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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Anomalous effect of vanadium boride seeding on thermoelectric properties of YB{sub 22}C{sub 2}N

Highlights: ► We doped YB{sub 22}C{sub 2}N; the long awaited n-type counterpart to p-type boron carbide. ► VB{sub 2} seeding of YB{sub 22}C{sub 2}N showed striking results. ► Thermal treatment effects led to VB{sub 2} being intrinsically doped. ► Large increase of both Seebeck coefficient and electrical conductivity was obtained. - Abstract: Vanadium boride seeded YB{sub 22}C{sub 2}N were synthesized and the thermoelectric properties investigated. YB{sub 22}C{sub 2}N is representative of the series of rare earth borocarbonitrides which is the potential long awaited n-type counterpart to p-type boron carbide. VB{sub 2} seeded samples of YB{sub 22}C{sub 2}N were prepared using VB{sub 2} directly as an initial additive and V{sub 2}O{sub 3} which also results in formation of vanadium diboride in the final product. The resistivity and Seebeck coefficient of samples were measured in the temperature range of 323 K to 1073 K. A dramatic effect of thermal treatment on the Seebeck coefficient of VB{sub 2} seeded samples was observed, and it is indicated that there is possible partial intrinsic doping of vanadium into YB{sub 22}C{sub 2}N. VB{sub 2} is revealed to be a promising additive to improve the thermoelectric properties of YB{sub 22}C{sub 2}N. An enhancement of more than 220% of the maximum absolute value of the Seebeck coefficient was obtained while the resistivity was also reduced considerably.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis, thermal expansion and high-temperature electrical conductivity of Co-doped (Y,Ca)FeO{sub 3−δ} with orthorhombic perovskite structure

Highlights: • (Y,Ca)(Fe,Co)O{sub 3−δ} was prepared via citrate-based route with annealing at 1150–1200 °C. • Y{sub 0.9}Ca{sub 0.1}Fe{sub 0.8}Co{sub 0.2}O{sub 3−δ} demonstrates low thermal expansion coefficient of 11.9 ppm K{sup −1}. • Oxides do not react with YSZ and GDC up to 1000 °C and 1100 °C, respectively. • Compounds demonstrate higher electrical conductivity in comparison with Y{sub 0.9}Ca{sub 0.1}FeO{sub 3}. • Pr-doped (Y,Ca)(Fe,Co)O{sub 3−δ} demonstrate both higher electrical conductivity and TEC. - Abstract: Orthorhombic perovskites Y{sub 1−x}Ca{sub x}Fe{sub 1−y}Co{sub y}O{sub 3−δ} (0.1 ≤ x ≤ 0.2, 0.1 ≤ y ≤ 0.2 and x = 0.1, y = 0.3) were synthesized in air by the citrate route at 1150–1300 °C. High-temperature X-ray powder diffraction (HT XRPD) data for Y{sub 0.9}Ca{sub 0.1}Fe{sub 0.8}Co{sub 0.2}O{sub 3−δ} at 25–800 °C showed no phase transition with calculated thermal expansion coefficient (TEC) of 11.9 ppm K{sup −1}. High-temperature electrical conductivity measurements revealed almost composition independent conductivity values of 22–27 S/cm at 900 °C. No chemical interaction of Y{sub 0.8}Ca{sub 0.2}Fe{sub 0.9}Co{sub 0.1}O{sub 3−δ} with (Zr,Y)O{sub 2−x} (YSZ) or (Ce,Gd)O{sub 2−x} (GDC) was observed up to 1000 °C and 1100 °C, respectively. Partial replacement of Y by Pr according to formula Y{sub 0.8−z}Pr{sub z}Ca{sub 0.2}Fe{sub 0.7}Co{sub 0.3}O{sub 3−δ}, 0.1 ≤ z ≤ 0.35, leads to an increase of both electrical conductivity up to 50 S/cm (z = 0.3) at 900 °C and dilatometry measured TEC up to 15.1 ppm K{sup −1}. Moderate values of electrical conductivity in combination with low TEC and stability towards chemical interaction with typical SOFC electrolytes make Co-doped Y{sub 1−x}Ca{sub x}FeO{sub 3−δ} promissing cathode materials for intermediate temperature solid oxide fuel cells (IT-SOFC)

36 MATERIALS SCIENCE↗
DOE OSTI2025

Elucidating the Competitive Hydrodeoxygenation of Lignin-Derived Oxygenates over Bulk MoO 3 Catalyst through Kinetic Analysis

Ambient pressure hydrodeoxygenation (HDO) of lignin-derived oxygenates over molybdenum oxide-based catalysts is an effective strategy to produce chemicals that can be directly integrated into our existing petrochemical infrastructure. Complexities pertaining to the simultaneous kinetic and mechanistic analysis of HDO have limited research endeavors to single-compound systems. Although valuable insight into the catalytic reaction has been gained through this approach, it provides limited understanding of the competitive adsorption behavior manifest in a realistic multioxygenate reaction environment. To address this shortcoming, simultaneous gas-phase acetone and anisole HDO was performed at 330 °C and ≤1 bar H 2 partial pressure over bulk MoO 3 . Propene, propane, and benzene were the HDO products formed, showing a similar product distribution to the single-compound system. Selectivity to propene and propane was ∼14 times higher than benzene, even at three times higher anisole partial pressure compared to acetone. A negative anisole HDO (−0.97 ± 0.22) rate order with varying acetone partial pressure suggested a strong inhibition effect on anisole HDO by acetone. Conversely, with increasing anisole partial pressure, a rate order of −0.07 ± 0.12 was observed for acetone HDO, implying a weak impact of anisole cofeed on acetone HDO. A kinetic-driven approach was taken to estimate the relative adsorption constants of the oxygenates. Acetone exhibited a 6.4 times higher adsorption propensity on the HDO active site than anisole. Relative adsorption constants for phenolics increased with increasing basicity of the oxygenate but decreased for aliphatic molecules, suggesting a volcano-shaped relationship. The results suggest the possibility of an optimal electron density around the molecule’s oxygen atom to maximize the molecule’s adsorption strength.

acid sites↗
DOE OSTI2016

The 7 × 1 Fermi Surface Reconstruction in a Two-dimensional f -electron Charge Density Wave System: PrTe 3

The electronic structure of a charge density wave (CDW) system PrTe 3 and its modulated structure in the CDW phase have been investigated by employing ARPES, XAS, Pr 4 f RPES, and first-principles band structure calculation. Pr ions are found to be nearly trivalent, supporting the CDW instability in the metallic Te sheets through partial filling. Finite Pr 4 f spectral weight is observed near the Fermi level, suggesting the non-negligible Pr 4 f contribution to the CDW formation through the Pr 4 f -Te 5p hybridization. The two-fold symmetric features in the measured Fermi surface (FS) of PrTe 3 are explained by the calculated FS for the assumed 7 × 1 CDW supercell formation in Te sheets. The shadow bands and the corresponding very weak FSs are observed, which originate from both the band folding due to the 3D interaction of Te sheets with neighboring Pr-Te layers and that due to the CDW-induced FS reconstruction. The straight vertical FSs are observed along k z , demonstrating the nearly 2D character for the near-EF states. The observed linear dichroism reveals the in-plane orbital character of the near-E F Te 5p states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

In Situ Raman Spectroscopy of Uranyl Peroxide Nanoscale Cage Clusters Under Hydrothermal Conditions

Aqueous solutions containing the nanoscale uranyl peroxide cage clusters U 60 , [(UO 2 )(O 2 )(OH)] 60 60- , and U 60 Ox 30 , [{(UO 2 )(O 2 )} 60 (C 2 O 4 ) 30 ] 60- , were monitored by in situ Raman spectroscopy during stepwise heating to 180°C. In solutions with U 60 , clusters persist to 120°C, although conversion of U 60 to U 24 , [(UO 2 )(O 2 )(OH)] 24 24- , occurs above 100°C. U 60 Ox 30 persisted in solutions heated to 150°C, although partial conversion to smaller uranyl peroxide clusters species was observed beginning at 100°C. Upon breakdown of the uranyl peroxide cage clusters, uranium precipitated as a compreignacite-like phase, K 2 [(UO 2 ) 3 O 2 (OH) 3 ] 2 (H 2 O) 7 , and metaschoepite, [(UO 2 ) 8 O 2 (OH) 12 ](H 2 O) 10 . In this work, the role of the countercations, oxalate bridge, and solution pH are examined in order to better understand the mobility of these species at elevated temperatures.

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

UO 2 F 2 particulate formation in an impinging jet gas reactor

Computational fluid dynamics (CFD), chemical kinetics, and aerosol dynamics were combined to model the formation of uranyl fluoride particles from the hydrolysis of uranium hexafluoride gas. This chemical process has been studied for many decades, however, detailed measurements of aerosol formation have only become available in the past few years which provide a basis for model comparison. Here, CFD simulations predicted complicated flow patterns in the impinging jet gas reactor. Aerosol formation simulations also predicted higher mass concentrations than were observed experimentally. This suggested that experimental data provided a partial representation which was subsequently enhanced by modeling and simulation.

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

The radial distribution of X-ray binaries and globular clusters in NGC 4649 and their relation with the local stellar mass density

We investigate the radial distribution of the low-mass X-ray binary (LMXB) population in the elliptical galaxy NGC 4649, using Chandra and Hubble data to separate the field and globular cluster (GC) populations. GCs with LMXBs have the same radial distribution as the parent red and blue GCs. The radial profile of field LMXBs follows the V-band profile within the D25 of NGC 4649. Using the spatial information provided by our data, we find that the global galaxy-wide relations among cumulative number and luminosity of LMXBs and the integrated stellar mass hold on local scales within D25. An excess of field LMXBs with respect to the V-band light is observed in the galaxy's outskirts, which may be partially due to unidentified GC sources or to a rejuvenated field LMXB population caused by past merging interactions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Localized magnetic moments in metallic SrB 6 single crystals

We report the specific heat C p of metallic SrB 6 single crystals shows an anomalous behavior for T ≲ 5 K which varies strongly with an applied magnetic field. This is consistent with a two-level Schottky system. We ascribe the excess of C p in this temperature range to localized magnetic moments. In addition, features that are attributable to a partial ferromagnetic polarization of a conduction electron gas are observed. Finally, these results are supported by magnetization measurements and are compatible with the transport properties reported previously (Stankiewicz 2016 Phys. Rev. B 94 125141).

36 MATERIALS SCIENCE↗
DOE OSTI2024

The generation of a multiphase medium in ‘Splash’ bridge systems: towards an understanding of star formation suppression in turbulent galaxy systems

ABSTRACT Cloud–cloud collisions in splash bridges produced in gas-rich disc galaxy collisions offer a brief but interesting environment to study the effects of shocks and turbulence on star formation rates in the diffuse intergalactic medium, far from the significant feedback effects of massive star formation and active galactic nucleus. Expanding on our earlier work, we describe simulated collisions between counter-rotating disc galaxies of relatively similar mass, focusing on the thermal and kinematic effects of relative inclination and disc offset at the closest approach. This includes essential heating and cooling signatures, which go some way towards explaining the luminous power in H$_2$ and [C ii] emission in the Taffy bridge, as well as providing a partial explanation of the turbulent nature of the recently observed compact CO-emitting clouds observed in Taffy by the Atacama Large Millimeter Array (ALMA). The models show counter-rotating disc collisions result in swirling, shearing kinematics for the gas in much of the post-collision bridge. Gas with little specific angular momentum due to collisions between counter-rotating streams accumulates near the centre of mass. The disturbances and mixing in the bridge drive continuing cloud collisions, differential shock heating, and cooling throughout. A wide range of relative gas phases and line-of-sight velocity distributions are found in the bridges, depending sensitively on initial disc orientations, and the resulting variety of cloud collision histories. Most cloud collisions can occur promptly or persist for quite a long duration. Cold and hot phases can largely overlap throughout the bridge or can be separated into different parts of the bridge.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Role of magnetic and structural symmetry breaking in forming the Mott insulating gap in Nb 3 ⁢Cl 8

The α-phase of the gapped insulator Nb 3 Cl 8 has recently emerged as the long-sought critical testing bed for examining the importance of strong interelectronic correlation vs symmetry breaking in understanding insulation of such Mott compounds. Structural symmetry breaking detected by density functional theory (DFT) energy lowering (such as dimer formation, disproportionation, or Jahn-Teller distortions) explains insulation in both d-electron Mott-like systems and in non-d-electron cases without recourse to strong correlation. Yet, in Nb 3 Cl 8 , structural symmetry breaking alone (viz. formation of Nb trimers) fails to explain insulation, leading instead to a partially occupied metallic flat band, in contrast with experimental observations. We examine the role of magnetic symmetry breaking, noting that Nb 3 Cl 8 is an observed paramagnet (not an antiferromagnet), thus potentially carrying also short-range ordered magnetic moments. Describing the latter as a polymorphous distribution of nonzero local moments with total zero net magnetization is demonstrated to lower the DFT total energy, while gapping the system without recourse to strong correlation or long-range magnetic order. This suggests that degeneracy removal by symmetry breaking in mean-field-like approaches—either structural, or magnetic, or both—can reduce or eliminate the need for strong correlation, allowing the use of DFT for such Mott systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Lowering of Tc in Van Der Waals Layered Materials Under In-Plane Strain

The dependence of electromechanical behavior on strain in ferroelectric materials can be leveraged as parameter to tune ferroelectric properties such as the Curie temperature. For van der Waals materials, a unique opportunity arises because of wrinkling, bubbling, and Moiré phenomena accessible due to structural properties inherent to the van der Waals gap. Here, we use piezoresponse force microscopy and unsupervised machine learning methods to gain insight into the ferroelectric properties of layered CuInP2S6 where local areas are strained in-plane due to a partial delamination, resulting in a topographic bubble feature. We observe significant differences between strained and unstrained areas in piezoresponse images as well as voltage spectroscopy, during which strained areas show a sigmoid-shaped response usually associated with the response measured around the Curie temperature, indicating a lowering of the Curie temperature under tensile strain. These results suggest that strain engineering might be used to further increase the functionality of CuInP2S6 through locally modifying ferroelectric properties on the micro- and nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Morphogenes bolA and mreB mediate the photoregulation of cellular morphology during complementary chromatic acclimation in Fremyella diplosiphon : Photoregulation of morphogenes mediates cell shape

Photoregulation of pigmentation during complementary chromatic acclimation (CCA) is well studied in Fremyella diplosiphon; however, mechanistic insights into the CCA-associated morphological changes are still emerging. F. diplosiphon cells are rectangular under green light (GL), whereas cells are smaller and spherical under red light (RL). Here, we investigate the role of morphogenes bolA and mreB during CCA using gene expression and gene function analyses. The F. diplosiphon bolA gene is essential as its complete removal from the genome was unsuccessful. Depletion of bolA resulted in slow growth, morphological defects and the accumulation of high levels of reactive oxygen species in a partially segregated ΔbolA strain. Higher expression of bolA was observed under RL and was correlated with lower expression of mreB and mreC genes in wild type. In a ΔrcaE strain that lacks the red-/green-responsive RcaE photoreceptor, the expression of bolA and mre genes was altered under both RL and GL. Observed gene expression relationships suggest that mreB and mreC expression is controlled by RcaE-dependent photoregulation of bolA expression. Expression of F. diplosiphon bolA and mreB homologues in Escherichia coli demonstrated functional conservation of the encoded proteins. Together, these studies establish roles for bolA and mreB in RcaE-dependent regulation of cellular morphology.

Singh, Shailendra P.↗
DOE OSTI2012

Shear-Induced Anisotropy of Concentrated Multi-walled Carbon Nanotube Suspensions Using X-ray Scattering

X-ray scattering is used to measure particle orientation in concentrated multiwalled carbon nanotube (MWNT) suspensions under shear flow. MWNTs were dispersed in a Newtonian suspending fluid (uncured epoxy). The dispersions exhibit shear thinning, approaching the matrix viscosity at high shear rates. This is accompanied by progressive development of MWNT orientation along the flow direction with increasing shear rate. The impact of MWNT aspect ratio and concentration on steady-state orientation is explored. In one sample (2 wt. % dispersion of short MWNTs), orientation was measured in both the flow-gradient (1-2) and flow-vorticity (1-3) planes of shear flow to provide a more complete picture of the three-dimensional orientation state. Also in this sample, 1-3 plane measurements were conducted using both small- and wide-angle x-ray scattering (SAXS and WAXS). While the two methods produce qualitatively similar results, WAXS-derived measures of flow-induced anisotropy are consistently larger than SAXS data. In transient measurements following step-down in shear rate, MWNT orientation is found to decrease on similar time scales as viscosity increases. Prolonged growth of storage modulus is observed following flow cessation, accompanied by an unexpectedly rapid partial loss of MWNT orientation. The rheological and orientation data are discussed in terms of distortion, breakdown, and reformation of percolated MWNT networks in these samples.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Three-dimensional positioning and structure of chromosomes in a human prophase nucleus

The human genetic material is packaged into 46 chromosomes. The structure of chromosomes is known at the lowest level, where the DNA chain is wrapped around a core of eight histone proteins to form nucleosomes. Around a million of these nucleosomes, each about 11 nm in diameter and 6 nm in thickness, are wrapped up into the complex organelle of the chromosome, whose structure is mostly known at the level of visible light microscopy to form a characteristic cross shape in metaphase. However, the higher-order structure of human chromosomes, between a few tens and hundreds of nanometers, has not been well understood. We show a three-dimensional (3D) image of a human prophase nucleus obtained by serial block-face scanning electron microscopy, with 36 of the complete set of 46 chromosomes captured within it. The acquired image allows us to extract quantitative 3D structural information about the nucleus and the preserved, intact individual chromosomes within it, including their positioning and full spatial morphology at a resolution of around 50 nm in three dimensions. The chromosome positions were found, at least partially, to follow the pattern of chromosome territories previously observed only in interphase. The 3D conformation shows parallel, planar alignment of the chromatids, whose occupied volumes are almost fully accounted for by the DNA and known chromosomal proteins. Here, we also propose a potential new method of identifying human chromosomes in three dimensions, on the basis of the measurements of their 3D morphology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Hanging String Cuts in SPR Caverns: Modeling Investigation and Comparison with Sonar Data

Investigation of leaching for oil sales includes looking closely at cavern geometries. Anomalous cavern "features" have been observed near the foot of some caverns subsequent to partial drawdowns. One potential mitigation approach to reducing further growth of preexisting features is based on the hypothesis that reducing the brine string length via a "string cue' would serve to move the zone associated with additional leaching to a location higher up in the cavern and thus away from the preexisting feature. Cutting of the hanging string is expected to provide a control of leaching depth that could be used to "smooth" existing features and thus reduce geomechanical instability in that region of the cavern. The SANSMIC code has been used to predict cavern geometry changes (i.e., the extent of cavern growth with depth) based on variable input parameters for four caverns: West Hackberry 11 (WH11), West Hackberry 113 (WH113), Big Hill 104 (BH104), Big Hill 114 (BH114). By comparing the initial sonar geometry with resultant geometries calculated by the SANSMIC code, conclusions may be drawn about the potential impact of these variables on future cavern growth. Ultimately, these conclusions can be used to assess possible mitigation strategies such as the potential advantage of cutting versus not cutting a brine string. This work has resulted in a recommendation that a hanging string cut of 80 ft in WH11 would be beneficial to future cavern geometry, while there would be little to no benefit to string cuts in the other three caverns investigated here. The WH11 recommendation was followed in 2019, resulting in an operational string cut. A sonar performed after the string cut showed no adverse leaching in the area of the preexisting flare, as expected from the results of the preliminary SANSMIC runs described in this report. Additional SANSMIC modeling of the actual amount of injected raw water resulted in good agreement with the post-cut sonar.

02 PETROLEUM↗
DOE OSTI2024

The Monolithic Heat Pipe Microreactor Reference Plant Model

This work introduces a reference plant model for a generic monolithic heat-pipe-cooled microreactor. The model will serve as a springboard to develop future evaluation models in the licensing process of similar microreactor designs at the U.S. Nuclear Regulatory Commission. This model has been developed with the Comprehensive Reactor Analysis Bundle and its specifications are based on open literature publications for the eVinci TM design. BlueCRAB is the U.S. Nu- clear Regulatory Commission non-light-water reactor analysis system based on the Multiphysics Object-Oriented Simulation Environment framework, which can couple the Griffin, BISON, and Sockeye applications to resolve the various physics that are essential for the safety analysis of this type of reactor system. The core specifications includes tristructural isotropic fuel, graphite monolith, graphite reflectors, and drums composed of graphite and B 4 C. No moderator or burnable poison pins are used in the design. The fuel enrichment is reduced to control excess reactivity in the core. This core design is not optimized and only serves for testing purposes, since the primary objective of this work is to exercise the multiphysics coupling for this type of reactor system. A three dimensional (3D) core heterogeneous Griffin discrete ordinates (SN) transport model allows the precise calculation of the flux distribution and pin powers. Griffin transfers the power density distribution and obtains a temperature distribution to and from BISON. The BISON model com- putes the 3D core temperature distribution and is coupled to 876 Sockeye subapplications running a heat pipe model. This 3D conduction model is coupled to the various heat pipes via heat flux boundary conditions. The model includes a small gap between the heat pipe and the monolith. Convective heat transfer boundaries with either ambient temperature or condenser temperature as heat sinks are imposed at the model boundaries. The 2D Sockeye heat pipe model uses a vapor- only methodology, which provides the needed resolution for transient calculations and allows the determination of various heat pipe limits. This approach is superior to the superconductor model traditionally used in steady-state calculations. BlueCRAB computes steady-state power and temperature distributions that serve as the initial condition for a loss-of-heat-sink transient simulation. The steady-state results show significant peaking due to the position of the control drum, but this is a characteristic of the particular design used, which is not optimized at this stage. The transient results show the reactor power slowly stabilizing towards a 3% power level after the partial loss of secondary heat removal. Several recriticalities are observed due to cooling through the secondary system but the reactor is self-stabilizing and behaves as expected.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1972

Electrodes for the thermionic converters, phase 2 - 3

The characteristics of electrodes for thermionic converters are discussed. A metal/ceramic Marchuk tube was constructed and operated with a quiescent cesium vapor plasma corresponding to cesium liquid reservoir temperatures from 376 to 427 K. The work function characteristics of tantalum test emitters coated with anodic films were measured to evaluate the applicability of the materials as the collector surface in a plasma mode thermionic converter. Work function minimum values between 1.4 and 1.5 electron volts were observed. The effect of the electronegative surface layers was partially obscured by additive vapor impurities detected by the clean tantalum reference emitter.

Desteese, J. G.↗
NASA NTRS1976

Lyman-alpha emission from nonthermal proton beams

Nonthermal fast protons penetrating an atmosphere containing neutral hydrogen will produce some nonthermal fast neutrals which will radiate Doppler-shifted photons. The hydrogen line profiles observed from such an atmosphere will thus have nonthermal, partially polarized wings that contain information on the flux, energy spectrum, and direction of the incident proton beam. This paper develops the theory of this effect and applies it to proton beams from impulsive solar flares impacting on the sun's atmosphere. Calculations of the L-alpha profile from the region of impact have been made for the Vernazza-Avrett-Loeser solar atmosphere assuming proton energy fluxes and power-law spectra similar to those inferred for the electron beams believed responsible for hard X-ray bursts. The resulting profiles show that the effect should be detectable and that it could serve as a diagnostic for flare protons near their place of origin on the sun.

Orrall, F. Q.↗