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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 289 records · Page 16
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NASA NTRS2017

Microfilament-Eruption Mechanism for Solar Spicules

Recent studies indicate that solar coronal jets result from eruption of small-scale filaments, or "minifilaments" (Sterling et al. 2015, Nature, 523, 437; Panesar et al. ApJL, 832L, 7). In many aspects, these coronal jets appear to be small-scale versions of long-recognized large-scale solar eruptions that are often accompanied by eruption of a large-scale filament and that produce solar flares and coronal mass ejections (CMEs). In coronal jets, a jet-base bright point (JBP) that is often observed to accompany the jet and that sits on the magnetic neutral line from which the minifilament erupts, corresponds to the solar flare of larger-scale eruptions that occurs at the neutral line from which the large-scale filament erupts. Large-scale eruptions are relatively uncommon (approximately 1 per day) and occur with relatively large-scale erupting filaments (approximately 10 (sup 5) kilometers long). Coronal jets are more common (approximately 100s per day), but occur from erupting minifilaments of smaller size (approximately 10 (sup 4) kilometers long). It is known that solar spicules are much more frequent (many millions per day) than coronal jets. Just as coronal jets are small-scale versions of large-scale eruptions, here we suggest that solar spicules might in turn be small-scale versions of coronal jets; we postulate that the spicules are produced by eruptions of "microfilaments" of length comparable to the width of observed spicules (approximately 300 kilometers). A plot of the estimated number of the three respective phenomena (flares/CMEs, coronal jets, and spicules) occurring on the Sun at a given time, against the average sizes of erupting filaments, minifilaments, and the putative microfilaments, results in a size distribution that can be fitted with a power-law within the estimated uncertainties. The counterparts of the flares of large-scale eruptions and the JBPs of jets might be weak, pervasive, transient brightenings observed in Hinode/CaII images, and the production of spicules by microfilament eruptions might explain why spicules spin, as do coronal jets. The expected small-scale neutral lines from which the microfilaments would be expected to erupt would be difficult to detect reliably with current instrumentation, but might be apparent with instrumentation of the near future. A full report on this work appears in Sterling and Moore 2016, ApJL, 829, L9.

spicule↗
NASA NTRS2018

The Cause of Faint Coronal Jets from Emerging-Flux Regions in Solar Coronal Holes

Coronal jets are transient thin bursts of magnetically channeled solar material from the surface into the corona. They are brightest at their base, with a bright point (jet bright point, JBP) at an edge of the base. Early studies (Shibata et al. 1992) suggested that jets result from magnetic flux emergence: a small bipole emerges into unipolar ambient field, driving the jet and forming the JBP via interchange reconnection. More recent studies, using higher-cadence, higher-resolution, and broader wavelength coverage than before, show that prominent coronal jets are usually driven by a minifialment eruption (Sterling et al. 2015), and that, rather than flux emergence, flux cancelation usually prepares and triggers the eruption (Panesar et al. 2016). Here, we analyzed eight emerging flux regions to determine whether the emerging flux directly drove any coronal jets. We used EUV images from the Solar Dynamics Observatory (SDO)/Atmospheric Imaging Assembly (AIA) (in 304, 171, 211, 193, and 94 Å channels), and magnetograms from SDO/Helioseismic & Magnetic Imager (HMI). All eight regions produced jet-like features that were weak in intensity (“faint jets’’), by which we mean they were so faint that we likely would not have identified them as jets had we initially searched for jets in AIA movies alone (as in, e.g., Panesar et al. 2016, Moore et al. 2013) without knowing whether the base was an emerging bipole. In seven of the eight regions, all jets (faint or prominent) erupted from locations where one leg of the emerging bipole was evidently canceling with an ambient opposite-polarity flux clump. The eighth case, the one that had the fastest flux emergence, possibly made faint jets by the flux-emergence mechanism, but these too might instead have resulted from flux cancelation.

Harden, Abigail R.↗
NASA NTRS2019

A CME-Producing Solar Eruption from the Interior of an Emerging Bipolar Active Region

In a negative-polarity coronal hole, magnetic flux emergence, seen by the Solar Dynamics Observatory's {SDO) Helioseismic Magnetic lmager (HMI), begins at approximately 19:00 UT on March 3, 2016. The emerged magnetic field produced sunspots, which NOAA numbered 12514 two days later. The emerging magnetic field is largely bipolar with the opposite-polarity fluxes spreading apart overall, but there is simultaneously some convergence and cancellation of opposite-polarity flux at the polarity inversion line (PIL) inside the emerging bipole. In the first fifteen hours after emergence onset, three obvious eruptions occur, observed in the coronal EUV images from SDO's Atmospheric Imaging Assembly (AIA). The first two erupt from separate segments of the external PIL between the emerging positve-polarity flux and the extant surrounding negative-polarity flux, with the exploding magnetic field being prepared and triggered by flux cancellation at the external PIL. The emerging bipole shows obvious overall left-handed shear and/or twist in its magnetic field. The focus of th is poster is the third and largest eruption, which comes from inside the emerging bipole and blows it open to produce a CME observed by SOHO/LASCO. That eruption is preceded by flux cancellation at the emerging bipole's interior PIL, cancellation that plausibly builds a sheared and twisted flux rope above the interior PIL and finally triggers the blow-out eruption of the flux rope via photospheric-convection•driven slow tether-cutting reconnection of the legs of the sheared core field, low above the interior PIL, as proposed by van Ballegooijen & Martens (1989) and Moore & Roumeliotis (1992). The production of this eruption is a (perhaps rare) counterexample to solar eruptions that result from external collisional shearing between opposite polarities from two distinct emerging and/or emerged bipoles (Chintzoglou et al. 2019).

Adams, M. L.↗
NASA NTRS2019

A CME-Producing Solar Eruption from the Interior of a Twisted, Emerging Bipole

In a negative-polarity coronal hole, magnetic flux emergence, seen by the Solar Dynamics Observatory's (SDO) Helioseismic Magnetic Imager (HMI), begins at approximately 19:00 UT on March 3, 2016. The emerged magnetic field produced sunspots with penumbrae by 3:00 UT on March 4, which are a part of NOAA 12514. The emerging magnetic field is largely bipolar with the opposite-polarity fluxes spreading apart overall, but there is simultaneously some convergence and cancellation of opposite-polarity flux at the polarity inversion line (PIL) inside the emerging bipole. The emerging bipole shows obvious overall left-handed shear and/or twist in its magnetic field and corresponding clockwise rotation of the two poles of the bipole about each other as the bipole emerges. The eruption comes from inside the emerging bipole and blows it open to produce a CME observed by SOHO/LASCO. That eruption is preceded by flux cancellation at the emerging bipole's interior PIL, cancellation that plausibly builds a sheared and twisted flux rope above the interior PIL and fnally triggers the blow-out eruption of the flux rope via photospheric-convection-driven, slow tether-cutting reconnection of the legs of the sheared core field, low above the interior PIL, as proposed by van Ballegooijen and Martens (1989, ApJ, 343, 971) and Moore and Roumeliotis (1992, in Eruptive Solar Flares, ed. Z. Svestka, B.V. Jackson, and M.E. Machado [Berlin:Springer], 69). The production of this eruption is a (perhaps rare) counterexample to solar eruptions that result from external collisional shearing between opposite polarities from two distinct emerging and/or emerged bipoles (Chintzoglou et al., 2019, ApJ, 871:67).

Adams, Mitzi L.↗
NASA NTRS2019

Onset of the Magnetic Explosion in On-Disk Solar Coronal Jets

In our recent studies of ~10 quiet region and ~13 coronal hole coronal jets, we found that flux cancelation is the fundamental process in the buildup and triggering of the minifilament eruption that drives the production of the jet. Here, we investigate the onset and growth of the ten on-disk quiet region jets, using EUV images (304, 171, 193, and 94 Å) from SDO/AIA and magnetograms from SDO/HMI. We find that: (i) in all ten events the minifilament starts to rise at or before the onset of the signature of internal or external reconnection; (ii) in two out of ten jets brightening from the external reconnection starts at the same time as the slow rise of the minifilament and (iii) in six out of ten jets brightening from the internal reconnection starts before the start of the brightening from external reconnection. These observations show that the magnetic explosion in coronal jets begins in the same way as the magnetic explosion in filament eruptions that make solar flares and coronal mass ejections (CMEs). Our results indicate (1) that coronal jets are miniature versions of CME-producing eruptions and flux cancelation is the fundamental process that builds and triggers both the small-scale and the large-scale eruptions, and (2) that, contrary to the view of Moore et al (2018), the current sheet at which the external reconnection occurs in coronal jets usually starts to form at or after the onset of (and as a result of) the slow rise of the minifilament flux-rope eruption, and so is seldom of appreciable size before the onset of the slow rise of the minifilament flux-rope eruption.

Panesar, Navdeep K.↗
NASA NTRS2020

TPSAS-NF1676L-35856-DND

Southeast Virginia sits under one of the major flight corridors of the eastern U.S., and it’s not unusual to look up and see streaks of line-shaped clouds crisscrossing the sky. These aircraft-made condensation trails, or contrails for short, form when the hot water vapor in the jet engine exhaust cools and condenses onto soot and other atmospheric particles. What’s remarkable about these clouds is that they can have a significant impact on our regional and global climate. In fact, the climate effects of contrails are thought to be more important than the impact from all of the carbon dioxide emitted from aviation ever! Researchers at NASA’s Langley Research Center are exploring how new, bio-based jet fuels can reduce the amount of soot emitted from the aircraft engines and decrease the climate impact of contrail cirrus clouds. Join Dr. Rich Moore as he highlights the exciting results from recent formation flight experiments conducted by NASA and international collaborators.

Richard Moore↗
NASA NTRSDate not supplied

Transient Aircraft Soot Emissions Indicate That Steady-State Measurements Likely Underestimate Real-World, Take-Off Emissions: Time-Varying Aircraft Take-Off Emissions Indices Measured at Los Angeles International Airport

Aircraft engine emissions are unique among mobile pollution sources in that their impacts affect the local air quality near airports as well as upper tropospheric composition and climate over regional-to-hemispheric scales. Furthermore, air travel and its resulting emissions are expected to rebound from the recent COVID-related lows to increase dramatically over the next several decades. Given the multi-decade service lifetime of many commercial aircraft, it is critically important to quantitatively understand the real-world emissions coming from these engines in order to inform environmental assessment and modelling activities. Here, we present a detailed analysis of aircraft emissions during take-off operations at Los Angeles International Airport. The data were collected as part of the NASA Alternative Fuel Effects on Contrails and Cruise Emissions (ACCESS) project in May 2014, and the dataset is publicly available as described by Moore et al. [1]. In particular, we focus on the time-varying nature of the plume concentrations where clear differences in particle size and non-volatile particle fraction are observed during the early portion of the take-off plume relative to the later portion of the plume. We compare the transient emissions indices measured here to engine certification values in the International Civil Aviation Organization (ICAO) Emissions Databank, which suggests that steady-state measurements may underestimate the real-world, non-volatile particle emissions. The implications of this finding for modelling aircraft particle emissions will be discussed.

Richard H. Moore↗
NASA NTRSDate not supplied

Solar Active Region Coronal Jets: Hidden-onset Jets

Solar quiet- and coronal-hole region coronal jets frequently clearly originate from erupting minifilaments, but active-region jets often lack an obvious erupting-minifilament source. We observe a coronal-jet-productive active region (AR), AR12824, over 2021 May 22 0–8 UT, primarily using Solar Dynamics Observatory (SDO) Atmospheric Imaging Array (AIA) EUV images and SDO/Helioseismic and Magnetic Imager magnetograms. Jets were concentrated in two locations in the AR: on the south side and on the northwest side of the AR’s lone large sunspot. The south-location jets are oriented so that we have a clear view of the jets’ origin low in the atmosphere: their source is clearly minifilaments erupting from locations showing magnetic flux changes/cancelations. After erupting a projected distance ~5ʹʹ away from their origin site, the minifilaments erupt outward onto far-reaching field as part of the jet’s spire, quickly losing their minifilament character. In contrast, the northwest-location jets show no clear erupting minifilament, but the source site of those jets are obscured along our line of sight by absorbing chromospheric material. EUV and magnetic data indicate that the likely source sites were ~15ʹʹ from where the we first see the jet spire; thus, an erupting minifilament would likely lose its minifilament character before we first see the spire. We conclude that such AR jets could work like non-AR jets, but the erupting-minifilament jet source is often hidden by obscuring material. Another factor is that magnetic eruptions making some AR jets carry only a harder-to-detect comparatively thin (∼1ʹʹ–2ʹʹ) minifilament “strand.” A full report appears in Sterling, Moore, & Panesar (2024, ApJ, 960, 109).

Alphonse C. Sterling↗
DOE OSTI2022

Recent Developments in the WEC-Sim Open-Source Design Tool: Preprint

WEC-Sim (Wave Energy Converter SIMulator) is an open-source code for simulating wave energy converters, which has been actively developed and applied to simulate a wide variety of device archetypes and has become a popular tool since its initial release in 2014. WEC-Sim is developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (SNL) within the MATLAB/SIMULINK environment. Figure 1 illustrates a general wave-to-wire model which begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of a single WEC (or array), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modelling the entire wave-to-wire is difficult and encompass multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM) based-frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). Within this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Table 1 lists additional WEC-Sim functionalities, which are created using prebuilt Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems.

hydrodynamics modeling↗
DOE OSTI2023

Advancing the Theory of Nuclear Data Evaluations [Abstract]

We present recent advances in the R-matrix formalism as well as the Bayesian evaluation framework for improved nuclear data evaluations. The advances in the R matrix formalism include: 1) direct processes, 2) doorway, as well as multistep, processes, and 3) various forms of the Reich-Moore approximation for eliminated capture channels. Furthermore, to address unreasonably small posterior uncertainties often encountered in nuclear data evaluations of large data sets using the conventional form of the Bayes’ theorem, we introduce imperfections (of the data or the model) as a formal evaluation tool for taming the evaluated uncertainties in harmony with Bayes’ theorem. These theoretical advances were motivated by the nuclear data evaluations of differential resolved resonance cross section data using the code SAMMY, as well as the integral benchmark experiments using the SCALE code system, being performed at Oak Ridge National Laboratory for the Nuclear Criticality Safety Program. Some pedagogical applications of the new formalism, as well as a snapshot of the SAMMY modernization efforts, will be presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

3D Quantum Anomalous Hall Effect in Magnetic Topological Insulator Trilayers of Hundred‐Nanometer Thickness

Magnetic topological states refer to a class of exotic phases in magnetic materials with the non-trivial topological property determined by magnetic spin configurations. An example of such states is the quantum anomalous Hall (QAH) state, which is a zero magnetic field manifestation of the quantum Hall effect. Current research in this direction focuses on QAH insulators with a thickness of less than 10 nm. Here, molecular beam epitaxy (MBE) is employed to synthesize magnetic TI trilayers with a thickness of up to ≈106 nm. It is found that these samples exhibit well-quantized Hall resistance and vanishing longitudinal resistance at zero magnetic field. By varying the magnetic dopants, gate voltages, temperature, and external magnetic fields, the properties of these thick QAH insulators are examined and the robustness of the 3D QAH effect is demonstrated. The realization of the well-quantized 3D QAH effect indicates that the nonchiral side surface states of the thick magnetic TI trilayers are gapped and thus do not affect the QAH quantization. The 3D QAH insulators of hundred-nanometer thickness provide a promising platform for the exploration of fundamental physics, including axion physics and image magnetic monopole, and the advancement of electronic and spintronic devices to circumvent Moore's law.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Lossless Phonon Transition Through GaN‐Diamond and Si‐Diamond Interfaces

Abstract Advancing Silicon (Si) technology beyond Moore's law through 3D architectures requires highly efficient heat management methods compatible with foundry processes. While continued increases in transistor density can be achieved through 3D architectures, self‐heating in the upper tiers degrades the performance. Self‐heating is a critical problem for high‐power, high‐frequency, wide bandgap, and ultra‐wide bandgap devices as well. Diamond, known for its exceptional thermal conductivity, offers a viable solution in both these cases. Since thermal boundary resistance (between the channel/junction and diamond plays a crucial role in overall thermal resistance, this study investigates various dielectrics for interface engineering, such as Silicon dioxide (SiO 2 ), amorphous‐ Silicon Carbide (a‐SiC), and Silicon Nitride (SiN x ), to make a phonon bridge at gallium nitride (GaN)‐diamond and Si‐diamond interfaces. The a‐SiC interlayer reduces diamond/GaN (<5 m 2 K per GW) and diamond/Si (<2 m 2 K per GW) thermal boundary resistances by linking low‐ and high‐frequency phonons, boosting phonon transport through the interface. Engineered interfaces enhance heat spreading from the channel/junction and rule out premature failure.

Malakoutian, Mohamadali↗
DOE OSTI2024

OC6 Phase IV: Validation of CFD Models for Stiesdal TetraSpar Floating Offshore Wind Platform

ABSTRACT With only a few floating offshore wind turbine (FOWT) farms deployed anywhere in the world, FOWT technology is still in its infancy, building on a modicum of real‐world experience to advance the nascent industry. To support further development, engineers rely heavily on modeling tools to accurately portray the behavior of these complex systems under realistic environmental conditions. This reliance creates a need for verification and validation of such tools to improve reliability of load and dynamic response prediction and analysis capabilities of FOWT systems. The Offshore Code Comparison Collaboration, Continued with Correlation and unCertainty (OC6) project was created under the framework of the International Energy Agency to address this need and considers a three‐sided verification and validation between engineering level models, computational fluid dynamics (CFD), and experimental results. In this paper, a novel floating offshore wind platform, the Stiesdal TetraSpar, is simulated using CFD under the load conditions defined by Phase IV of the OC6 project. The comparison of these CFD results against the experimental results demonstrated the ability to predict the platform response to waves when imposing the measured wave signals as input. Although validation versus experiment was largely successful, the damping behavior was impacted by uncertainties likely originating from the mooring system and sensor umbilical cable. This extensive comparison effort with multiple CFD practitioners offers insight into best practices to achieve reliable results.

17 WIND ENERGY↗
DOE OSTI2025

ReSpike: A Co-Design Framework for Evaluating SNNs on ReRAM-Based Neuromorphic Processors

With Moore’s law approaching its end, traditional von Neumann architectures are struggling to keep up with the exceeding performance and memory requirements of artificial intelligence and machine learning algorithms. Unconventional computing approaches such as neuromorphic computing that leverage spiking neural networks (SNNs) to perform computation are gaining traction and seek the paradigm shift necessary to sustain the increasing demands of modern applications. Novel memory technologies, such as resistive RAM (ReRAM), employ a crossbar architecture that possesses the inherent capability of efficiently computing vector-matrix multiplication—a dominant operation in SNNs. The prospect of naturally mapping SNNs to the crossbar structures provides a unique opportunity for achieving a high-performance, power-efficient neuromorphic system. In this work, we present ReSpike, which is a new framework, behavioral simulator, and architectural design based on ReRAM crossbar architectures, enabling modeling and co-design to achieve efficient execution of SNNs. We drive this co-design forward by quantifying the impact that ReRAM cell nonidealities have on the corresponding accuracy of an SNN application.

Asifuzzaman, Kazi [ORNL] (ORCID:0000000240044791)↗
DOE OSTI2025

Characterizing GPU Energy Usage in Exascale-Ready Portable Science Applications

We characterize the GPU energy usage of two widely adopted exascale-ready applications representing two classes of particle and mesh solvers: (i) QMCPACK, a quantum Monte Carlo package, and (ii) AMReX-Castro, an adaptive mesh astrophysical code. We analyze power, temperature, utilization, and energy traces from double-/single (mixed)-precision benchmarks on NVIDIA’s A100 and H100 and AMD’s MI250X GPUs using queries in NVML and rocm_smi_lib, respectively. We explore application-specific metrics to provide insights on energy vs. performance trade-offs. Our results suggest that mixed-precision energy savings range between 6–25% on QMCPACK and 45% on AMReX-Castro. Also, we found gaps in the AMD tooling used on Frontier GPUs that need to be understood, while query resolutions on NVML have little variability between 1 ms-1 s. Overall, application level knowledge is crucial to define energy-cost/science-benefit opportunities for the codesign of future supercomputer architectures in the post-Moore era.

Godoy, William [ORNL] (ORCID:0000000225905178)↗
DOE OSTI2021

Recent developments on 2D magnetic materials: challenges and opportunities

The emergence of two-dimensional (2D) magnetic materials exhibiting strong magnetization at ultrathin limits above room temperature are promising for miniaturization of devices beyond Moore’s law for future energy efficient nano-electronic devices. Here, the current status, different mechanisms for the existence of magnetism, spin current injection and other magnetic properties of monolayer to few-layers of various 2D magnetic materials are reviewed. Some of the promising applications of these materials are spintronics devices such as spin valves, spin tunnel field-effect transistors, and spin filtering magnetic tunnel junctions. Due to the tunable electronic properties of these 2D materials, it's quite interesting to inject the spin current with suitable ferromagnetic contacts. For instance,black phosphorus is a layered material with a small Schottky barrier height capable of injecting spin current. This review includes many recently explored 2D magnetic materials ranging from exfoliated 2D crystals to CVD grown materials from single to several layers, demonstrating tunable layer dependent magnetic properties. We also explore some of the promising theoretical study based on 2D magnetic compounds such as 2D alkali-based chromium chalcogenides, which shows ferromagnetic as well as semiconducting behavior. The layer-dependent magnetic ordering has been observed in layered compounds like 1T-CrTe 2 , VSe 2 , CrI 3 , and Fe 3 GeTe 2 , which have great potential for the future applications in magnetic based electronic devices. Finally, we emphasize the challenges, opportunities and future directions of the 2D magnetic materials, where new discoveries might have outstanding impact in transformational scientific breakthroughs towards memory, spintronics, optoelectronics and other multifunctional device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A new 181 Ta neutron resolved resonance region evaluation

A new 181 Ta neutron resolved resonance region evaluation has been performed from the thermal energy range up to approximately 2.5 keV. The R-matrix SAMMY code was used with the Reich–Moore approximation to evaluate resonance parameters from several experimental data sets. A Monte Carlo approach was used for resonance spin assignments and generating 59 small fictitious resonance levels which were shown to improve the cumulative level, Porter-Thomas, and Wigner distributions as compared to theoretical predictions. Covariance information was also generated for the entire resolved resonance region. Finally, the positive impact of the new evaluation was validated through benchmark calculations which were sensitive to the 181 Ta cross section and showed improvement in the reactivity bias for several benchmark cases.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Information theory optimization of signals from small-angle scattering measurements

Small-angle X-ray scattering (SAXS) of particles in solution informs on the conformational states and assemblies of biological macromolecules (bioSAXS) outside of cryo- and solid-state conditions. In bioSAXS, the SAXS measurement under dilute conditions is resolution limited, and through an inverse Fourier transform, the measured SAXS intensities directly relate to the physical space occupied by the particles via the P (r)-distribution. Yet, this inverse transform of SAXS data has been historically cast as an ill-posed, ill-conditioned problem requiring an indirect approach. Here, we show that through the applications of matrix and information theories, the inverse transform of SAXS intensity data is a well-conditioned problem. The so-called ill-conditioning of the inverse problem is directly related to the Shannon number. By exploiting the oversampling enabled by modern detectors, a direct inverse Fourier transform of the SAXS data is possible, provided the recovered information does not exceed the Shannon number. The Shannon limit corresponds to the maximum number of significant singular values that can be recovered in a SAXS experiment, suggesting this relationship is a fundamental property of band-limited inverse integral transform problems. This correspondence reduces the complexity of the inverse problem to the Shannon limit and maximum dimension. We propose a hybrid scoring function using an information theory framework that assesses both the quality of the model-data fit as well as the quality of the recovered P (r)-distribution. The hybrid score utilizes the Akaike information criteria and Durbin-Watson statistic that considers parameter-model complexity, i.e., degrees of freedom, and the randomness of the model-data residuals. The described tests and findings extend the boundaries for bioSAXS by completing the information theory formalism initiated by Peter B. Moore to enable a quantitative measure of resolution in SAXS, robustly determine maximum dimension, and more precisely define the best parameter model appropriately representing the observed scattering data.

Rambo, Robert P. [Science and Technology Facilitie↗