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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Toward Exploring the Synergy Between Cloud Radar Polarimetry and Doppler Spectral Analysis in Deep Cold Precipitating Systems in the Arctic

The study of Arctic ice and mixed-phase clouds, which are characterized by a variety of ice particle types in the same cloudy volume, is challenging research. This study illustrates a new approach to qualitative and quantitative analysis of the complexity of ice and mixed-phase microphysical processes in Arctic deep precipitating systems using the combination of Ka-band zenith-pointing radar Doppler spectra and quasi-vertical profiles of polarimetric radar variables measured by a Ka/W-band scanning radar. The results illustrate the frequent occurrence of multimodal Doppler spectra in the dendritic/planar growth layer, where locally generated, slower-falling particle populations are well separated from faster-falling populations in terms of Doppler velocity. The slower-falling particle populations contribute to an increase of differential reflectivity (Z DR ), while an enhanced specific differential phase (K DP ) in this dendritic growth temperature range is caused by both the slower and faster-falling particle populations. Another area with frequent occurrence of multimodal Doppler spectra is in mixed-phase layers, where both populations produce Z DR and K DP values close to 0, suggesting the occurrence of a riming process. A Joint analysis of the Doppler spectra and the polarimetric radar variables provides important insight into the microphysics of snow formation and allows the separation of the contributions of ice of different habits to the values of reflectivity and Z DR .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

High‐Nickel Heterostructured Cathodes with Local Stoichiometry Control for High‐Voltage Operation

The growing demand for lithium‐ion batteries to power electric vehicles and other energy‐dense devices continues to fuel the need for cathodes of increasingly higher nickel in cathodes. The relentless pursuit of high Ni content, however, raises concerns on compromising cell lifetime and safety, especially under high‐voltage operation. Alternative to the traditional design of uniform or core–shell composition, we report a rational control of local stoichiometry in high‐Ni cathodes, enabling their high thermal and cycling stabilities—up to 258 °C at the fully charged state and 91.4% capacity retention for 100 cycles between 2.7 and 4.4 V. Multimodal synchrotron X‐ray characterization unveils the heterostructure of secondary particles, featuring a high‐Ni core (LiNi 0.90 Mn 0.05 Co 0.05 O 2 ) covered by a thin Ni‐gradient layer that remains stable over prolonged cycling due to suppressed oxygen release and structural deterioration. This work underlines, the intricate interplay between local stoichiometry and redox reactions in stabilizing high‐Ni cathodes for high‐voltage operation while ensuring safety.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Design and development of PEGylated liposomal formulation of HER2 blocker Lapatinib for enhanced anticancer activity and diminished cardiotoxicity

Highlights: • Pegylated Liposomal preparation enhances the cytotoxic potential of Lapatinib. • PEGylated liposomal formulation enhances apoptotic potential of Lapatinib on tumor cells. • PEGylated liposomal formulation diminishes cardio and hepatotoxic effect of Lapatinib. Breast cancer is most frequently diagnosed cancer and fifth leading cause of death in women. About 20–30% of all breast cancers overexpress HER2/neu receptors. Lapatinib is a dual tyrosin kinase inhibitor of EGFR and HER2. It exhibits its anticancer effect via blocking intracellular domain of HER2 receptor in breast cancer. Lapatinib belongs to class II of BSC classification due to its poor solubility restricting its clinical application. Due to presence of HER2 receptor on cardiomyocytes, it is associated with generation of cardiotoxicity. The present study was aimed to design a PEGylated liposomal formulation of Lapatinib and evaluate its anticancer potential. Lapatinib liposomes were prepared using lipid layer hydration method and its characterization was done by determining its particle size, zeta potential, entrapment efficiency and in vitro release profiling. The anti-tumor activity of PEGylated liposomal formulation was evaluated in xenografted tumor induced by MDA-MB-453 breast cancer cells in chick embryos. The anti-tumor effect of lapatinib was enhanced by its PEGylated liposomal preparation as it led to the reduction in tumor size to a greater extent compared to the embryos treated with free lapatinib. Flowcytometric analysis and immunoflurescence study using cleaved PARP antibody demonstrated the enhanced apoptotic potential of PEGylated liposomes of lapatinib. SGOT levels, marker for cardiotoxicity and hepatotoxicity, significantly decreased in serum of embryos treated with PEGylated liposomes of lapatinib compared to free drug treated embryos. Hence, the PEGylated liposomal formulation of lapatinib can be used as a therapeutic strategy against HER2 positive breast cancer either alone or in combination with conventional anticancer agents and hormonal therapies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Aerodynamic effects on outer ash deposition rates in second generation atmospheric pressure oxy-coal combustion systems

Recent measurements in scenarios representative of second generation atmospheric pressure oxy-coal combustion systems have shown a significant increase in ash deposition rates in comparison to combustion in air. However, the causative mechanisms behind this increase have not been well understood. To fill this void, well-characterized experiments including fuel and deposit particle size distributions (PSDs) were coupled with highly resolved numerical simulations to isolate the aerodynamic effects impacting the deposition process such that mechanisms could be hypothesized. Three combustion scenarios (AIR, OXY27, OXY70) spanning a factor of three variation in flue gas volumetric flow rates were simulated and the deposition characteristics (impaction rates, deposit PSD, temperature, residence times, capture rates) tracked/predicted using a customized deposition module. The measured deposit PSD was significantly different from the PSD of the parent fuel indicating significant physio-chemical transformations (coalescence and particle growth in particular) at play. The use of simplistic modeling approaches (swelling parameter variations) to model particle growth led to inaccurate deposit ash PSD and rate predictions. A more satisfactory agreement between the measurements and simulations was obtained when the functional form of the parent fuel PSD (spread parameter) was modified to conform closely to the deposit PSD while still ensuring the fidelity of temperature and velocity predictions. Based on the measured ash compositions, identical capture criteria were employed across all three scenarios. Here this study further supports the theory that the ash deposition rates in these systems are dominated by aerodynamic effects with the ash PSD playing a dominant role.

42 ENGINEERING↗
DOE OSTI2022

Silicon nanocluster anion-argon cation recombination via hybrid continuum-molecular dynamics calculations

Prediction of the charge distribution on particles in an aerosol is critical not only in electrical mobility based characterization methods, but also in understanding the role that charging plays in particle growth in gas phase synthesis reactors. The latter is particularly important in non-thermal plasma synthesis reactors, wherein nanoclusters form and grow from vapor phase precursors in a high electron and high ion density environment. In plasmas, because free electrons are much less massive and much more mobile than positive gas ions, nanocluster charge distributions are biased negative. Furthermore, neutral or even positively charged nanoclusters may exist, depending on the rate of nanocluster-gas ion recombination, and nanocluster-nanocluster collisions may greatly contribute to nanocluster growth if not Coulombically suppressed.

42 ENGINEERING↗
DOE OSTI2023

Analysis of backwash settings to maximize net water production in an engineering-scale ultrafiltration system for water reuse

Ultrafiltration (UF) has been widely utilized as water pretreatment for different applications especially in water reuse. The UF system operation is characterized by a filtration phase, where particles accumulate on the membrane surface resulting in an increase in the transmembrane pressure (TMP) and a cleaning phase, where foulants are removed through cleaning cycles including physical backwash and chemical-enhanced backwash (CEB). In this study, data from an engineering-scale UF system treating reclaimed wastewater were used to assess the impact of backwashing on the filtration process. TMP backwash trigger, backwash duration, and CEB frequency were purposely varied for a cycle-by-cycle investigation on the net water production, water recovery, initial operating TMP, and filtration cycle duration. As the TMP backwash trigger was varied between 62 and 145kPa, the maximum net water production (63 m 3 /d) was achieved at 103kPa and water recovery remained relatively constant at approximately 92%. Backwash durations of 45, 65, and 85s were performed where both net water production and water recovery yielded similar results (~63 m 3 /d and ~ 91%) compared with 103kPa TMP backwash trigger. The CEB frequency was also lowered from one every three backwashes (1/3) to 1/6 and 1/12 and resulted in decreased net water production and water recovery while the initial TMP increased. Interestingly, the total number of CEBs remained approximately constant regardless of their frequency. In conclusion, results suggest that CEB is an important fouling control process to maximize water production.

42 ENGINEERING↗
DOE OSTI2021

Molecular Iodine Interactions with Fe, Ni, Cr, and Stainless Steel Alloys

The adsorption behavior of molecular iodine is important for understanding the spread of radioiodine in a nuclear accident. Prior experiments indicate that, in addition to the interaction with Fe, molecular iodine [i.e., I 2(g) ] also interacts with the next most abundant components of austenitic stainless steel (i.e., Ni, and Cr) at room temperature. Here, we investigate iodine adsorption on Fe, Ni, and Cr while focusing on understanding the variables affecting adsorption as well as the iodine compounds that are formed during adsorption. Scanning electron microscopy and energy-dispersive X-ray spectroscopy were used to characterize the surfaces of exposed metal particles and aid in the understanding of the morphology and chemistry of iodine interactions with the substrates. Inductively coupled plasma optical emission spectroscopy was used to detect low levels of metal iodides and X-ray photoelectron spectroscopy was used to confirm the formation of the metal iodides. The role of environmental factors (e.g., humidity and oxygen content) for iodine adsorption on metal substrates is addressed. The individual metals demonstrated formation of metal iodides for Fe and Ni particles from interaction with I 2(g) . The formation of metal iodides may indicate the affinity of iodine for the respective metal. In this study, the iodine affinities ranked Fe > Ni > Cr as determined by the quantity of chemisorbed iodine. This trend is also supported by the distributions and proportions of metals in the corrosion product of the stainless steels. The exposures without oxygen and humidity indicate the potential of a multistep iodine adsorption process where iodine first attacks the oxide layer and then chemisorbs to the exposed metal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Physicochemical Heterogeneity in Silicon Anodes from Cycled Lithium-Ion Cells

The severe capacity fade of lithium-ion cells with silicon-dominant anodes has hindered their widescale commercialization. In this work, we link cell capacity fade to the heterogeneous physicochemical evolution of silicon anodes during battery cycling. Through a multi-length scale characterization approach, we demonstrate that silicon particles near the anode surface react differently than those near the copper current collector. In particular, near the anode surface we find an amorphized wispy silicon encased in a highly fluorinated matrix of electrolyte-reduction products. In contrast, closer to the current collector, the silicon retains more of its initial morphology and structure, suggesting the presence of isolated particles. Here, the results show that accessibility of active silicon to lithium-ions varies across the anode matrix. Material and cell designs, which minimize electrode expansion resulting from the in-filling of pores with the solid electrolyte interphase (SEI), are needed to enhance anode homogeneity during the electrochemical cycling.

25 ENERGY STORAGE↗
DOE OSTI2026

Application of a Chemical Index to Aerosol Mass Spectrometry: Delta Plots and Functional Group Distributions

A better understanding of the chemical properties of organic aerosol (OA) particles will improve our ability to characterize their sources and predict their lifetime. The high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA in real time using thermal vaporization followed by electron ionization (EI). EI creates fragment ions that can be assigned to functional groups using delta analysis, a method of classifying mass spectra according to the presence of different chemically related ion series. In this study, we demonstrate the application of delta analysis to characterize molecular structures using a new visualization method. We also use delta analysis to quantify the functional group distribution with an average absolute error of ∼5–6% for individual standard molecules, comparable to the error observed for OA mixtures from biomass and coal combustion fit with Fourier transform infrared spectroscopy. Finally, we apply delta functional group analysis to AMS positive matrix factorization (PMF) factors across seven different field campaigns and find a similar composition across the more oxidized factors with about 55% acid and 26% alcohol groups. The analysis method described here can be applied to any HR-ToF-AMS data set to provide quantitative relative functional group distributions for OA mixtures.

aerosol↗
DOE OSTI2022

Observation of an Orientational Glass in a Superlattice of Elliptically-Faceted CdSe Nanocrystals

Extensive prior work has shown that colloidal inorganic nanocrystals coated with organic ligand shells can behave as artificial atoms and, as such, form superlattices with different crystal structures and packing densities. Although ordered superlattices present a high degree of long-range positional order, the relative crystallographic orientation of the inorganic nanocrystals with respect to each other tends to be random. Recent works have shown that superlattices can achieve orientational alignment through combinations of nanocrystal faceting and ligand modification, as well as selective metal particle attachment to particular facets. These studies have focused on the assembly of high-symmetry nanocrystals, such as cubes and cuboctahedra. In this work, we study the assembly of elliptically faceted CdSe/CdS core/shell nanocrystals with one distinctive crystallographic orientation along the major elliptical axis. We show that the nanocrystals form an unexpectedly well-ordered translational superlattice, with a degree of order comparable to that achieved with higher-symmetry nanocrystals. Additionally, we show that, due to the particles' faceted shape, the superlattice is characterized by an orientational glass phase in which only certain orientations are possible due to entropically frustrated crystallization. In this phase, the nanocrystals do not exhibit a local orientational ordering but rather have distinct orientations that emerge at different locations within the same domain. The distinct orientations are a result of a facet-to-facet lock-in mechanism that occurs during the self-assembly process. These facet-to-facet alignments force the nanocrystals to tilt on different lattice planes forming different projections that we termed apparent polydispersity. Our experimental realization of an orientational glass phase for multifaceted semiconducting nanocrystals can be used to investigate how this phase is formed and how it can be utilized for potential optical, electrical, and thermal transport applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Mechanistic Understanding of the Growth Kinetics and Dynamics of Nanoparticle Superlattices by Coupling Interparticle Forces from Real-Time Measurements

Superlattice structures formed by nanoparticle (NP) self-assembly have attracted increasing attention due to their potential as a novel class of nanomaterials with enhanced physicochemical properties tailored by the assembly structure. However, many key questions remain regarding the correlation between the dynamics of individual NPs and the emerging superlattice patterns. Here we investigated the self-assembly of gold NPs by employing in situ transmission electron microscopy equipped with direct detection camera capabilities, which enabled us to track the rapid motion of individual nanoparticles in real time. By calculating the contributions of Brownian, van der Waals, hydrodynamic, and steric hindrance forces, we obtained a quantitative evaluation of the competitive interactions that drive the assembly process. Such competition between forces over various separations is critical for the kinetics of cluster growth, as well as the superlattice formation. Brownian motion resulted in random particle motions to form small-sized clusters, whose growth dynamics was characterized as reaction-limited aggregation. Subsequently, at relative short-range particle separation, van der Waals force overrode the Brownian force and dominantly drove the assembly process. In the close proximity, a delicate balance between van der Waals and steric hindrance forces surprisingly led to a unique dynamic nature of the assembled superlattice. Our study provides a fundamental understanding of coupling energetics and dynamics of NPs involved in the assembly process, enabling the control and design of the structure of nanoparticle superlattices.

Lee, Jaewon↗
DOE OSTI2023

Novel angular velocity estimation technique for plasma filaments

Magnetic field aligned filaments such as blobs and edge localized mode filaments carry significant amounts of heat and particles to the plasma facing components and they decrease their lifetime. The dynamics of these filaments determine at least a part of the heat and particle loads. These dynamics can be characterized by their translation and rotation. In this paper, we present an analysis method novel for fusion plasmas, which can estimate the angular velocity of the filaments on frame-by-frame time resolution. After pre-processing, the frames are two-dimensional (2D) Fourier-transformed, then the resulting 2D Fourier magnitude spectra are transformed to log-polar coordinates, and finally the 2D cross-correlation coefficient function (CCCF) is calculated between the consecutive frames. The displacement of the CCCF’s peak along the angular coordinate estimates the angle of rotation of the most intense structure in the frame. Further, the proposed angular velocity estimation method is tested and validated for its accuracy and robustness by applying it to rotating Gaussian-structures. The method is also applied to gas-puff imaging measurements of filaments in National Spherical Torus Experiment plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Additive manufacturing of high explosives with inert dilution for wave shaping and detonation velocity grading

The performance of a high explosive charge is highly influenced by the detonation velocity and any inherent internal structure. Additively manufactured (AM) high explosive charges allow for a precisely engineered internal structure and the selective placement of discrete or graded volumes of a tailored material, which are unachievable by conventional means. The dilution of a solid explosive by an inert additive for detonation velocity reduction is herein evaluated for a method of material extrusion called a direct-ink-write AM, where an 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane-based ultraviolet -curable energetic-binder paste explosive was diluted by the inert density mock 5-iodo-2′-deoxyuridine for use in the manufacture of multi-material explosive charges. The explosive ink was characterized for printing by rheological and particle size measurements, and the detonation velocities for 0–40 wt. % inert diluent were found to have a continuous linear reduction in detonation velocity down to 14.3% difference. A two-component 3D plane wave explosive lens with 8.038 km/s “fast” and 7.491 km/s “slow” diluted ink in an internal cone demonstrated a reduced time of breakout at the output face from 361 to 53 ns. A linearly graded “fast–slow–fast” cylinder was successfully printed and fired, showing engineered control along the length of the charge as the detonation velocity dropped from 7.851 to 6.700 km/s and then recovered to 7.241 km/s. The extreme control over the internal composition of a high explosive charge via a dual-material extruder/mixer challenges conventional manufacturing approaches and opens new avenues for engineered detonation wavefronts, high explosive charge performance, and new applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Studies of Reynolds stress and the turbulent generation of edge poloidal flows on the HL-2A tokamak

Several new results on the physics linking edge poloidal flows to turbulent momentum transport are reported. These are based on experiments on the HL-2A tokamak. Significant deviation from the neoclassical prediction for mean poloidal flow in Ohmic and electron cyclotron resonance heating (ECRH) heated L-mode discharges is derived from direct measurement of the turbulent Reynolds stress. The deviation increases prominently with ECRH power. The turbulent poloidal viscosity is synthesized from fluctuation data, and is found to be comparable to the turbulent particle diffusivity. The intrinsic poloidal torque characterized by the divergence of the non-diffusive residual stress is deduced from synthesis for the first time in a tokamak plasma. Experimental evidence which demonstrates the dynamics of spectral symmetry breaking in drift wave turbulence is in good agreement with the development of the poloidal torque. Finally, taken together, these results elucidate the connections between power injection, turbulence development, pressure gradient and residual stress from symmetry breaking.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Benchmark eA generator for leptoproduction in high-energy lepton-nucleus collisions

The upcoming electron-ion collider (EIC) will address several outstanding puzzles in modern nuclear physics. Topics such as the partonic structure of nucleons and nuclei, the origin of their mass and spin, among others, can be understood via the study of high-energy electron-proton (ep) and electron-nucleus (eA) collisions. Achieving the scientific goals of the EIC will require a novel electron-hadron collider and detectors capable to perform high-precision measurements but also dedicated tools to model and interpret the data. To aid in the latter, we present a general-purpose e A Monte Carlo generator—BeAGLE. In this paper, we provide a general description of the models integrated into BeAGLE, applications of BeAGLE in eA physics, implications for detector requirements at the EIC, and the tuning of the parameters in BeAGLE based on available experimental data. Specifically, we focus on a selection of model and data comparisons in particle production in both ep and eA collisions, where baseline particle distributions provide essential information to characterize the event. In addition, we investigate the collision geometry determination in eA collisions, which could be used as an experimental tool for varying the nuclear density.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Phase Space Reconstruction from Accelerator Beam Measurements Using Neural Networks and Differentiable Simulations

Characterizing the phase space distribution of particle beams in accelerators is a central part of accelerator understanding and performance optimization. However, conventional reconstruction-based techniques either use simplifying assumptions or require specialized diagnostics to infer high-dimensional (> $2D$) beam properties. In this Letter, we introduce a general-purpose algorithm that combines neural networks with differentiable particle tracking to efficiently reconstruct high-dimensional phase space distributions without using specialized beam diagnostics or beam manipulations. Furthermore, we demonstrate that our algorithm accurately reconstructs detailed 4D phase space distributions with corresponding confidence intervals in both simulation and experiment using a single focusing quadrupole and diagnostic screen. This technique allows for the measurement of multiple correlated phase spaces simultaneously, which will enable simplified 6D phase space distribution reconstructions in the future.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Enhancing nanostructured nickel-rich lithium-ion battery cathodes via surface stabilization

Layered, nickel-rich lithium transition metal oxides have emerged as leading candidates for lithium-ion battery (LIB) cathode materials. High-performance applications for nickel-rich cathodes, such as electric vehicles and grid-level energy storage, demand electrodes that deliver high power without compromising cell lifetimes or impedance. Nanoparticle-based nickel-rich cathodes seemingly present a solution to this challenge due to shorter lithium-ion diffusion lengths compared to incumbent micrometer-scale active material particles. However, since smaller particle sizes imply that surface effects become increasingly important, particle surface chemistry must be well characterized and controlled to achieve robust electrochemical properties. Moreover, residual surface impurities can disrupt commonly used carbon coating schemes, which result in compromised cell performance. Using x-ray photoelectron spectroscopy, here we present a detailed characterization of the surface chemistry of LiNi0.8Al0.15Co0.05O2 (NCA) nanoparticles, ultimately identifying surface impurities that limit LIB performance. With this chemical insight, annealing procedures are developed that minimize these surface impurities, thus improving electrochemical properties and enabling conformal graphene coatings that reduce cell impedance, maximize electrode packing density, and enhance cell lifetime fourfold. Overall, this work demonstrates that controlling and stabilizing surface chemistry enables the full potential of nanostructured nickel-rich cathodes to be realized in high-performance LIB technology.

Lim, Jin-Myoung↗
DOE OSTI2023

Experimental 4D Tracking of a Single Electron in IOTA

We present the results of the first experiments on 4-dimensional phase-space tracking of a single electron in a storage ring, using a linear multi-anode photomultiplier tube for simultaneously measuring transverse coordinates and arrival times of synchrotron-radiation pulses. During the next few months, full 6D tracking will be implemented. This technology makes it possible to characterize the motion of a single particle, i.e. simultaneously tracking of amplitudes and phases for slow synchrotron oscillations and fast betatron oscillations. Complete tracking of a single particle enables the first direct measurements of dynamical properties, including invariants, amplitude-dependent tunes, and chaotic behavior.

43 PARTICLE ACCELERATORS↗