structure an efficient reliability and quality assurance effort for future space-flight programs.

Sperber, K. P.↗
NASA NTRS1976

Five-color photoelectric photometry of asteroid 433 Eros

Five-color (UVBGR) photoelectric light curves of Eros are presented which were obtained on nine nights during the asteroid's 1974/75 close apparition. Indications that three reversals occurred in the relative depths of the two minima between late December 1974 and late January 1975 are noted along with definite evidence of phase reddening. The maximum amplitude observed was 1.44 magnitudes, and the absolute visual magnitude at primary maximum (corrected to zero phase and to 1 AU from the earth and the sun) was about 10.8 magnitudes. Since the observations indicate that Eros has no significant rotational color variations, it is suggested that the light-curve amplitudes are due primarily to the asteroid's shape and to shadowing effects. Based on its colors relative to the sun, it is concluded that Eros appears to be an S-type asteroid.

Miner, E.↗
NASA NTRS1977

Prelaunch testing of the laser geodynamic satellite (LAGEOS)

The LAGEOS was extensively tested optically prior to launch. The measurement techniques used are described and resulting data is presented. Principal emphasis was placed on pulse spreading characteristics, range correction for center of mass tracking, and pulse distortion due to coherent effects. A mode-locked freqeuncy doubled Nd:YAG laser with a pulse width of about 60 ps was used as the ranging transmitter and a crossfield photo-multiplier was used in the receiver. High speed sampling electronics were employed to increase receiver bandwidth. LAGEOS reflected pulses typically had a width of 250 ps with a variability in the range correction of less than 2 mm rms. Pulse distortion due to coherent effects was inferred from average waveforms and appears to introduce less than + or - 50 ps jitter in the location of the pulse peak. Analytic results on this effect based on computer simulations are also presented. Theoretical and experimental data on the lidar cross section were developed in order to predict the strength of lidar echoes from the satellite. Cross section was measured using a large aperture laser collimating system to illuminate the LAGEOS. Reflected radiation far-field patterns were measured using the collimator in an autocollimating mode. Data were collected with an optical data digitzer and displayed as a three-dimensional plot of intensity versus the two far-field coordinates. Measurements were made at several wavelengths, for several types of polarizations, and as a function of satellite orientation.

Fitzmaurice, M. W.↗
NASA NTRS1978

On the nature of large auroral zone electric fields at 1-R/E/ altitude

Mechanisms that may support magnetic-field-aligned electric fields in collisionless plasma are discussed in the light of recent magnetospheric observations, which for the first time allow a quantitative test of the theoretical models. Data from barium ion releases which indicate large field-aligned potential drops and direct electric field probe measurements at high altitude which reveal electric fields of several hundred millivolts per meter are discussed. It is concluded that the large field strengths observed (1) cannot be explained by anomalous resistivity or thermoelectric effects based on wave-particle interaction, (2) are much larger than required merely to balance the local mirror forces, and (3) are compatible with electric double layers of the same nature as those observed in the laboratory.

Shawhan, S. D.↗
NASA NTRS1979

Investigation and characterization of constraint effects on flaw growth during fatigue loading of composite materials

An investigative program is presented in an attempt to add to the current understanding of constraint effects on the response of composite materials under cyclic loading. The objectives were: (1) to use existing data and to develop additional data in order to establish an understanding and quantitative description of flaw growth in unidirectional lamina under cyclic loading at different load direction to fiber direction angles; (2) to establish a similar understanding and description of flaw growth in lamina which are embedded in laminates between other unflawed lamina; (3) to determine the nature of the influence of constraint on flaw growth by quantitatively comparing the results of the tests; and (4) to develop a model and philosophy of constraints effects based on our investigative results.

Stinchcomb, W. W.↗
NASA NTRS1980

Exploratory investigation of the effects of vortex bursting on the high angle-of-attack lateral-directional stability characteristics of highly-swept wings

A recent low-speed wind-tunnel investigation of highly-swept wings has shown that vortex breakdown at high angles of attack can cause large destabilizing effects on static lateral-directional stability characteristics, and that the destabilizing effects of vortex breakdown can be greatly aggravated by model support strut interference effects. The present paper discusses these effects based on the results of static force tests of several highly-swept wing configurations for different wind-tunnel strut setup arrangements. Also included in the paper are photographs obtained during tuft-, smoke-, and helium-bubble flow visualization studies to indicate wing flow behavior patterns

Johnson, J. L., Jr.↗