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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Implementation of higher-order velocity mapping between marker particles and grid in the particle-in-cell code XGC

The global total-f gyrokinetic particle-in-cell code XGC, used to study transport in magnetic fusion plasmas or to couple with a core gyrokinetic code while functioning as an edge gyrokinetic code, implements a 5-dimensional (5D) continuum grid to perform the dissipative operations, such as plasma collisions, or to exchange the particle distribution function information with a core code. To transfer the distribution function between marker particles and a rectangular 2D velocity-space grid, XGC employs a bilinear mapping. The conservation of particle density and momentum is accurate enough in this bilinear operation, but the error in the particle energy conservation can become undesirably large and cause non-negligible numerical heating in a steep edge pedestal. In the present work we update XGC to use a novel mapping technique, based on the calculation of a pseudo-inverse, to exactly preserve moments up to the order of the discretization space. We describe the details of the implementation and we demonstrate the reduced interpolation error for a tokamak test plasma by using 1st- and 2nd-order elements with the pseudo-inverse method and comparing to the bilinear mapping.

Fusion Plasma↗
DOE OSTI2024

Effects of particle size and AQDS on the flow of electron equivalents between magnetite and aqueous Fe2+

Magnetite can occur naturally in nano- to micro-size regimes and widely coexists with aqueous Fe2+ (Fe2+ (aq)) in natural environments. However, the effects of magnetite particle size on its interaction with Fe2+ (aq) in anoxic subsurface environments, particularly with redox-active organics, remain unclear. In this study, the interactions of Fe2+ (aq) with magnetite particles of 12 nm versus 109 nm (Mag-12 vs. Mag-109), with/without anthraquinone- 2,6-disulfonate (AQDS), were studied based on equilibrium Fe2+ (aq) concentrations, kinetics of AQDS reduction, and structural versus surface-localized Fe(II)/Fe(III) ratios (xstru and xsurf) of magnetite. In the absence of AQDS, Mag-12 tends to release Fe2+ (aq) at pH 7 but sorb Fe2+ (aq) at pH 8, while Fe2+ (aq) uptake by Mag-109 is observed at both pH 7 and 8. The amounts of Fe2+ (aq) adsorbed per unit area of Mag-109 is higher than that of Mag-12, due to the higher electron-accepting capacity of Mag-109 that facilitates interfacial electron transfer (IET) from surfaceassociated Fe(II) to structural Fe(III). The increases of xstru and xsurf in Mag-109 after reaction with Fe2+ (aq) at pH 7 and 8 suggest Fe2+ (aq) incorporation or electron injection into the structure of Mag-109. The presence of AQDS promotes Fe2+ (aq) uptake by both Mag-12 and Mag-109. However, AQDS reduction by Fe2+-amended Mag-12 results in the decrease of xstru and inhibits Fe2+ (aq) incorporation or electron injection into the structure. On the contrary, the increase of xstru observed in Fe2+-amended Mag-109 after reaction with AQDS suggests that Fe2+ (aq) incorporation or electron injection into the surface structure and then consequently into the interiors is more favorable for magnetite with larger particle sizes. The different flow directions of electron equivalents across the solid-solution interfaces can be attributed to the relatively higher electron-accepting capacity, i.e. redox potential, of Mag-109 than Mag-12; larger particle sizes facilitate IET from surface-associated Fe(II) to structural Fe(III) and promotes further Fe2+ (aq) uptake, culminating in the pronounced changes of redox potentials in magnetitebearing solutions. The results demonstrate that particle size and redox-active organics are important factors to affect reductive activity of Fe2+-magnetite system in redox-oscillating environments.

Peng, Huan↗
DOE OSTI2024

Simulations of divertor designs that spatially separate power and particle exhaust using mid-leg divertor particle pumping

Predictive design modeling of a Dissipation-Focused Divertor for future operation in DIII-D reveals that increasing the poloidal distance of the pump duct entrance from the target surface along the low-field side divertor baffle increases neutral compression and modifies the spatial distribution of power dissipation. With a divertor pump located mid-leg between the target and the X-point, SOLPS-ITER boundary plasma simulations without drifts predict the formation of a dense neutral cloud near the target with > 30x higher neutral compression in detachment, a more stable detachment front located further from the target, and ~25% lower outer midplane separatrix density required for detachment onset, compared to a pump located in the scrape-off layer at the target surface. Up to 19 MW of power flowing into the divertors is modeled using the following two numerical implementations for particle pumping: a specified fraction of particles incident on variable wall sections of the plasma grid is removed from the computational domain (so-called albedo pumping), and a pump duct is modeled which includes dynamics of kinetic neutrals in the duct. The simulations show that the detachment front is located between the divertor target and the X-point and is relatively stable near the pump entrance, without a strong dependence on gas puff rate or injected power. The mid-leg pump design spatially separates the two primary functions of a divertor (power handling and particle exhaust), with the majority of power dissipation occurring near the target plate and particle exhaust taking place further upstream. The benefit of enhanced dissipation using mid-leg pumping comes at the cost of a higher outer midplane separatrix density for a given amount of particle injection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Implementation of higher-order velocity mapping between marker particles and grid in the particle-in-cell code XGC

The global total-f gyrokinetic particle-in-cell code XGC, used to study transport in magnetic fusion plasmas or to couple with a core gyrokinetic code while functioning as an edge gyrokinetic code, implements a five-dimensional continuum grid to perform the dissipative operations, such as plasma collisions, or to exchange the particle distribution function information with a core code. To transfer the distribution function between marker particles and a rectangular two-dimensional velocity-space grid, XGC employs a bilinear mapping. The conservation of particle density and momentum is accurate enough in this bilinear operation, but the error in the particle energy conservation can become undesirably large and cause non-negligible numerical heating in a steep edge pedestal. In the present work we update XGC to use a novel mapping technique, based on the calculation of a pseudo-inverse, to exactly preserve moments up to the order of the discretization space. Here we describe the details of the implementation and we demonstrate the reduced interpolation error for a tokamak test plasma using first- and second-order elements with the pseudo-inverse method and comparing with the bilinear mapping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Investigating ultrafine aerosol turbulent fluxes during atmospheric new particle formation events

New particle formation (NPF) is an important source of atmospheric aerosols, yet quantitatively predicting its occurrence remains challenging, partly because ground-based measurements cannot capture NPF accurately if they occur in the upper atmosphere. While observations have confirmed the presence of new particles near the top of the planetary boundary layer (PBL), their origins and the direction of their vertical transport have remained ambiguous. Here, we propose and validate an analytical framework using airborne eddy-covariance (EC) and continuous wavelet transform (CWT) to directly quantify the vertical flux of newly formed particles and determine its dominant vertical transportation direction. Analyzing data from a dedicated airborne campaign over the Southern Great Plains, we observed a persistent and strong downward particle flux during NPF events, with a mean value of 133.8 cm?3 m s?¹ downward flux in the entrainment zone, whereas fluxes on non-NPF days were negligible. Our spectral analysis further confirms that these directional fluxes can be reliably captured using standard 1 Hz aerosol instrumentation. These findings suggest that new particle formation, driven by the entrainment of air from the overlying residual/stable layer during PBL growth, is a significant and potentially understudied source of boundary layer aerosols. The framework presented here provides a methodology to correctly attribute NPF events to specific altitudes, thereby improving the mechanistic understanding required for accurate atmospheric models.

Zhang, Ruoyu↗
DOE OSTI2025

Experimental Measurement of Particle-to-Particle Heat Transfer in Nanoparticle Solids

Thermal conductivity in nanoparticle solids has been previously reported in the range of 0.1-1 W m -1 K -1 , which is a much smaller variation than the orders of magnitude differences achievable in electrical conductivity of similar systems. Both the low absolute magnitude of thermal conductivity and the relative insensitivity compared to electrical conductivity may be largely attributed to the poor interfacial thermal conductance of the many interfaces of the nanocrystal solid, but a direct experimental study of these interfaces is challenging. Here, in this work, we overcome this challenge via direct spectroscopic observation of heat flow within the components of a nanocrystal solid. These thermal transfers are studied by mixing two distinct types of particles: one that serves as a selectively excited antenna to inject heat and the other as the thermal acceptor to report the time-dependent change in temperature. Using transient spectroscopy, the equilibration between the heat donor and heat acceptor is observed to require similar to ~300 ps at room temperature, speeds up at reduced temperature, and has only weak sensitivity to the relative stoichiometry of the components or the intervening ligands. These results contrast strongly with the 10-20 ps time-scale of through-bond heat transfer at the ligand-particle surface and highlight the substantially lower interfacial thermal conductance of particle-to-particle transport without covalent bonding. It is also found, serendipitously, that the mixed composite films show an unexpected, substantially enhanced nonlinear absorption at the resonant wavelength of the plasmonic particles, which is tentatively attributed to a local field enhancement.

heat transfer↗
DOE OSTI2026

A point-particle-based hydride shell-shedding model for ejecta particle transport in reactive environments

A shock wave passing over a rough or perturbed metal surface will induce a limiting case of Richtmyer–Meshkov instability and will cause small particles to eject from the surface and transport into the surrounding medium. These particles are known as ejecta and can be either solid or liquid in nature. Recent experiments have shown that liquid cerium ejecta clouds exhibit unexpected non-monotonic acceleration behaviors as well as temperature plateaus after a brief temperature rise if they are transporting in a chemically reactive, hydrogen-based medium while they act as expected in an inert medium. This work details a point-particle model developed for reactive cerium ejecta transport, which attempts to account for these new physics through the behavior of a developing solid hydride shell, which is believed to form as a product of the reaction. The overall model incorporates the effects of the reaction on the particle properties as well as the effects of potential shedding of the shell into sub-micrometer scale flakes and potential phase change of the hydride if the ejecta particles reach the melt point of the hydride layer. The model is tested by performing simulations of the original motivating experiments and comparing quantities, such as ejected mass, velocimetry, and temperature profiles, against the experimental data. While the model is able to capture many general features of the observed anomalies, some inaccuracies still exist. These point to both missing physics in the model (such as a deuterium adsorption mechanism on the hydride layer) as well as a lack of knowledge of certain material properties (such as the strength of cerium hydride to determine dynamic fracture thicknesses) needed to fully reduce the uncertainties in the model by up to an order of magnitude and perform a true attempt at model validation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A constitutive model for sheared dense suspensions of rough particles

In a concentrated suspension, particles come into contact due to the presence of asperities on their surfaces. As a result, the contact forces and interparticle friction become one of the important factors governing the rheology of rigid particle suspensions at high concentrations. We show that a load-dependent friction model can be used to reproduce the experimentally observed shear thickening [ST—continuous and discontinuous (DST)] behavior with an increase in the asperity size. Increasing the particle surface roughness size leads to a decrease in the critical shear rate above which shear-thickening takes place, a reduction in the critical volume fraction for DST and an increase in the viscosity jump across non-shear-thickened to shear-thickened regime. In this paper, we propose a constitutive model to quantify the effect of increasing the roughness size on the rheology of dense ST suspensions as well as on the critical shear rate for ST and the critical volume fraction for DST. We fit this model to our simulation data for stress controlled shear flow of dense rough particle suspensions. Once the fitting is complete, these equations are used to predict exact volume fractions and shear stress values for transitions between three regimes on the shear stress-shear rate flow state diagram for different roughness values. Furthermore, the results of this study can be used to tune the particle surface roughness for manipulating the dense suspension rheology according to different applications.

42 ENGINEERING↗
DOE OSTI2020

Particle Mass Flow Control and Measurement for High-Temperature Particle Receivers

This work is developing particle flow control and measurement methods for next-generation concentrating solar power systems employing particle-based technologies. Particle receivers are being pursued to provide substantial performance improvements through higher temperatures (>700 °C) for more efficient and cost-effective CSP systems with direct storage for electricity generation, process heating, thermochemistry, and solar fuels production. This specific work will develop technologies that enable more efficient particle receivers and scalable methods to accommodate variable irradiances during commercial on-sun operation. The development of next-generation particle-receiver systems and methods with potentially high consequences for improved performance and cost savings for CSP applications is an appropriate role for the government.

14 SOLAR ENERGY↗
DOE OSTI2021

Gen 3 Particle Pilot Plant (G3P3) -- High-Temperature Particle System for Concentrating Solar Power (Phases 1 and 2)

The U.S. Department of Energy Solar Energy Technologies Office initiated the Generation 3 Concentrating Solar Power (CSP) program to achieve higher operating temperatures (>700 °C) to enable next-generation CSP high-temperature power cycles such as the supercritical CO 2 (sCO2) Brayton Cycle. Three teams were selected to pursue high-temperature gas, liquid, and solid pathways for the heat-transfer media. Phases 1 and 2, which lasted from 2018 – 2020, consisted of design, modeling, and testing activities to further de-risk each of the technologies and develop a design for construction, commissioning, and operation of a pilot-scale facility in Phase 3 (2021 – 2024). This report summarizes the activities in Phases 1 and 2 for the solid-particle pathway led by Sandia National Laboratories. In Phases 1 and 2, Sandia successfully de-risked key elements of the proposed Gen 3 Particle Pilot Plant (G3P3) by improving the design, operation, and performance of key particle component technologies including the receiver, storage bins, particle-to-sCO2 heat exchanger, particle lift, and data acquisition and controls. Modeling and testing of critical components have led to optimized designs that meet desired performance metrics. Detailed drawings, piping and instrumentation diagrams, and process flow diagrams were generated for the integrated system, and structural analyses of the assembled tower structure were performed to demonstrate compliance with relevant codes and standards. Instrumentation and control systems of key subsystems were also demonstrated. Together with Bridgers & Paxton, Bohannan Huston, and Sandia Facilities, we have completed a 100% G3P3 tower design package with stamped engineering drawings suitable for construction bid in Phase 3.

14 SOLAR ENERGY↗
DOE OSTI2022

Technoeconomics of Particle-based CSP Featuring Falling Particle Receivers with and without Active Heliostat Control

This report documents the results and conclusions of a recent project to understand the technoeconomics of utility-scale, particle-based concentrating solar power (CSP) facilities leveraging unique operational strategies. This project included two primary objectives. The first project objective was to build confidence in the modeling approaches applied to falling particle receivers (FPRs) including the effect s of wind. The second project objective was to create the necessary modeling capability to adequately predict and maximize the annual performance of utility-scale, particle-based CSP plants under anticipated conditions with and without active heliostat control. Results of an extensive model validation study provided the strongest evidence to date for the modeling strategies typically applied to FPRs, albeit at smaller receiver scales. This modeling strategy was then applied in a parametric study of candidate utility-scale FPRs, including both free-falling and multistage FPR concepts, to develop reduced order models for predicting the receiver thermal efficiency under anticipated environmental and operating conditions. Multistage FPRs were found to significantly improve receiver performance at utility-scales. These reduced order models were then leveraged in a sophisticated technoeconomic analysis to optimize utility-scale , particle-based CSP plants considering the potential of active heliostat control. In summary, active heliostat control did not show significant performance benefits to future utility-scale CSP systems though some benefit may still be realized in FPR designs with wide acceptance angles and/or with lower concentration ratios. Using the latest FPR technologies available, the levelized-cost of electricity was quantified for particle-based CSP facilities with nominal powers ranging from 5 MW e up to 100 MW e with many viable designs having costs < 0.06 $/kWh and local minimums occurring between ~25–35 MW e .

14 SOLAR ENERGY↗
DOE OSTI2024

Enhanced Detection of Primary Biological Aerosol Particles Using Machine Learning and Single-Particle Measurement

Accurately identifying primary biological aerosol particles (PBAPs) using analytical techniques poses inherent challenges due to their resemblance to other atmospheric carbonaceous particles. Here, we present a study of an enhanced method for detecting PBAPs by combining single-particle measurement with advanced supervised machine learning (SML) techniques. We analyzed ambient particles from a variety of environments and lab-generated standards, focusing on chemical composition for traditional rule-based and clustering approaches and incorporating morphological features into the SML approaches, neural networks and XGBoost, for improved accuracy. This study demonstrates that SML methods outperform traditional methods in quantifying PBAPs, achieving significant improvements in precision, recall, F1-score, and accuracy, leading to an increased number of detected PBAPs by at least 19%. The adaptability of the proposed XGBoost-based SML model is showcased in comparison to traditional methods in categorizing PBAPs for blind data sets from different geographical locations. Two field case studies were investigated, over agricultural land and Amazonia rain forest, representing relatively low and high concentrations of PBAPs, respectively, where XGBoost consistently detected up to 3.5 times more PBAPs than traditional methods. Precise detection of PBAPs in the atmosphere could significantly improve the prediction of climatic impacts by them.

42 ENGINEERING↗
DOE OSTI2023

A search for decays of the Higgs boson to invisible particles in events with a top-antitop quark pair or a vector boson in proton-proton collisions at $$\sqrt{s} = 13\,\text {Te}\hspace{-.08em}\text {V} $$

A search for decays to invisible particles of Higgs bosons produced in association with a top-antitop quark pair or a vector boson, which both decay to a fully hadronic final state, has been performed using proton-proton collision data collected at $\sqrt{s} = 13$ TeV by the CMS experiment at the LHC, corresponding to an integrated luminosity of 138fb -1 . The 95% confidence level upper limit set on the branching fraction of the 125 GeV Higgs boson to invisible particles, B(H → inv), is 0.54 (0.39 expected), assuming standard model production cross sections. The results of this analysis are combined with previous B(H → inv) searches carried out at $\sqrt{s} = 7$, 8, and 13 TeV in complementary production modes. The combined upper limit at 95% confidence level on B(H → inv) is 0.15 (0.08 expected).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Structure of Diisobutylene Maleic Acid Copolymer (DIBMA) and Its Lipid Particle as a “Stealth” Membrane-Mimetic for Membrane Protein Research

The study of membrane proteins remains challenging, especially in a native membrane environment. Recently, major progress has been made using maleic acid copolymers, such as styrene maleic acid, to purify membrane proteins and study them directly with native lipids associated with the membrane. Additional maleic acid copolymers, such as diisobutylene maleic acid (DIBMA) membrane-mimetic systems, are being developed and found to have improved spectroscopic properties and pH stability. We studied DIBMA and its lipid particles in solution to better understand its assembly, without and with the lipids, to provide an insight regarding how to use it in solution for better membrane extraction. Using small-angle neutron and X-ray scattering (SANS/SAXS), we show that DIBMA organizes into structures of different size scales at various concentrations and ionic strengths. The polymer performed reasonably well under most solvent conditions except in very low concentrations and high-salt conditions that could result in limited interaction with lipids. To explore DIBMA lipid particles as a suitable membrane-mimetic system for neutron scattering studies of membrane proteins, we measured and determined the contrast-matching point of DIBMA to be ~12% (v/v) D 2 O — similar to that of most protiated lipid molecules but distinct from that of regular protiated proteins — providing a natural contrast for separating their neutron scattering signals. Using SANS contrast variation, we demonstrated that the scattering from the whole lipid particle can be annihilated. Further, we determined that a well-defined lipid nanodisc structure with DIBMA was contrast-matched. These results demonstrate that the DIBMA lipid particle is an outstanding “stealth” membrane-mimetic for membrane proteins. The results provide a structural framework for understanding the organization and assembly process of the polymer itself and the lipid molecules. Such an understanding is imperative for structural techniques such as cryo-electron microscopy, nuclear magnetic resonance, small-angle scattering, and other biophysical techniques.

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

Particle-based hematite crystallization is invariant to initial particle morphology

Significance Many crystallization processes occurring in nature produce highly ordered hierarchical architectures. Their formation cannot be explained using classical models of monomer-by-monomer growth. One of the possible pathways involves crystallization through the attachment of oriented nanocrystals. Thus, it requires detailed understanding of the mechanism of particle dynamics that leads to their precise crystallographic alignment along specific faces. In this study, we discover a particle-morphology–independent oriented attachment mechanism for hematite nanocrystals. Independent of crystal morphology, particles always align along the [001] direction driven by aligning interactions between (001) faces and repulsive interactions between other pairs of hematite faces. These results highlight that strong face specificity along one crystallographic direction can render oriented attachment to be independent of initial particle morphology.

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

PASSAT: particle accelerator helioScopes for Slim Axion-like-particle deTection

We propose a novel method to search for axion-like particles (ALPs) at particle accelerator experiments. ALPs produced at the target via the Primakoff effect subsequently enter a region with a magnetic field, where they are converted to photons that are then detected. Dubbed Particle Accelerator helioScopes for Slim Axion-like-particle deTection (PASSAT), our proposal uses the principle of the axion helioscope but replaces ALPs produced in the Sun with those produced in a target material. Since we rely on ALP-photon conversions , our proposal probes light (slim) ALPs that are otherwise inaccessible to laboratory-based experiments which rely on ALP decay, and complements astrophysical probes that are more model-dependent. As a first application, we reinterpret existing data from the NOMAD experiment in light of PASSAT, and constrain the parameter space for ALPs lighter than $$\sim 100~\mathrm{eV}$$ ~ 100 eV and ALP-photon coupling larger than $$\sim 10^{-4}~\mathrm{GeV}^{-1}$$ ~ 10 - 4 GeV - 1 . As benchmarks of feasible low-cost experiments improving over the NOMAD limits, we study the possibility of re-using the magnets of the CAST and the proposed BabyIAXO experiments and placing them at the proposed BDF facility at CERN, together with some new detectors. We find that these realizations of PASSAT allow for a direct probe of the parameter space for ALPs lighter than $$\sim 100~\mathrm{eV}$$ ~ 100 eV and ALP-photon coupling larger than $$\sim 4\times 10^{-6}~\mathrm{GeV}^{-1}$$ ~ 4 × 10 - 6 GeV - 1 , which are regions that have not been probed yet by experiments with laboratory-produced ALPs. In contrast to other proposals aiming at detecting single or two-photon only events in hadronic beam dump environments, that rely heavily on Monte Carlo simulations, the background in our proposal can be directly measured in-situ , its suppression optimized, and the irreducible background statistically subtracted. Sensitivity evaluations with other beams will be the subject of a future paper. The measurements suggested in this paper represent an additional physics case for the BDF at CERN beyond those already proposed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Extracting scattering amplitudes for arbitrary two-particle systems with one-particle left-hand cuts via lattice QCD

We derive a general formalism that relates the spectrum of two-particle systems in a finite volume to physical scattering amplitudes, taking into account the presence of any left-hand branch cuts due to single-particle exchanges. The method first relates the finite-volume spectrum to an infinite-volume short-range quantity, denoted ${\mathcal{M}}_0$, and then relates the latter to the physical scattering amplitudes via known integral equations. The derivation of both relations is performed using all-orders perturbation theory and is exact up to neglected exponentially suppressed volume dependence. The relations hold for arbitrary two-particle systems with any number of coupled channels, non-identical and non-degenerate particles, and any intrinsic spin.

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