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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Multiphase flow simulations of a moving fluidized bed regenerator in a carbon capture unit

To accelerate the commercialization and deployment of carbon capture technologies, computational fluid dynamics (CFD)-based tools may be used to model and analyze the performance of carbon capture devices. This work presents multiphase CFD-based flow simulations for the regeneration device responsible for extracting CO 2 from CO 2 -loaded sorbent particles before the particles are recycled. The use of solid particle sorbents in this design is a departure from previously reported systems, where aqueous sorbents are employed. Another new feature is the inclusion of a series of perforated plates along the regenerator height. The influence of these plates on sorbent distribution is examined for varying sorbent holdup, fluidizing gas velocity, and particle size. The residence time distribution of sorbents is also measured to classify the low regime as plug flow or well-mixed flow. The purpose of this work is to better understand the sorbent flow characteristics before reaction kinetics of CO 2 desorption can be implemented.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Towards replacing physical testing of granular materials with a Topology-based Model

In the study of packed granular materials, the performance of a sample (e.g., the detonation of a high-energy explosive) often correlates to measurements of a fluid flowing through it. The “effective surface area,” the surface area accessible to the airflow, is typically measured using a permeametry apparatus that relates the flow conductance to the permeable surface area via the Carman-Kozeny equation. This equation allows calculating the flow rate of a fluid flowing through the granules packed in the sample for a given pressure drop. However, Carman-Kozeny makes inherent assumptions about tunnel shapes and flow paths that may not accurately hold in situations where the particles possess a wide distribution in shapes, sizes, and aspect ratios, as is true with many powdered systems of technological and commercial interest. To address this challenge, we replicate these measurements virtually on micro-CT images of the powdered material, introducing a new Pore Network Model based on the skeleton of the Morse-Smale complex. Pores are identified as basins of the complex, their incidence encodes adjacency, and the conductivity of the capillary between them is computed from the cross-section at their interface. We build and solve a resistive network to compute an approximate laminar fluid flow through the pore structure. Here, we provide two means of estimating flow-permeable surface area: (i) by direct computation of conductivity, and (ii) by identifying dead-ends in the flow coupled with isosurface extraction and the application of the Carman-Kozeny equation, with the aim of establishing consistency over a range of particle shapes, sizes, porosity levels, and void distribution patterns.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Improvement of Aerosol Optical Depth Retrieval from MODIS Spectral Reflectance over the Global Ocean Using New Aerosol Models Archived from AERONET Inversion Data and Tri-axial Ellipsoidal Dust Database

New over-ocean aerosol models are developed by integrating the inversion data from the Aerosol Robotic Network (AERONET) sun/sky radiometers with a database for the optical properties of tri-axial ellipsoid particles. The new aerosol models allow more accurate retrieval of aerosol optical depth (AOD) from the Moderate Resolution Imaging Spectroradiometer (MODIS) in the case of high AOD (AOD greater than 0.3). The aerosol models are categorized by using the fine-mode fraction (FMF) at 550 nm and the singlescattering albedo (SSA) at 440 nm from the AERONET inversion data to include a variety of aerosol types found around the globe. For each aerosol model, the changes in the aerosol optical properties (AOPs) as functions of AOD are considered to better represent aerosol characteristics. Comparisons of AODs between AERONET and MODIS for the period from 2003 to 2010 show that the use of the new aerosol models enhances the AOD accuracy with a Pearson coefficient of 0.93 and a regression slope of 0.99 compared to 0.92 and 0.85 calculated using the MODIS Collection 5 data. Moreover, the percentage of data within an expected error of +/-(0.03 + 0.05xAOD) is increased from 62 percent to 64 percent for overall data and from 39 percent to 51 percent for AOD greater than 0.3. Errors in the retrieved AOD are further characterized with respect to the Angstrom exponent (AE), scattering angle, SSA, and air mass factor (AMF). Due to more realistic AOPs assumptions, the new algorithm generally reduces systematic errors in the retrieved AODs compared with the current operational algorithm. In particular, the underestimation of fine-dominated AOD and the scattering angle dependence of dust-dominated AOD are significantly mitigated as results of the new algorithm's improved treatment of aerosol size distribution and dust particle nonsphericity.

aerosol optical depth↗
NASA NTRS1993

Micrometeoroids and debris on LDEF

Two experiments within the French Cooperative Payload (FRECOPA) and devoted to the detection of cosmic dust were flown on the Long Duration Exposure Facility (LDEF). A variety of sensors and collecting devices have made possible the study of impact processes on dedicated sensors and on materials of technological interest. Examination of hypervelocity impact features on these experiments gives valuable information on the size distribution and nature of interplanetary dust particles in low-Earth orbit (LEO), within the 0.5-300 micrometer size range. However no crater smaller than 1.5 microns has been observed, thus suggesting a cut-off in the near Earth particle distribution. Chemical investigation of craters by EDX clearly shows evidence of elements (Na, Mg, Si, S, Ca, and Fe) consistent with cosmic origin. However, remnants of orbital debris have been found in a few craters; this can be the result of particles in eccentric orbits about the Earth and of the 8 deg offset in the orientation of LDEF. Crater size distribution is compared with results from other dust experiments flown on LDEF and with current models. Possible origin and orbital evolution of micrometeoroids is discussed. Use of thin foil detectors for the chemical study of particle remnants looks promising for future experiments.

Mandeville, Jean-Claude↗
NASA NTRS2015

Using Dust from Asteroids as Regolith Microsamples

Meteorite science is rich with compositional indicators by which we classify parent bodies, but few sample groups are definitively linked with asteroid spectra. More robust links need to be forged between meteorites and their parent bodies to understand the composition, diversity and distribution. A major link can be sample analysis of the parent body material and comparison with meteorite data. Hayabusa, the first sample return mission of the Japanese Aerospace Exploration Agency (JAXA), was developed to rendezvous with and collect samples from asteroid Itokawa and return them to Earth. Thousands of sub-100 micron particles were recovered, apparently introduced during the spacecraft impact into the surface of the asteroid, linking the asteroid Itokawa to LL chondrites [1]. Upcoming missions Hayabusa 2 and OSIRIS-REx will collect more significant sample masses from asteroids. In all these cases, the samples are or will be a collection of regolith particles. Sample return to earth is not the only method for regolith particle analysis. Dust is present around all airless bodies, generated by micrometeorite impact into their airless surfaces, which in turn lofts regolith particles into a "cloud" around the body. The composition, flux, and size-frequency distribution of dust particles can provide significant insight into the geological evolution of airless bodies [2]. For example, the Cassini Cosmic Dust Analyzer (CDA) detected salts in Enceladus' icy plume material, providing evidence for a subsurface ocean in contact with a silicate seafloor [3]. Similar instruments have flown on the Rosetta, LADEE, and Stardust missions. Such an instrument may be of great use in obtaining the elemental, isotopic and mineralogical composition measurement of dust particles originating from asteroids without returning the samples to terrestrial laboratories. We investigated the ability of a limited sample analysis capability using a dust instrument to forge links between asteroid regolith particles and known meteorite groups. We further set limits on the number of individual particles statistically needed to robustly reproduce a bulk composition.

microsamples↗
DOE OSTI2023

Composite Lithium Metal Structure to Mitigate Pulverization and Enable Long‐Life Batteries

In lithium metal batteries, non‐uniform stripping of lithium results in pit formation, which promotes subsequent non‐uniform, dendritic deposition. This viscous cycle leads to pulverization of lithium which promotes cell shorting or capacity degradation, symptoms further exaggerated by high electrode areal loading and lean electrolytes. Here, to address this challenge, a composite lithium metal anode is engineered that contains uniformly distributed, nanometer‐sized carbon particles. This composite lithium is shown to strip more uniformly since the growth of non‐uniform pits is intercepted by the carbon particles. This mechanism is corroborated by a continuum electrochemical model. Subsequent lithium deposition on carbon particles is also found to be more uniform than on the surface with irregular pits. Notably, the pulverization rate of composite lithium is 26 times slower than that of commercial lithium. Moreover, in a Li‐S battery with sulfurized polyacrylonitrile cathode, the use of the composite anode extends the cycle life by three times when the areal capacity is 8 mAh cm −2 . The approach of using an engineered lithium composite structure to address challenges during both stripping and plating can inform future designs of lithium metal anodes for high areal capacity operations.

high areal capacity↗
DOE OSTI2016

Processing and consolidation of copper/tungsten

Here, we developed a copper/tungsten (Cu/W) composite for mesoscale Materials Science applications using the novel High-Energy Diffraction Microscopy (HEDM) technique. Argon-atomized copper powder was selected as the starting raw powder and screened to remove the extremely large particle fraction. Tungsten particles were collected by milling and screening the -325 mesh tungsten powder between 500 and 635 mesh sieves. Hot pressing of screened Cu powder was performed at 900 °C in Ar/4 %H 2 atmosphere. XRD and ICP results show that the hot-pressed Cu sample consists of about 5 vol% Cu 2 O, which is caused by the presence of oxygen on the surface of the starting Cu powder. Hot pressing the copper powder in a pure hydrogen atmosphere was successful in removing most of the surface oxygen. Our process was also implemented for hot pressing the Cu/W composite. The density of the Cu/W composites hot pressed at 950 °C in pure hydrogen was about 94 % of the theoretical density (TD). The hot-pressed Cu/W composites were further hot isostatic pressed at 1050 °C in argon atmosphere, which results in 99.6 % of the TD with the designed Cu grain size and W particle distribution. Tensile specimens with D-notch were machined using the wire EDM method. Furthermore, the processing and consolidation of these materials will be discussed in detail. The HEDM images are also showed and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Uncertainty quantification and optimization of precipitating hydrometeor parameters for winter precipitation in a cloud microphysics scheme

The precipitating hydrometeor parameters used in cloud microphysics schemes carry inherent uncertainties. The quantification of these uncertainties, together with parameter optimization, can significantly improve precipitation forecasts. This study investigates the effects of 13 parameters in the Weather Research and Forecasting (WRF) Double-Moment 6-class (WDM6) microphysics scheme, which define the hydrometeor characteristics such as fall velocity–diameter and mass–diameter relationships, as well as the shape parameter of the drop size distribution for precipitating particles such as rain, snow, and graupel on simulated winter precipitation. A comparison between the model's pre-defined parameters and observations from the International Collaborative Experiments for the PyeongChang 2018 Olympic and Paralympic winter games (ICE-POP 2018) field campaign reveals that the fall velocity–diameter relationship for rain, the mass–diameter relationships for snow and graupel, and the shape parameters for all precipitating particles in the WDM6 scheme deviate from the median values observed by the two-dimensional video disdrometer (2DVD). To quantify parameter sensitivities, a perturbed parameter ensemble (PPE) of 256 simulations was conducted within parameter ranges constrained by 2DVD observations for three winter precipitation cases. Bayesian optimization was then applied to identify parameter sets that minimized the root mean square error (RMSE) for each case, achieving reductions of up to 30.2 %. These results demonstrate that ensemble-based uncertainty quantification and parameter optimization can help identify key parameters and provide a pathway to improving precipitation simulation performance. In addition, measurement sites can be strategically selected based on regions that show high sensitivity to variations in hydrometeor characteristic parameters.

Bayesian optimization↗
DOE OSTI2021

Micrometer-sized Magnetite Synthesis using Fe(OH)2(s) as a Precursor for Technetium Sequestration from Liquid Nuclear Waste Streams

Systematic batch experiments under variable adjusted physicochemical conditions were conducted to explore optimization of micrometer-sized magnetite synthesis for Tc sequestration from radionuclide waste streams using Fe(OH)2(s) as the precursor. Extensive solid characterization using x-ray diffraction and spectroscopic methods was performed to assess changes in particle morphology and size distribution, as well as Tc speciation and incorporation, in the produced mineral phases. The results show that the solution pH, temperature, and oxidation kinetics play key roles in the final mineral products. Micrometer-sized magnetite crystals (0.62-0.96 µm on average) with well-defined dodecahedral or octahedral structures were synthesized under near neutral (~pH 8) or alkaline (~pH13) conditions at 75 °C, respectively; whereas goethite dominated the end products at room temperature. An increase in pH at 75 °C improved Tc removal from 27% (near neutral pH) to 42% (alkaline pH), but the removal process remained inhibited by redox competitive Cr(VI) present in the waste streams. By adding additional Fe(II) to the system, Tc sequestration was dramatically improved to up to 87% without observable changes in the solid product. The sequestrated Tc existed as TcO2·2H2O and/or Tc(IV) incorporated into magnetite, where extended X-ray absorption fine structure (EXAFS) spectroscopy showed that more Tc was incorporated into magnetite at elevated temperatures and pH conditions, with complete Tc(IV) incorporation into magnetite occurring under 75 °C-pH 13 conditions. Our results indicate that optimal micrometer-sized magnetite can be produced for Tc sequestration by reacting Fe(OH)2(s) with a waste stream simulant under elevated pH (~13) and temperature (75 °C) conditions. The incorporation of reduced Tc(IV) into stable micrometer-sized magnetite provides a viable supplemental immobilizing technology that may be used to improve nuclear waste treatment and disposal needs.

Wang, Guohui↗
DOE OSTI2024

In Situ Monitoring the Nucleation and Growth of Nanoscale CaCO 3 at the Oil–Water Interface

Interfaces can actively control the nucleation kinetics, orientations, and polymorphs of calcium carbonate (CaCO 3 ). Prior studies have revealed that CaCO 3 formation can be affected by the interplay between chemical functional moieties on solid–liquid or air–liquid interfaces as well as CaCO 3 ’s precursors and facets. Yet little is known about the roles of a liquid–liquid interface, specifically an oil–liquid interface, in directing CaCO 3 mineralization which are common in natural and engineered systems. Here, in this study, by using in situ X-ray scattering techniques to locate a meniscus formed between water and a representative oil, isooctane, we successfully monitored CaCO 3 formation at the pliable isooctane–water interface and systematically investigated the pivotal roles of the interface in the formation of CaCO 3 (i.e., particle size, its spatial distribution with respect to the interface, and its mineral phase). Different from bulk solution, ∼5 nm CaCO 3 nanoparticles form at the isooctane–water interface. They stably exist for a long time (36 h), which can result from interface-stabilized dehydrated prenucleation clusters of CaCO 3 . There is a clear tendency for enhanced amounts and faster crystallization of CaCO 3 at locations closer to isooctane, which is attributed to a higher pH and an easier dehydration environment created by the interface and oil. Our study provides insights into CaCO 3 nucleation at an oil–water interface, which can deepen our understanding of pliable interfaces interacting with CaCO 3 and benefit mineral scaling control during energy-related subsurface operation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Organic-Acid-Assisted Fabrication of Low-Cost Li-Rich Cathode Material (Li[Li1/6Fe1/6Ni1/6Mn1/2]O-2) for Lithium-Ion Battery

A novel Li-rich cathode Li[Li1/6Fe1/6Ni1/6Mn1/2]O-2 (0.4Li(2)MnO(3-)0.6LiFe(1/3)Ni(1/3)Mn(1/3)O(2)) was synthesized by a solgel method, which uses citric acid (SC), tartaric acid (ST), or adipic acid (SA) as a chelating agent. The structural, morphological, and electrochemical properties of the prepared samples were characterized by various methods. X-ray diffraction showed that single-phase materials are formed mainly with typical alpha-NaFeO2 layered structure (R3 m), and the SC sample has the lowest Li/Ni cation disorder. The morphological study indicated homogeneous primary particles in good distribution size (100 nm) with small aggregates. The Fe, Ni, and Mn valences were determined by X-ray absorption near-edge structure analysis. In coin cell tests, the initial reversible discharge capacity of an SA electrode was 289.7 mAh g(-1) at the 0.1C rate in the 1.54.8 V voltage range, while an SC electrode showed a better cycling stability with relatively high capacity retention. At the 2C rate, the SC electrode can deliver a discharge capacity of 150 mAh g(-1) after 50 cycles. Differential capacity vs voltage curves were employed to further investigate the electrochemical reactions and the structural change process during cycling. This low-cost, Fe-based compound prepared by the solgel method has the potential to be used as the high capacity cathode material for Liion batteries.

cathode↗
DOE OSTI2023

Measurements of aerosol microphysical and chemical properties in the central Arctic atmosphere during MOSAiC

The Arctic environment is transforming rapidly due to climate change. Aerosols’ abundance and physicochemical characteristics play a crucial, yet uncertain, role in these changes due to their influence on the surface energy budget through direct interaction with solar radiation and indirectly via cloud formation. Importantly, Arctic aerosol properties are also changing in response to climate change. Despite their importance, year-round measurements of their characteristics are sparse in the Arctic and often confined to lower latitudes at Arctic land-based stations and/or short high-latitude summertime campaigns. Here, we present unique aerosol microphysics and chemical composition datasets collected during the year-long Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition, in the central Arctic. These datasets, which include aerosol particle number concentrations, size distributions, cloud condensation nuclei concentrations, fluorescent aerosol concentrations and properties, and aerosol bulk chemical composition (black carbon, sulfate, nitrate, ammonium, chloride, and organics) will serve to improve our understanding of high-Arctic aerosol processes, with relevance towards improved modelling of the future Arctic (and global) climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Ab initio thermodynamics reveals the nanocomposite structure of ferrihydrite

Ferrihydrite is a poorly crystalline iron oxyhydroxide nanomineral that serves a critical role as the most bioavailable form of ferric iron for living systems. However, its atomic structure and composition remain unclear due in part to ambiguities in interpretation of X-ray scattering results. Prevailing models so far have not considered the prospect that at the level of individual nanoparticles multiple X-ray indistinguishable phases could coexist. Using ab initio thermodynamics we show that ferrihydrite is likely a nanocomposite of distinct structure types whose distribution depends on particle size, temperature, and hydration. Nanoparticles of two contrasting single-phase ferrihydrite models of Michel and Manceau are here shown to be thermodynamically equivalent across a wide range of temperature and pressure conditions despite differences in their structural water content. Higher temperature and water pressure favor the formation of the former, while lower temperature and water pressure favor the latter. For aqueous suspensions at ambient conditions, their coexistence is maximal for particle sizes up to 12 nm. The predictions inform and help resolve different observations in various experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Multi-photon UV photolysis of gaseous polycyclic aromatic hydrocarbons: Extinction spectra and dynamics

The extinction spectra of static naphthalene and static biphenylene vapor, each buffered with a noble gas at room temperature, were measured as a function of time in the region between 390 and 850 nm after UV multi-photon laser photolysis at 308 nm. Employing incoherent broadband cavity enhanced absorption spectroscopy (IBBCEAS), the spectra were found to be unstructured with a general lack of isolated features suggesting that the extinction was not solely based on absorption but was in fact dominated by scattering from particles formed in the photolysis of the respective polycyclic aromatic hydrocarbon. Following UV multi-photon photolysis, the extinction dynamics of the static (unstirred) closed gas-phase system exhibits extraordinary quasi-periodic and complex oscillations with periods ranging from seconds to many minutes, persisting for up to several hours. Depending on buffer gas type and pressure, several types of dynamical responses could be generated (classified as types I, II, and III). They were studied as a function of temperature and chamber volume for different experimental conditions and possible explanations for the oscillations are discussed. A conclusive model for the observed phenomena has not been established. However, a number of key hypotheses have made based on the measurements in this publication: (a) Following the multi-photon UV photolysis of naphthalene (or biphenylene), particles are formed on a timescale not observable using IBBCEAS. (b) The observed temporal behavior cannot be described on basis of a chemical reaction scheme alone. (c) The pressure dependence of the system's responses is due to transport phenomena of particles in the chamber. (d) The size distribution and the refractive indices of particles are time dependent and evolve on a timescale of minutes to hours. The rate of particle coagulation, involving coalescent growth and particle agglomeration, affects the observed oscillations. (e) The walls of the chamber act as a sink. The wall conditions (which could not be quantitatively characterized) have a profound influence on the dynamics of the system and on its slow return to an equilibrium state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Rapid synthesis of monodispersed highly porous spinel nickel cobaltite (NiCo{sub 2}O{sub 4}) electrode material for supercapacitors

Monodispersed highly porous spinel nickel cobaltite electrode material was successfully synthesized in a short time using combustion technique. Single phase cubic nature of the spinel nickel cobaltite with average crystallite size of 24 nm was determined from X-ray diffraction study. Functional groups present in the compound were determined from FTIR study and it further confirms the spinel formation. FESEM images reveal the porous nature of the prepared material and uniform size distribution of the particles. Electrochemical evaluation was performed using Cyclic Voltammetry (CV) technique, Chronopotentiometry (CP) and Electrochemical Impedance Spectroscopy (EIS). Results reveal the typical pseudocapacitive behaviour of the material. Maximum capacitance of 754 F/g was calculated at the scan rate of 5 mV/s, high capacitance was due to the unique porous morphology of the electrode. Nyquist plot depicts the low resistance and good electrical conductivity of nickel cobaltite. It has been found that nickel cobaltite prepared by this typical method will be a potential electrode material for supercapcitor application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

SATURN’S G AND D RINGS PROVIDE NEARLY COMPLETE MEASURED SCATTERING PHASE FUNCTIONS OF NEARBY DEBRIS DISKS

The appearance of debris disks around distant stars depends upon the scattering/phase function (SPF) of the material in the disk. However, characterizing the SPFs of these extrasolar debris disks is challenging because only a limited range of scattering angles are visible to Earth-based observers. By contrast, Saturn’s tenuous rings can be observed over a much broader range of geometries, so their SPFs can be much better constrained. Since these rings are composed of small particles released from the surfaces of larger bodies, they are reasonable analogs to debris disks and so their SPFs can provide insights into the plausible scattering properties of debris disks. This work examines two of Saturn’s dusty rings: the G ring (at 167,500 km from Saturn’s center) and the D68 ringlet (at 67,600 km). Using data from the cameras on board the Cassini spacecraft, we are able to estimate the rings’ brightnesses at scattering angles ranging from 170° to 0.°5. We find that both of the rings exhibit extremely strong forward-scattering peaks, but for scattering angles above 60° their brightnesses are nearly constant. These SPFs can be well approximated by a linear combination of three Henyey–Greenstein functions, and are roughly consistent with the SPFs of irregular particles from laboratory measurements. Comparing these data to Fraunhofer and Mie models highlights several challenges involved in extracting information about particle compositions and size distributions from SPFs alone. The SPFs of these rings also indicate that the degree of forward scattering in debris disks may be greatly underestimated.

79 ASTRONOMY AND ASTROPHYSICS↗