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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 235 records · Page 13

Finding simplicity: unsupervised discovery of features, patterns, and order parameters via shift-invariant variational autoencoders *

Abstract Recent advances in scanning tunneling and transmission electron microscopies (STM and STEM) have allowed routine generation of large volumes of imaging data containing information on the structure and functionality of materials. The experimental data sets contain signatures of long-range phenomena such as physical order parameter fields, polarization, and strain gradients in STEM, or standing electronic waves and carrier-mediated exchange interactions in STM, all superimposed onto scanning system distortions and gradual changes of contrast due to drift and/or mis-tilt effects. Correspondingly, while the human eye can readily identify certain patterns in the images such as lattice periodicities, repeating structural elements, or microstructures, their automatic extraction and classification are highly non-trivial and universal pathways to accomplish such analyses are absent. We pose that the most distinctive elements of the patterns observed in STM and (S)TEM images are similarity and (almost-) periodicity, behaviors stemming directly from the parsimony of elementary atomic structures, superimposed on the gradual changes reflective of order parameter distributions. However, the discovery of these elements via global Fourier methods is non-trivial due to variability and lack of ideal discrete translation symmetry. To address this problem, we explore the shift-invariant variational autoencoders (shift-VAEs) that allow disentangling characteristic repeating features in the images, their variations, and shifts that inevitably occur when randomly sampling the image space. Shift-VAEs balance the uncertainty in the position of the object of interest with the uncertainty in shape reconstruction. This approach is illustrated for model 1D data, and further extended to synthetic and experimental STM and STEM 2D data. We further introduce an approach for training shift-VAEs that allows finding the latent variables that comport to known physical behavior. In this specific case, the condition is that the latent variable maps should be smooth on the length scale of the atomic lattice (as expected for physical order parameters), but other conditions can be imposed. The opportunities and limitations of the shift VAE analysis for pattern discovery are elucidated.

97 MATHEMATICS AND COMPUTING↗

Occultations of stars and radio sources by comets: Predictions and observing prospects

The results that might stem from observations of occultations of stars and radio sources by cometary comae and ion tails are outlined. Taking account of the current orbital accuracy of P/Halley, specific predictions of stellar appulses with that comet, including preliminary topocentric circumstances, are presented. A crude model of the absorption of starlight by grains in a dusty comet supports the notion that stellar extinction may be observable in practice. Some thoughts on observing techniques are set down, discussing the merits of a two-dimensional detector (a CCD camera) and a conventional aperture photometer. The need for accurate photometric observations with time resolution approx. 1 sec is stressed because the interval of greatest extinction will usually be brief. Finally, the efficacy of undertaking accurate relative astrometry of comets during predicted approaches to stars is explored.

Bowell, E.↗

CubeSat Payloads on NASA’s Space Launch System Pave the Way for Artemis Moon Missions

Preparing for first launch in 2021, NASA’s Space Launch System (SLS) super heavy-lift launch vehicle will usher in a new era of human spaceflight, returning astronauts to the Moon as part of the Artemis program. Although designed to send crew in the Orion spacecraft and large payloads to the Moon and beyond, SLS also provides CubeSats with rideshare opportunities for missions to deep space. The first launch of SLS and Orion, Artemis I, has 13 6U CubeSats manifested. The payloads have been tested and will soon ship to Kennedy Space Center (KSC) to be integrated into commercial off-the-shelf (COTS) dispensers and integrated into the SLS Block 1 vehicle. Leveraging launches for the Artemis program to deploy rideshare smallsats to deep space provides a low-cost opportunity to perform missions that previously would have required a larger spacecraft and a dedicated launch, and offers additional benefits to both NASA and the smallsat community. CubeSats, including those manifested on the Artemis I flight, have a valuable role to play in the Artemis program, providing data to address NASA’s identified Strategic Knowledge Gaps (SKGs) in its plans to permanently establish humanity in deep space. Payload sponsors and developers for the Artemis I CubeSats hail from a variety of NASA industry partners and mission directorates, as well as international space agencies and universities. Several payloads destined for cislunar space will demonstrate propulsion systems and other technologies useful to future exploration. Science missions manifested on the Artemis I flight include characterizing the effects of deep space radiation on living organisms, searching for hydrogen and other volatiles on the Moon’s South Pole, and studying the lunar radiation environment. Three of the payloads were selected through NASA’s Centennial Challenges Program. Those payloads are competing for prize money while meeting specific technical development goals, such as communication with Earth from millions of miles in space. Student involvement in almost half of the Artemis I payload development allows STEM engagement with SLS and NASA’s Artemis program. As the initial vehicle to fly, the SLS Block 1 vehicle will lay the foundation for a generation of human and robotic deep space exploration missions. The Block 1 core stage is undergoing final testing at Stennis Space Center in 2020 before transportation to KSC for integration and launch in 2021. Following the Block 1 vehicle, the Block 1B and Block 2 vehicles will incorporate propulsion system upgrades and other changes to increase lift capability. In addition to sending the Orion vehicle to TLI, SLS can also be outfitted with large-diameter fairings to send robotic probes to deep space. With unparalleled lift, volume and departure energy, SLS is poised to usher in a new generation of spaceflight. In addition to launching Orion and large-volume missions, CubeSats may also be a part of Artemis missions to deep space.

Kimberly Robinson↗

Optimize Electron Beam Energy toward In Situ Imaging of Thick Frozen Bio-Samples with Nanometer Resolution Using MeV-STEM

To optimize electron energy for in situ imaging of large biological samples up to 10 μm in thickness with nanoscale resolutions, we implemented an analytical model based on elastic and inelastic characteristic angles. This model has been benchmarked by Monte Carlo simulations and can be used to predict the transverse beam size broadening as a function of electron energy while the probe beam traverses through the sample. As a result, the optimal choice of the electron beam energy can be realized. In addition, the impact of the dose-limited resolution was analysed. While the sample thickness is less than 10 μm, there exists an optimal electron beam energy below 10 MeV regarding a specific sample thickness. However, for samples thicker than 10 μm, the optimal beam energy is 10 MeV or higher depending on the sample thickness, and the ultimate resolution could become worse with the increase in the sample thickness. Moreover, a MeV-STEM column based on a two-stage lens system can be applied to reduce the beam size from one micron at aperture to one nanometre at the sample with the energy tuning range from 3 to 10 MeV. In conjunction with the state-of-the-art ultralow emittance electron source that we recently implemented, the maximum size of an electron beam when it traverses through an up to 10 μm thick bio-sample can be kept less than 10 nm . This is a critical step toward the in situ imaging of large, thick biological samples with nanometer resolution.

36 MATERIALS SCIENCE↗

(CrMnCoNiTi) 3 O 4 high-entropy spinel oxide as a high-performance electrode for supercapacitors

In this study, spinel-structured (CrMnCoNiTi)₃O₄ high-entropy oxides (HEOs) have been successfully synthesized using the solution combustion method, and their performance as supercapacitor electrode materials was investigated. These HEOs exhibit excellent performance, stemming from the unique high-entropy effect and lattice distortion. This structure effectively buffers volumetric strain during cycling, conferring the material with extremely high structural stability and specific capacity. The material demonstrates a high specific capacity of 491.5 C∙g⁻¹ at a current density of 0.5 A∙g⁻¹. Furthermore, it shows extraordinary cycling stability: after 10,000 charge/discharge cycles at 5 A∙g⁻¹, the capacity retention rate is 99%, and the Coulombic efficiency consistently remains close to 100%. Ex-situ structural characterizations further reveal that this excellent cycling durability originates from a cooperative multination valence reconstruction mechanism within an entropy-stabilized spinel framework. Additionally, a symmetric supercapacitor assembled using this material and 1 M KOH electrolyte successfully extended the working voltage to 1.2 V. This research highlights the great potential of high-entropy oxides in synergizing high energy density and ultra-long cycling life, laying a solid foundation for the development of next-generation high-performance supercapacitor electrode materials.

High entropy oxides↗

Combining High-Throughput Experiments and Active Learning to Characterize Deep Eutectic Solvents

The high tunability of deep eutectic solvents (DESs) stems from the ease of changing their precursors and relative compositions. However, measuring the physicochemical properties across large composition and temperature ranges, necessary to properly design target-specific DESs, is tedious and error-prone and represents a bottleneck in the advancement and scalability of DES-based applications. As such, active learning (AL) methodologies based on Gaussian processes (GPs) were developed in this work to minimize the experimental effort necessary to characterize DESs. Owing to its importance for large-scale applications, the reduction of DES viscosity through the addition of a low-molecular-weight solvent was explored as a case study. A high-throughput experimental screening was initially performed on nine different ternary DESs. Then, GPs were successfully trained to predict DES viscosity from its composition and temperature, showcasing the ability of these stochastic, nonparametric models to accurately describe the physicochemical properties of complex mixtures. Finally, the ability of GPs to provide estimates of their own uncertainty was leveraged through an AL framework to minimize the number of data points necessary to obtain accurate viscosity modes. This led to a significant reduction in data requirements, with many systems requiring only five independent viscosity data points to be properly described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure of coxsackievirus cloverleaf RNA and 3C pro dimer establishes the RNA-binding mechanism of enterovirus protease 3C pro

In positive-strand RNA viruses, the genome serves as a template for both protein translation and negative-strand RNA synthesis. Enteroviruses use the cloverleaf RNA structure at the 5′ end of the genome to balance these two processes. Cloverleaf acts as a promoter for RNA synthesis and forms a complex with viral 3CD protein, the precursor to 3C pro protease, and 3D pol polymerase. The interaction between cloverleaf and 3CD is mediated by the 3C pro domain, yet how 3C pro promotes specific RNA-binding is not clear. We report the structure of coxsackievirus cloverleaf RNA-3C pro complex, wherein two 3C pro molecules interact with cloverleaf stem-loop D. 3C pro dimer mainly recognizes the shape of the dsRNA helix through symmetric interactions, suggesting that 3C pro is a previously undiscovered type of RNA binding protein. We show that 3CD protein also dimerizes on cloverleaf RNA and binds the RNA with higher affinity than 3C pro . The structure provides insight into the RNA-binding mechanism of 3C pro or 3CD with other cis-acting replication elements.

Science & Technology - Other Topics↗

Nanoscale Compositional Mapping of Commercial LiNi 0.8 Co 0.15 Al 0.05 O 2 Cathodes Using Atom Probe Tomography

Nickel-rich cathodes provide improved specific capacity that lead to higher gravimetric energy density, critical for electric vehicles. However, poor long-term capacity retention at elevated temperatures/high C-rates (the rate of charge and discharge on a battery) stem from material issues: surface phase changes, corrosive side reactions with the electrolyte, ion dissolution and propagation of cracks. Introducing dopants, developing nanoscale surface coatings and graded core-shell structures have all improved the electrochemical performance of nickel-rich cathodes. However, a material level understanding on the effect of Li composition and distribution in Ni-rich cathodes is limited, due to a lack of characterization methods available that can directly image Li at the nanoscale. Hence, it is critical to establish methods such as atom probe tomography (APT), having both nanometer scale spatial resolution and high compositional sensitivity to quantitatively analyze battery cathodes. To fully realize its potential as a method for quantitative compositional analysis of commercial Li-ion batteries, we provide a comprehensive description of the challenges in sample preparation and analyze the dependency of the analysis parameters, specifically laser pulse energy on the measured stoichiometry of elements in a high Ni content cathode material; LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA). In this work, our findings show the stoichiometry variations cannot be explained by charge state ratios or Ga implantation damage alone during FIB preparation, indicating that additional factors such as crystallographic orientation may need to be considered to achieve quantitative nanoscale compositional analysis of such battery cathodes using APT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The role of vascular niche and endothelial cells in organogenesis and regeneration

Highlights: • The vascular niche creates a permissive environment that realize developmental or regenerative programs. • The proximity between endothelium and cells of organs suggests a role of endothelial cells in the organs maturation. • Organs provide cues shaping vascular network structure. The term vascular niche indicate the physical and biochemical microenvironment around blood vessel where endothelial cells, pericytes, and smooth muscle cells organize themselves to form blood vessels and release molecules involved in the recruitment of hematopoietic stem cells, endothelial progenitor cells and mesenchymal stem cells. The vascular niche creates a permissive environment that enables different cell types to realize their developmental or regenerative programs. In this context, the proximity between the endothelium and the new-forming cellular components of organs suggests an essential role of endothelial cells in the organs maturation. Dynamic interactions between specific organ endothelial cells and different cellular conponents are crucial for different organ morphogenesis and function. Conversely, organs provide cues shaping vascular network structure.

60 APPLIED LIFE SCIENCES↗

Nop9 recognizes structured and single-stranded RNA elements of preribosomal RNA

Nop9 is an essential factor in the processing of preribosomal RNA. Its absence in yeast is lethal, and defects in the human ortholog are associated with breast cancer, autoimmunity, and learning/language impairment. PUF family RNA-binding proteins are best known for sequence-specific RNA recognition, and most contain eight α-helical repeats that bind to the RNA bases of single-stranded RNA. Nop9 is an unusual member of this family in that it contains eleven repeats and recognizes both RNA structure and sequence. Here we report a crystal structure of Saccharomyces cerevisiae Nop9 in complex with its target RNA within the 20S preribosomal RNA. This structure reveals that Nop9 brings together a carboxy-terminal module recognizing the 5' single-stranded region of the RNA and a bifunctional amino-terminal module recognizing the central double-stranded stem region. We further show that the 3' single-stranded region of the 20S target RNA adds sequence-independent binding energy to the RNA–Nop9 interaction. Both the amino- and carboxy-terminal modules retain the characteristic sequence-specific recognition of PUF proteins, but the amino-terminal module has also evolved a distinct interface, which allows Nop9 to recognize either single-stranded RNA sequences or RNAs with a combination of single-stranded and structured elements.

59 BASIC BIOLOGICAL SCIENCES↗

Ceria Incorporation in Sinter-Resistant Platinum-Based Catalysts

Platinum group metals (PGM) are widely used for exhaust emission abatement. Sintering during the high-temperature emission control conditions decreases noble metal utilization efficiency. Efficient use of scarce noble metals requires sinter-resistant catalysts. Here we extend an approach to synthesize catalysts consisting of platinum nanoparticles encapsulated in a mixture of cerium and aluminum oxides (Pt@Al 2 O 3 -CeO 2 ). We tested the activity of this catalyst toward carbon monoxide, propene, and propane oxidation chosen as model oxidation reactions for emission control catalysts. Pt@Al 2 O 3 -CeO 2 catalysts demonstrated similar activity and stability upon aging as the comparison system without ceria, Pt@Al 2 O 3 , while maintaining small Pt nanoparticles and ceria crystallites. Additionally, we studied the influence of various thermal treatments on CO oxidation activity and determined that a steam treatment can activate low temperature CO oxidation activity of Pt@Al 2 O 3 -CeO 2 . STEM-EDS analysis revealed that thermal treatments led to the co-location of Pt and CeO 2 and temperature programmed-reduction analysis revealed that the steam treatment specifically enhanced CO oxidation activity through surface reduction of the CeO 2 . As a result, we demonstrate the versatility of this encapsulation approach to generate mixed metal-oxide supports with improved metal-support interactions without hindering nanoparticle stability.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The PARADIGM Project: Case Study in Balancing Experiment Uncertainty with Design simplicity

Accurate nuclear data are required for simulations of many applications including nuclear criticality safety. Actinide nuclear data at intermediate energies (from 1 to 100s of keV) are imprecise and inaccurate, because of scarce differential data, and an insufficient theory approach to capture the structures expected in the data to yield evaluated nuclear data, and lack of integral data for proper validation. This is a known deficiency but has proved challenging to address. More specifically, only 5% of integral experiments in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmark suite address intermediate energies (Fig. 1). Associated calculated effective multiplication factor, k eff , values for these experiments are far outside the experimental uncertainties and are 25× further from experiment than for fast energies. These differences could either stem from systematic biases in nuclear data, experiments or both. The goal of the PARADIGM (PARallel Approach of Differential and InteGral Measurements) project is to significantly reduce (by more than tens of percent) the uncertainties of intermediate energy actinide nuclear data. The PARADIGM project designed and intends to execute LANSCE (Los Alamos Neutron Science CEnter) and NCERC (National Criticality Experiments Research Center) intermediate experiments in parallel. They will specifically address a high priority nuclear data need—reducing bias and uncertainty in intermediate plutonium nuclear data. The two experiment will achieve that by informing each other and nuclear theory. By doing all these steps in parallel, the timeline to deliver improved nuclear data to users will significantly be reduced. This work will focus on the integral experiment final design and the balance of design and modeling simplicity while minimizing experiment uncertainty.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Twin Boundaries Contribute to The First Cycle Irreversibility of LiNiO 2

Abstract LiNiO 2 remains a target for layered oxide Li‐ion cathode development as it can theoretically deliver the highest energy density of this materials class. In practice, LiNiO 2 suffers from poor capacity retention due to electrochemically‐induced structural changes. While the impact of Ni off‐stoichiometry on the electrochemical performance has been extensively studied, that of planar defects present in the as‐synthesized cathode is not well understood. Advanced ex situ and operando structure probes are used to identify and quantify point and planar defects present in as‐synthesized Li 1‐y Ni 1+y O 2 cathodes and monitor their evolution during the first cycle. Specifically, a 7 Li nuclear magnetic resonance (NMR) signature characteristic of Li environments near twin boundaries is identified; an assignment supported by first‐principles calculations and scanning transmission electron microscopy (STEM) images of twin boundary defects. The NMR results suggest that the concentration of twin boundaries depends on the amount of Ni excess. Moreover, operando magnetometry and ex situ synchrotron X‐ray diffraction and NMR demonstrate that these planar defects impede Li reinsertion into the bulk cathode at reasonable discharge rates and contribute to the first cycle irreversible capacity. These findings provide new design rules for Li 1‐y Ni 1+y O 2 cathodes, whereby a reduced concentration of twin boundaries in the pristine material leads to reduced kinetic limitations and improved cathode utilization.

Nguyen, H.↗

Evidence of lithium mobility under neutron irradiation

Understanding the evolution of intermetallic materials in high-radiation environments is of great importance for fusion science and national security. Tritium ( 3 H) and lithium ( 6 Li, 7 Li) transport within neutron irradiated claddings coated with aluminide (FeAl3) has been investigated using state-of-the-art multimodal imaging. Specifically, scanning electron microscopy – focused ion beam (SEM-FIB) was used to prepare irradiated coating lift-out samples for follow-on microanalysis. Here, scanning transmission electron microscopy (STEM) was used to acquire atomic-scale information on the carbonaceous structure and elemental mapping. Atomic force microscopy (AFM) was used to determine lift-out dimensions nondestructively. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) spectral and depth profiling show unexpected lithium isotopic distributions in the irradiated cladding, raising an important evidence of possible light isotope mobility within the cladding under elevated temperature and irradiation. ToF-SIMS three-dimensional chemical mappings of mid- and bottom-cladding coatings show light isotopic (e.g., 3 H, 6 Li, 7 Li) distributions in the irradiated coating and give new insights into the fundamental mechanism related to transport mechanisms within the cladding. Multimodal imaging is power to link microstructure, chemistry, and nanoscale defects that impact reliability of these materials. Furthermore, chemical mapping offers observations of the microstructural evolution due to irradiation and provides insights into unexpected material transport under extreme conditions.

36 MATERIALS SCIENCE↗

NASA Missions Inspire Online Video Games

Fast forward to 2035. Imagine being part of a community of astronauts living and working on the Moon. Suddenly, in the middle of just another day in space, a meteorite crashes into the surface of the Moon, threatening life as you know it. The support equipment that provides oxygen for the entire community has been compromised. What would you do? While this situation is one that most people will never encounter, NASA hopes to place students in such situations - virtually - to inspire, engage, and educate about NASA technologies, job opportunities, and the future of space exploration. Specifically, NASA s Learning Technologies program, part of the Agency s Office of Education, aims to inspire and motivate students to pursue careers in the science, technology, engineering, and math (STEM) disciplines through interactive technologies. The ultimate goal of these educational programs is to support the growth of a pool of qualified scientific and technical candidates for future careers at places like NASA. STEM education has been an area of concern in the United States; according to the results of the 2009 Program for International Student Assessment, 23 countries had higher average scores in mathematics literacy than the United States. On the science literacy scale, 18 countries had higher average scores. "This is part of a much bigger picture of trying to grow skilled graduates for places like NASA that will want that technical expertise," says Daniel Laughlin, the Learning Technologies project manager at Goddard Space Flight Center. "NASA is trying to increase the number of students going into those fields, and so are other government agencies."

Source record↗

Descending pathways to the cutaneus trunci muscle motoneuronal cell group in the cat

The descending pathways to the motoneuronal cell group of the cutaneous trunci muscle (CTM) of the cat were investigated by injecting H-3-labeled lucine into the brain stem, the diencephalon, or the C1, C2, C6, and C8 segments of the spinal cord, and examining fixed autoradiographic sections of the spinal cord and brain regions. Results demonstrate presence of specific supraspinal projectons to the CTM motor nucleus originating in the contralateral nucleus retroambiguous and the ipsilateral dorsolateral pontine tegmentum. Results also suggest that propriospinal pathways to the CTM motor nucleus originating in the cervical cord do not exist, although these propriospinal projections to all other motoneuronal cell groups surrounding the CTM nucleus are very strong.

Holstege, Gert↗

Mineralogy

The power of mineralogical analysis as a descriptive or predictive technique stems from the fact that only a few thousand minerals are known to occur in nature as compared to several hundred thousand inorganic compounds. Further, all of the known minerals have specific stability ranges in pressure, temperature, an composition. A specific knowledge of the mineralogy of a planets surface or interior therefore allows one to characterize the present or past conditions under which the minerals were formed or have existed. For the purposes of this paper, a slightly broader definition of mineralogy was adopted by including not only crystalline materials found on planetary surfaces, but also ices and classes that can benefit from in situ types of analyses. Both visual examination and the various spectroscopies available for robotic probes to planetary surfaces are discussed.

Dyar, M. Darby↗

Constraining particle acceleration in Sgr A? with simultaneous GRAVITY, Spitzer, NuSTAR, and Chandra observations

We report the time-resolved spectral analysis of a bright near-infrared and moderate X-ray flare of Sgr A⋆. We obtained light curves in the M, K, and H bands in the mid- and near-infrared and in the 2 − 8 keV and 2 − 70 keV bands in the X-ray. The observed spectral slope in the near-infrared band is νLν ∝ ν0.5 ± 0.2; the spectral slope observed in the X-ray band is νLν ∝ ν−0.7 ± 0.5. Using a fast numerical implementation of a synchrotron sphere with a constant radius, magnetic field, and electron density (i.e., a one-zone model), we tested various synchrotron and synchrotron self-Compton scenarios. The observed near-infrared brightness and X-ray faintness, together with the observed spectral slopes, pose challenges for all models explored. We rule out a scenario in which the near-infrared emission is synchrotron emission and the X-ray emission is synchrotron self-Compton. Two realizations of the one-zone model can explain the observed flare and its temporal correlation: one-zone model in which the near-infrared and X-ray luminosity are produced by synchrotron self-Compton and a model in which the luminosity stems from a cooled synchrotron spectrum. Both models can describe the mean spectral energy distribution (SED) and temporal evolution similarly well. In order to describe the mean SED, both models require specific values of the maximum Lorentz factor γmax, which differ by roughly two orders of magnitude. The synchrotron self-Compton model suggests that electrons are accelerated to γmax ∼ 500, while cooled synchrotron model requires acceleration up to γmax ∼ 5 × 104. The synchrotron self-Compton scenario requires electron densities of 1010 cm−3 that are much larger than typical ambient densities in the accretion flow. Furthermore, it requires a variation of the particle density that is inconsistent with the average mass-flow rate inferred from polarization measurements and can therefore only be realized in an extraordinary accretion event. In contrast, assuming a source size of 1 RS, the cooled synchrotron scenario can be realized with densities and magnetic fields comparable with the ambient accretion flow. For both models, the temporal evolution is regulated through the maximum acceleration factor γmax, implying that sustained particle acceleration is required to explain at least a part of the temporal evolution of the flare.

R. Abuter↗