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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Modeling Rate Dependent Volume Change in Porous Electrodes in Lithium-Ion Batteries

Automotive manufacturers are working to improve individual cell, module, and overall pack design by increasing the performance, range, and durability, while reducing cost. One key piece to consider during the design process is the active material volume change, its linkage to the particle, electrode, and cell level volume changes, and the interplay with structural components in the rechargeable energy storage system. As the time from initial design to manufacture of electric vehicles decreases, design work needs to move to the virtual domain; therefore, a need for coupled electrochemical-mechanical models that take into account the active material volume change and the rate dependence of this volume change need to be considered. In this study, we illustrated the applicability of a coupled electrochemical-mechanical battery model considering multiple representative particles to capture experimentally measured rate dependent reversible volume change at the cell level through the use of an electrochemical-mechanical battery model that couples the particle, electrode, and cell level volume changes. By employing this coupled approach, the importance of considering multiple active material particle sizes representative of the distribution is demonstrated. The non-uniformity in utilization between two different size particles as well as the significant spatial non-uniformity in the radial direction of the larger particles is the primary driver of the rate dependent characteristics of the volume change at the electrode and cell level.

Electrochemistry↗
DOE OSTI2020

Underlying event properties in pp collisions at $ \sqrt{s} $ = 13 TeV

This article reports measurements characterizing the Underlying Event (UE) associated with hard scatterings at midrapidity (|η| < 0.8) in pp collisions at √s = 13 TeV. The hard scatterings are identified by the leading particle, the charged particle with the highest transverse momentum ( p T l e a d i n g ) in the event. Charged-particle number-densities and summed transverse-momentum densities are measured in different azimuthal regions defined with respect to the leading particle direction: Toward, Transverse, and Away. The Toward and Away regions contain the fragmentation products of the hard scatterings in addition to the UE contribution, whereas particles in the Transverse region are expected to originate predominantly from the UE. The study is performed as a function of p T l e a d i n g with three different p T thresholds for the associated particles, $p^{track}_T$ > 0.15, 0.5, and 1.0 GeV/c. The charged-particle density in the Transverse region rises steeply for low values of $p^{leading}_T$ and reaches a plateau. The results confirm the trend that the charged-particle density in the Transverse region shows a stronger increase with $\sqrt{s}$ an the inclusive charged-particle density at midrapidity. The UE activity is increased by approximately 20% when going from 7 TeV to 13 TeV pp collisions. The plateau in the Transverse region (5 < $p^{leading}_T$ < 40 GeV/c) is further characterized by the probability distribution of its charged-particle multiplicity normalized to its average value (relative transverse activity, R T ) and the mean transverse momentum as a function of R T Experimental results are compared to model calculations using PYTHIA 8 and EPOS LHC. The overall agreement between models and data is within 30%. These measurements provide new insights on the interplay between hard scatterings and the associated UE in pp collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Micro-spectroscopic and freezing characterization of ice-nucleating particles collected in the marine boundary layer in the eastern North Atlantic

Abstract. Formation of atmospheric ice plays a crucial role in the microphysical evolution of mixed-phase and cirrus clouds and thus climate. How aerosol particles impact ice crystal formation by acting as ice-nucleating particles (INPs) is a subject of intense research activities. To improve understanding of atmospheric INPs, we examined daytime and nighttime particles collected during the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) field campaign conducted in summer 2017. Collected particles, representative of a remote marine environment, were investigated for their propensity to serve as INPs in the immersion freezing (IMF) and deposition ice nucleation (DIN) modes. The particle population was characterized by chemical imaging techniques such as computer-controlled scanning electron microscopy with energy-dispersive X-ray analysis (CCSEM/EDX) and scanning transmission X-ray microscopy with near-edge X-ray absorption fine-structure spectroscopy (STXM/NEXAFS). Four major particle-type classes were identified where internally mixed inorganic–organic particles make up the majority of the analyzed particles. Following ice nucleation experiments, individual INPs were identified and characterized by SEM/EDX. The identified INP types belong to the major particle-type classes consisting of fresh sea salt with organics or processed sea salt containing dust and sulfur with organics. Ice nucleation experiments show IMF events at temperatures as low as 231 K, including the subsaturated regime. DIN events were observed at lower temperatures of 210 to 231 K. IMF and DIN observations were analyzed with regard to activated INP fraction, ice-nucleation active site (INAS) densities, and a water activity-based immersion freezing model (ABIFM) yielding heterogeneous ice nucleation rate coefficients. Observed IMF and DIN events of ice formation and corresponding derived freezing rates demonstrate that the marine boundary layer aerosol particles can serve as INPs under typical mixed-phase and cirrus cloud conditions. The derived IMF and DIN parameterizations allow for implementation in cloud and climate models to evaluate predictive effects of atmospheric ice crystal formation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Active matter commensuration and frustration effects on periodic substrates

In this report we show that self-driven particles coupled to a periodic obstacle array exhibit active matter commensuration effects that are absent in the Brownian limit. As the obstacle size is varied for sufficiently large activity, a series of commensuration effects appear in which the motility induced phase separation produces commensurate crystalline states, while for other obstacle sizes we find frustrated or amorphous states. The commensuration effects are associated with peaks in the amount of sixfold ordering and the maximum cluster size. When a drift force is added to the system, the mobility contains peaks and dips similar to those found in transport studies for commensuration effects in superconducting vortices and colloidal particles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2012

Microwave Properties of Ice-Phase Hydrometeors for Radar and Radiometers: Sensitivity to Model Assumptions

A simplied framework is presented for assessing the qualitative sensitivities of computed microwave properties, satellite brightness temperatures, and radar reflectivities to assumptions concerning the physical properties of ice-phase hydrometeors. Properties considered included the shape parameter of a gamma size distribution andthe melted-equivalent mass median diameter D0, the particle density, dielectric mixing formula, and the choice of complex index of refraction for ice. We examine these properties at selected radiometer frequencies of 18.7, 36.5, 89.0, and 150.0 GHz; and radar frequencies at 2.8, 13.4, 35.6, and 94.0 GHz consistent with existing and planned remote sensing instruments. Passive and active microwave observables of ice particles arefound to be extremely sensitive to the melted-equivalent mass median diameter D0 ofthe size distribution. Similar large sensitivities are found for variations in the ice vol-ume fraction whenever the geometric mass median diameter exceeds approximately 1/8th of the wavelength. At 94 GHz the two-way path integrated attenuation is potentially large for dense compact particles. The distribution parameter mu has a relatively weak effect on any observable: less than 1-2 K in brightness temperature and up to 2.7 dB difference in the effective radar reflectivity. Reversal of the roles of ice and air in the MaxwellGarnett dielectric mixing formula leads to a signicant change in both microwave brightness temperature (10 K) and radar reflectivity (2 dB). The choice of Warren (1984) or Warren and Brandt (2008) for the complex index of refraction of ice can produce a 3%-4% change in the brightness temperature depression.

Microwave properties↗
DOE OSTI2021

Measurement report: Comparison of wintertime individual particles at ground level and above the mixed layer in urban Beijing

Beijing has been suffering from frequent severe air pollution events, with concentrations affected significantly by the mixed-layer height. Major efforts have been made to study the physico-chemical properties, compositions, and sources of aerosol particles at ground level. However, little is known about the morphology, elemental composition, and mixing state of aerosol particles above the mixed layer. In this work, we collected individual aerosol particles simultaneously at ground level (2 m above ground) and above the mixed layer in urban Beijing (within the Atmospheric Pollution and Human Health in a Chinese Megacity, APHH-Beijing, 2016 winter campaign). The particles were analyzed offline by transmission electron microscopy coupled with energy dispersive X-ray spectroscopy. Our results showed that the relative number contribution of mineral particles to all measured particles was much higher during non-haze periods (42.5 %) than haze periods (18.1 %); in contrast, internally mixed particles contributed more during haze periods (21.9 %) than non-haze periods (7.2 %) at ground level. In addition, more mineral particles were found at ground level than above the mixed-layer height. Around 20 % of individual particles showed core–shell structures during haze periods, whereas only a few core–shell particles were observed during non-haze periods (2 %). The results showed that the particles above the mixed layer were more aged, with a larger proportion of organic particles originating from coal combustion. Our results indicate that a large fraction of the airborne particles above the mixed layer come from surrounding areas influenced by coal combustion activities. This source contributes to the surface particle concentrations in Beijing when polluted air is mixed down to the ground level.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Standard and Non-Standard Neutrino Oscillations at the NOvA Experiment

Initially believed to be massless, the discovery of neutrino oscillations proved that neutrinos have masses, a feature not anticipated by the Standard Model of Elementary Particles. Investigations of the existence of the so-called physics Beyond the Standard Model is a subject of active effort in the field of particle physics. Interactions of neutrinos with matter are well described by the Standard Model, however in the presence of new physics our knowledge and ability to measure the standard neutrino oscillation parameters may be affected. Non-Standard Interactions (NSI) may arise as a subleading effect to the neutrino oscillation framework by introducing additional parameters resulting from a generalized matter potential.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

Theory of microwave remote sensing

Active and passive microwave remote sensing of earth terrains is studied. Electromagnetic wave scattering and emission from stratified media and rough surfaces are considered with particular application to the remote sensing of soil moisture. Radiative transfer theory for both the random and discrete scatterer models is examined. Vector radiative transfer equations for nonspherical particles are developed for both active and passive remote sensing. Single and multiple scattering solutions are illustrated with applications to remote sensing problems. Analytical wave theory using the Dyson and Bethe-Salpeter equations is employed to treat scattering by random media. The backscattering enhancement effects, strong permittivity fluctuation theory, and modified radiative transfer equations are addressed. The electromagnetic wave scattering from a dense distribution of discrete scatterers is studied. The effective propagation constants and backscattering coefficients are calculated and illustrated for dense media.

Tsang, L.↗
NASA NTRS1962

THE COMBINATION OF ACTIVE AND PASSIVE SHIELDING

I is conceivable that improved shielding of space vehicles against high-energy charged-particle radiation can be obtained by combining active and passive shielding. Methods of shielding calculations and some preliminary observations pertaining to active-passive shielding are given. An analysis based upon the field of a magnetic dipole indicates that weight savings in bulk shielding can be accomplished.

SPACECRAFT SHIELDING↗
NASA NTRS1993

Physical chemistry of the H2SO4/HNO3/H2O system - Implications for polar stratospheric clouds

Polar stratospheric clouds (PSCs) play a key role in stratospheric ozone depletion. Surface-catalyzed reactions on PSC particles generate chlorine compounds that photolyze readily to yield chlorine radicals, which in turn destroy ozone very efficiently. The most prevalent PSCs form at temperatures several degrees above the ice frost point and are believed to consist of HNO3 hydrates; however, their formation mechanism is unclear. Results of laboratory experiments are presented which indicate that the background stratospheric H2SO4/H2O aerosols provide an essential link in this mechanism: These liquid aerosols absorb significant amounts of HNO3 vapor, leading most likely to the crystallization of nitric acid trihydrate (NAT). The frozen particles then grow to form PSCs by condensation of additional amounts of HNO3 and H2O vapor. Furthermore, reaction probability measurements reveal that the chlorine radical precursors are formed readily at polar stratospheric temperatures not just on NAT and ice crystals, but also on liquid H2SO4 solutions and on solid H2SO4 hydrates. These results imply that the chlorine activation efficiency of the aerosol particles increases rapidly as the temperature approaches the ice frost point regardless of the phase or composition of the particles.

Molina, M. J.↗
DOE OSTI2021

New Particle Formation and Growth to Climate-Relevant Aerosols at a Background Remote Site in the Western Himalaya

New particle formation (NPF) can influence the Earth’s radiative budget when the newly formed particles grow to climate-relevant sizes. Here, we present analysis of 21-months of continuous aerosol size distribution measurements at a background remote site in the western Himalaya and provide observational evidence that newly formed particles grow to cloud condensation nuclei (CCN)-active sizes (i.e. >20-100 nm in diameter). Out of total 55 NPF events, 38 (66%) events occurred in the pre-monsoon season (March-May). NPF events were classified into those with and without pollution influence as polluted and cleaner, respectively, using black carbon data. The analysis of air mass age, based on the ratio of number concentration of Aitken to accumulation mode aerosols, indicated that NPF occurred in the relatively cleaner air masses reaching to the site. The median formation rate of 10 nm particles and particle growth rates for cleaner events were three-fold and two-fold, respectively, higher than polluted events. We present the first estimates of the survival probability of newly formed particles to 50 nm and 100 nm size, which was not attempted in an Indian environment previously. The survival probability to 50 nm particles ranged from 44 to 98%, with a mean and standard deviation of 82 ± 18%. On average, ~60% of the particles surviving to 50 nm survived to 100 nm, making the overall survival probability of 100 nm to 53 ± 31%. This indicates that the probability of nucleated particles growing to CCN-active sizes under a large source of condensing vapor (transported from nearby lower-altitude regions) and low pre-existing particle concentrations (background mountain site) is high compared to the previous studies. These findings highlight the importance of the efficiency of nucleation events for producing CCN, which is a critical basis of aerosol indirect effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

High Performance non-PGM Transition Metal Oxide ORR Catalysts of PEMFCs

This project was designed to develop acid-stable PGM-free transition metal oxide oxygen reduction reaction (ORR) electrocatalysts to meet or exceed the performance and durability of the DOE 2020 Technical Targets for platinum-group metal (PGM) free electrocatalysts from first-principles to incorporation into membrane-electrode assemblies (MEAs) for polymer electrolyte membrane (PEM) fuel cells. The planned project was to accomplish this goal with a multi-step approach: 1) materials modeling and experimental screening to identify acid-stable oxides with high ORR activity, 2) optimization of catalyst particle size and catalyst/carbon/ionomer catalyst layer composition, 3) fabrication of MEAs for performance and durability testing. During the course of this project: 1) acid-stability descriptors were developed for manganese oxides; 2) a family of acid-stable multicomponent oxides based on antimony were developed; 3) a flexible synthesis for the formation of nanocrystalline nonstoichiometric oxides was developed; 4) limited ORR activity but modest and improving oxygen evolution reaction (OER) activity was measured for multicomponent antimony oxides. The project was programmed into five technical tasks: The development of acid-stable ORR electrocatalytic oxides through 1) identification and optimization of acid-stable oxide compositions, and 2) electrochemical characterization; 3) optimization of catalyst layer composition for MEAs using identified ORR electrocatalysts; 4) MEA fabrication and performance testing to result in performance of 44 mA-cm-2 at 0.9 V vs. RHE; and 5) accelerated-stress testing of optimized MEAs. Because no acid-stable oxide was identified with the requisite activity for ORR (4.4 µA-cm-2oxide intrinsic activity at 0.9 V vs. RHE) within the time and budget allotted in Tasks 1 and 2, the project was halted at the end of phase 1, with no activity in Tasks 3-5. The research output, while not succeeding in developing ORR electrocatalysts, advanced the development of acid-stable oxide materials, showing potential for further improvement as OER electrocatalysts.

08 HYDROGEN↗
DOE OSTI2024

Trace Fe activates perovskite nickelate OER catalysts in alkaline media via redox-active surface Ni species formed during electrocatalysis

The accurate description of activity trends among perovskite-oxide oxygen-evolution-reaction (OER) catalysts using electronic-structure descriptors requires that the bulk structure of the catalyst is comparable to that of the surface. Few studies have addressed the dynamic nature of the catalyst's structure during the OER and the consequential implications for understanding activity. Here, we use a combination of electrochemical and materials-characterization techniques to study the surface reconstruction and the associated formation of a new redox-active phase on LaNiO 3 particles, LaNiO 3 epitaxial films, and an analogous Ruddlesden-Popper phase, La 2 NiO 4 . Small, but characteristic, redox features corresponding to Ni redox in nominally amorphous NiO x H y are observed during cyclic voltammetry of these initially fully crystalline materials. The size of these redox features grows with prolonged cycling and contributes to an increased surface area as determined from electrochemical impedance spectroscopy (EIS). Here we find the OER activity is strongly dependent on soluble Fe species in the electrolyte, common impurities in alkaline media. These observations are consistent with the reconstruction of the crystalline surface to form NiO x H y species and subsequent activation by adsorption of Fe forming the well-known and extremely active NiFeO x H y OER catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

mystic : software for autonomous discovery and design under uncertainty

Throughout the diverse range of science and engineering applications, there is a growing desire to develop computational methods that can reliably predict the behavior of complex systems. Specifically, there is a strategic need for tools that can robustly forecast the behavior of complex physical systems, where data may be high-dimensional, noisy, or sparse, and models of the system may be time-dependent or include uncertainty. We use mystic to build tools that leverage statistical learning, physics-informed learning, and active learning in the efficient generation of reliably predictive surrogates for complex physical systems. mystic is a robust, proven, open-source optimization and uncertainty quantification toolkit with over a decade of use in the design and optimization of neutron instrumentation, solar-powered drones, and gasguns, and in iterative tuning of models for Raman spectroscopy and elastoplastic materials strength. Recent developments have focused on automated learning of statistically robust surrogates under uncertainty, with applications in materials in extreme environments, nanostructures, materials simulations and strength models, and the failure of shielding under particle radiation. In 2020, McKerns demonstrated active learning of optimally robust surrogates with respect to new simulated data for molecular dynamics simulations of materials mixing in warm dense matter, and is currently applying active learning to the automated steering of particle accelerator beams and the optimal design and control of quantum optical sensor instrumentation.

42 ENGINEERING↗
NASA NTRS2002

Passive dosimetry aboard the Mir Orbital Station: internal measurements

Passive radiation dosimeters were exposed aboard the Mir Orbital Station over a substantial portion of the solar cycle in order to measure the change in dose and dose equivalent rates as a function of time. During solar minimum, simultaneous measurements of the radiation environment throughout the habitable volume of the Mir were made using passive dosimeters in order to investigate the effect of localized shielding on dose and dose equivalent. The passive dosimeters consisted of a combination of thermoluminescent detectors to measure absorbed dose and CR-39 PNTDs to measure the linear energy transfer (LET) spectrum from charged particles of LET infinity H2O > or = 5 keV/micrometers. Results from the two detector types were then combined to yield mean total dose rate, mean dose equivalent rate, and average quality factor. Contrary to expectations, both dose and dose equivalent rates measured during May-October 1991 near solar maximum were higher than similar measurements carried out in 1996-1997 during solar minimum. The elevated dose and dose equivalent rates measured in 1991 were probably due to a combination of intense solar activity, including a large solar particle event on 9 June 1991, and the temporary trapped radiation belt created in the slot region by the solar particle event and ensuing magnetic storm of 24 March 1991. During solar minimum, mean dose and dose equivalent rates were found to vary by factors of 1.55 and 1.37, respectively, between different locations through the interior of Mir. More heavily shielded locations tended to yield lower total dose and dose equivalent rates, but higher average quality factor than did more lightly shielding locations. However, other factors such as changes in the immediate shielding environment surrounding a given detector location, changes in the orientation of the Mir relative to its velocity vector, and changes in the altitude of the station also contributed to the variation. Proton and neutron-induced target fragment secondaries, not primary galactic cosmic rays, were found to dominate the LET spectrum above 100 keV/micrometers. This indicates that in low earth orbit, trapped protons in the South Atlantic Anomaly are responsible for the major fraction of the total dose equivalent. c2002 Elsevier Science Ltd. All rights reserved.

NASA Experiment Number 9401620↗
NASA NTRS2010

Advanced Catalysts for the Ambient Temperature Oxidation of Carbon Monoxide and Formaldehyde

The primary applications for ambient temperature carbon monoxide (CO) oxidation catalysts include emergency breathing masks and confined volume life support systems, such as those employed on the Shuttle. While Hopcalite is typically used in emergency breathing masks for terrestrial applications, in the 1970s, NASA selected a 2% platinum (Pt) on carbon for use on the Shuttle since it is more active and also more tolerant to water vapor. In the last 10-15 years there have been significant advances in ambient temperature CO oxidation catalysts. Langley Research Center developed a monolithic catalyst for ambient temperature CO oxidation operating under stoichiometric conditions for closed loop carbon dioxide (CO2) laser applications which is also advertised as having the potential to oxidize formaldehyde (HCHO) at ambient temperatures. In the last decade it has been discovered that appropriate sized nano-particles of gold are highly active for CO oxidation, even at sub-ambient temperatures, and as a result there has been a wealth of data reported in the literature relating to ambient/low temperature CO oxidation. In the shorter term missions where CO concentrations are typically controlled via ambient temperature oxidation catalysts, formaldehyde is also a contaminant of concern, and requires specially treated carbons such as Calgon Formasorb as untreated activated carbon has effectively no HCHO capacity. This paper examines the activity of some of the newer ambient temperature CO and formaldehyde (HCHO) oxidation catalysts, and measures the performance of the catalysts relative to the NASA baseline Ambient Temperature Catalytic Oxidizer (ATCO) catalyst at conditions of interest for closed loop trace contaminant control systems.

Nalette, Tim↗