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At least 307 records · Page 17

Geophysical Impacts and Spectroscopic Identification of a Hydrous Iron Sulfate on Icy Worlds

Over geologic time-scales, large volumes of exogenic sulfur ions from Io's plasma torus have been supplied to the surface of Europa and Ganymede, which, combined with recent interpretations of orbiter images, dynamical modeling, and surface-subsurface exchange, suggests further sulfur transport into the interior of the icy worlds. These observations motivate mixed-phase spectral modeling for interpreting orbiter spectroscopy data and determination of hydration states of candidate surface materials including hydrous sulfates. In this work, we present a combined experimental and theoretical study of the low temperature and high pressure vibrational spectral signature of the iron-sulfate monohydrate endmember, szomolnokite (FeSO 4 ·H 2 O). By employing synchrotron Fourier-transform infrared spectroscopy (FTIR) in the diamond anvil cell up to 23 GPa and down to 20 K, we explore the extreme range of pressure-temperature domains relevant to icy environments throughout our solar system and beyond. Combined with our density-functional theory quantum-mechanics molecular dynamics results, we demonstrate that experimentally observed infrared features in the O-H stretching region commonly associated with nH 2 O (n > 1) hydration states can be attributed to a pure monohydrate without the need for pressure-induced exsolved ice, other coexisting hydrous iron sulfates, or strong overtone and combination modes. We further discuss the possibility of lateral variations in density and shear properties on icy worlds associated with temperature variations and the high-pressure phases of kieserite group monohydrated sulfates.

Geosciences↗

IN SITU PLASMA PROCESSING OF SUPERCONDUCTING CAVITIES AT JLAB, 2023 UPDATE

Jefferson Lab has an ongoing R&D program in plasma processing which just completed a round of production processing in the CEBAF accelerator. Plasma processing is a common technique for removing hydrocarbons from surfaces, which increases the work function and reduces the secondary emission coefficient. The initial focus of the effort was processing C100 cavities by injecting RF power into the higher order mode (HOM) coupler ports. Results from processing cryomodules in the CEBAF accelerator as well as vertical test results will be present-ed. The goal of in-situ processing is to improve the operational gradients and the energy margin of the linacs. This work will describe the systems and methods used at JLAB for processing cavities using an argon-oxygen gas mixture as well as a helium-oxygen gas mixture. Before and after plasma processing results will also be presented.

Powers, Thomas↗

Phonon-mediated lipid raft formation in biological membranes

Short-wavelength collective molecular motions, also known as phonons, have recently attracted much interest in revealing dynamic properties of biological membranes through the use of neutron and x-ray scattering, infrared and Raman spectroscopies, and molecular dynamics simulations. Experimentally detecting unique vibrational patterns such as, shear phonon excitations, viscoelastic crossovers, transverse acoustic phonon gaps, and continuous and truncated optical phonon modes in cellular membranes, to name a few, has proven non-trivial. Here, we review recent advances in liquid thermodynamics that have resulted in the development of the phonon theory of 1 liquids. The theory has important predictions regarding the shear vibrational spectra of fluids, namely the emergence of viscoelastic crossovers and transverse acoustic phonon gaps. Furthermore, we show that these vibrational patterns are common in soft (non-crystalline) materials, including, but not limited to liquids, colloids, liquid crystals (mesogens), block copolymers, and biological membranes. The existence of viscoelastic crossovers and acoustic phonon gaps define the self-diffusion properties of cellular membranes and provide a molecular picture of the transient nature of lipid rafts.1 Importantly, the timescales (picoseconds) for the formation and dissolution of transient lipid rafts match the lifetime of the formation and breakdown of interfacial water hydrogen bonds. Apart from acoustic propagating phonon modes, biological membranes can also support more energetic non-propagating optical phonon excitations, also known as standing waves or breathing modes. Importantly, optical phonons can be truncated due to the existence of finite size nanodomains made up of strongly correlated lipid-cholesterol molecular pairs. These strongly coupled molecular pairs can serve as nucleation centers for the formation of stable rafts at larger length scales, due to correlations of spontaneous fluctuations (Onsager’s regression hypothesis). Finally and importantly, molecular level viscoelastic crossovers, acoustic phonon gaps, and continuous and truncated optical phonon modes may offer insights as to how lipid-lipid and lipid-protein interactions enable biological function.

59 BASIC BIOLOGICAL SCIENCES↗

Protonic Ceramics for Energy Storage & Electricity Generation with Ammonia (Final Report)

The commercial product resulting from this R&D project will enable cost-effective synthesis of the Carbon Neutral Liquid Fuel (CNLF) ammonia, a common chemical, at a small scale for energy and industrial applications using only intermittent renewable energy, water, and air as feedstocks. These products are also capable of producing electrical energy from the CNLF in a fuel cell mode of operation. Thus, the eventual commercial product enables both single direction production of either CLNF or electricity, or alternatively functions as a fully reversible, self-contained energy storage device. The renewed interest in developing electrolysis systems is driven, in part, by the burgeoning renewable, solar, and wind industries and the need for an energy conversion and storage technology that can convert intermittent solar and wind energy into the production of hydrogen. Electrolysis systems integrated into both distributed and central renewable power plants would utilize solar and wind energy as their primary power source to produce renewably generated hydrogen for local energy storage or chemical feedstock purposes. Ammonia is an excellent surrogate for hydrogen transportation. NH3 presents an attractive alternative to hydrogen as a working fluid in reversible devices towards a sustainable green energy-oriented future. Ammonia can be easily liquefied at room temperature at about 8 bar or at -33°C at ambient pressure. In contrast, the liquefaction temperature of hydrogen is -253°C at ambient pressure. NH3 has a significantly higher volumetric energy density (12.7 MJ/L) than compressed hydrogen (4.5 MJ/L at ~70 MPa) or liquefied hydrogen (8.5 MJ/L). Additionally, ammonia is a widely used raw material for agriculture fertilizer and thus has well-established storage, transport, and handling processes (about 180 million tons of ammonia are produced annually). Techno-economic analysis suggests ammonia is the least expensive fuel among hydrogen, gasoline, natural gas, liquefied petroleum gas, and methanol.

08 HYDROGEN↗

Diffraction of radio-frequency waves by plasma turbulence in the edge of a tokamak

The Mie-Lorenz-Debye theory of scattering of radio frequency waves (RF) by filamentary structures in the edge of a tokamak plasma has been established in prior publications. These results have been verified. Theory and computations show that RF can be reflected, refracted, and diffracted by turbulence. Furthermore, the filamentary structures lead to side scattering of waves and excitation of wave modes different from the launched RF. It is important to quantify the overall effect of turbulence on the propagation of RF since efficiency of heating and current drive by RF waves depends upon the wave characteristics. The commonly used RF ranges vary from the low frequency ion-cyclotron (IC) waves, to medium frequency lower-hybrid (LH) waves, to high-frequency electron cyclotron (EC) waves with wavelengths respectively, large, comparable, or smaller than the radial dimensions of the filaments. Currently, we discuss the scattering as well as the forces exerted by different RF in the edge plasma. Also, we present a code for 3D full wave scattering analysis of arbitrary tensor permittivity and plasma density profiles. The study is applicable to ITER-like plasmas, as well as to plasmas in medium sized tokamaks such as TCV, ASDEX-U and DIII-D and high field concepts like SPARC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Failure Mechanism Traceability and Application in Human System Interface of Nuclear Power Plants using RESHA

In recent years, there has been considerable effort to modernize existing and new nuclear power plants with digital instrumentation and control systems (DI&C). However, there has also been considerable concern both by industry and regulatory bodies for the risk and consequence analysis of these systems. Of particular concern are digital common cause failures (CCFs) specifically related to software defects. These “misbehaviors” by the software can occur in both the control and monitoring of a system. While many new methods have been proposed to identify potential software failure modes, such as Systems-theoretic Process Analysis (STPA), Hazard and Consequence Analysis for Digital Systems (HAZCADS), etc., these methods are focused primarily on the control action pathway of a system. In contrast, the information feedback pathway lacks unsafe control actions (UCAs), which are typically related to software basic events; thus, assessment of software basic events in such systems is unclear. In this work, we present the idea of intermediate processors and unsafe information flow (UIF) to help safety analysts trace failure mechanisms in the feedback pathway and how they can be integrated into a fault tree for improved assessment capability. The concepts presented are demonstrated in two comprehensive case studies, a smart sensor integrated platform for unmanned autonomous vehicles and another on a representative advanced human system interface (HSI) for safety critical plant monitoring. The qualitative software basic events are identified, and a fault tree analysis is conducted based on a modified Redundancy-guided Systems-theoretic Hazard Analysis (RESHA) methodology. The case studies demonstrate the use of UIF and intermediate processors in the fault tree to improve traceability of software failures in highly complex digital instrumentation feedback. The improved method can also clarify fault tree construction when multiple component dependencies are present in the system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Failure Mechanism Traceability and Application in Human System Interface of Nuclear Power Plants using RESHA

In recent years, there has been considerable effort to modernize existing and new nuclear power plants with digital instrumentation and control systems (DI&C). However, there has also been considerable concern both by industry and regulatory bodies for the risk and consequence analysis of these systems. Of particular concern are digital common cause failures (CCFs) specifically related to software defects. These “misbehaviors” by the software can occur in both the control and monitoring of a system. While many new methods have been proposed to identify potential software failure modes, such as Systems-theoretic Process Analysis (STPA), Hazard and Consequence Analysis for Digital Systems (HAZCADS), etc., these methods are focused primarily on the control action pathway of a system. In contrast, the information feedback pathway lacks unsafe control actions (UCAs), which are typically related to software basic events; thus, assessment of software basic events in such systems is unclear. In this work, we present the idea of intermediate processors and unsafe information flow (UIF) to help safety analysts trace failure mechanisms in the feedback pathway and how they can be integrated into a fault tree for improved assessment capability. The concepts presented are demonstrated in two comprehensive case studies, a smart sensor integrated platform for unmanned autonomous vehicles and another on a representative advanced human system interface (HSI) for safety critical plant monitoring. The qualitative software basic events are identified, and a fault tree analysis is conducted based on a modified Redundancy-guided Systems-theoretic Hazard Analysis (RESHA) methodology. The case studies demonstrate the use of UIF and intermediate processors in the fault tree to improve traceability of software failures in highly complex digital instrumentation feedback. The improved method can also clarify fault tree construction when multiple component dependencies are present in the system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Neutrino flavor instabilities in neutron star mergers with moment transport: Slow, fast, and collisional modes

Determining where, when, and how neutrino flavor oscillations must be included in large-scale simulations of hot and dense astrophysical environments is an enduring challenge that must be tackled to obtain accurate predictions. Here, using an angular moment-based linear stability analysis framework, we examine the different kinds of flavor instabilities that can take place in the context of the postprocessing of a neutron star merger simulation, with a particular focus on the collisional flavor instability and a careful assessment of several commonly used approximations. First, neglecting anisotropies of the neutrino field, we investigate the extent to which commonly used monoenergetic growth rates reproduce the results obtained from a full multienergy treatment. Contrary to the large discrepancies found in core-collapse supernova environments, we propose a simple combination of energy-averaged estimates that reproduces the multienergy growth rates in our representative simulation snapshot. We then quantify the impact of additional physical effects, including nuclear many-body corrections, scattering opacities, and the inclusion of the vacuum term in the neutrino Hamiltonian. Finally, we include the neutrino distribution anisotropies, which allows us to explore, for the first time in a multienergy setting, the interplay between collisional, fast, and slow modes in a moment-based neutron star merger simulation. We find that, despite a dominance of the fast instability in most of the simulation volume, certain regions exhibit only a collisional instability, while others, especially at large distances, exhibit a slow instability that is largely underestimated if anisotropic effects are neglected.

neutrino oscillations↗

Ineffectiveness of formamidine in suppressing ultralow thermal conductivity in cubic hybrid perovskite FAPbI 3

Understanding lattice dynamics and thermal transport mechanisms in cubic hybrid organic–inorganic perovskites remain challenging due to strong anharmonicity and phase transitions. Here, we investigate the thermal transport behavior in benchmark cubic hybrid perovskite FAPbI 3 by coupling first principles-based anharmonic lattice dynamics with a linearized Wigner transport equation. Using the Temperature-Dependent Effective Potential (TDEP) method, we stabilize the negative soft modes, primarily dominated by organic FA + cations. Our calculations predict an ultra-low thermal conductivity of ~$0.63\,{\rm{W}}{{\rm{m}}}^{-1}{{\rm{K}}}^{-1}$ at 300 K, following a temperature dependence of T −0.740 . Contrary to common assumptions, we find that the [PbI 3 ] 1- units, rather than FA + cations, dominate thermal resistance. Furthermore, we demonstrate that anharmonic force constants are highly temperature-sensitive, relying on 0-K force constants significantly underestimates thermal conductivity. Our study not only elucidates the microscopic mechanisms governing thermal transport in FAPbI 3 but also provides a robust framework for modeling heat conduction in hybrid organic-inorganic compounds.

Zheng, Jiongzhi [Dartmouth College, Hanover, NH (U↗

Stochastic Microgrid Scheduling With Chance‐Constrained Resilience Consideration

Traditionally, it is assumed that microgrids transition seamlessly from grid‐connected operation to islanded mode in the event of sudden main grid outages. In reality, the islanding process, especially unintentional islanding, is rarely seamless. Instead, it is subject to voltage and frequency fluctuations caused by the instantaneous disconnection of the point of common coupling (PCC) switch, variations in loads and renewable generation output and even the protection tripping of distributed energy resources (DERs). To mitigate these fluctuations and facilitate a smooth islanding process, we propose a stochastic microgrid scheduling model that incorporates chance‐constrained resilience measures. Specifically, the resilience measure is defined as the probability of successful islanding (PSI), that is, the probability that a microgrid can mitigate the generation‐demand imbalance caused by the disconnection of the PCC switch, variations in load and renewable generation and DER tripping. This measure is modelled using chance constraints. Unlike existing reliability and resilience indices, which typically neglect the possibility of microgrid/DER failure under extreme events and assume their survival while primarily focussing on reducing impact duration or magnitude, the proposed PSI‐based framework explicitly addresses microgrid and DER survival during the islanding transition. The formulated nonlinear chance constraints are approximated using a multiinterval approach and equivalently represented as a mixed‐integer linear programming (MILP) formulation. Case study results validate the proposed method, showing that the PSI estimation error is reduced to less than 8%, compared to approximately 28% with existing methods. Various sensitivity analyses on the DER tripping rate and PSI settings were performed to validate the robustness of the proposed method. In particular, the necessity of accounting for DER tripping in the PSI calculation was demonstrated.

chance constrained optimization↗

Multiple monoenergetic gamma radiography (MMGR) with a compact superconducting cyclotron

Smuggling of special nuclear materials and nuclear devices through borders and ports of entry constitutes a major risk to global security. Technologies are needed to reliably screen the flow of commerce for the presence of high-Z materials such as uranium and plutonium. Here, we present an experimental proof-of-concept of a technique that uses inelastic (p,p') nuclear reactions to generate monoenergetic photons, which provide means to measure the areal density and the effective-Z (Z eff ) of an object with an accuracy surpassing that achieved by current methods. We use an ION-12 SC superconducting 12 MeV proton cyclotron to produce 4.4, 6.1, 6.9, and 7.1 MeV photons from a variety of nuclear reactions. Using these photons in a transmission mode, we show that we are able to accurately reconstruct the areal densities and Zeff of a test object. This methodology could enable mobile applications to screen commercial cargoes with high material specificity, providing a means of distinguishing common cargo materials from high-Z materials that include uranium and plutonium.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Mechanisms of paint bake response in resistance spot-welded first and third generation AHSS

Implementation of 3rd generation advanced high strength steels (3GAHSS) in automotive structures requires careful consideration of joining process implications. Due to the presence of increased carbon equivalent in 3GAHSS such as 980 HF relative to commonly-applied 1st generation AHSS such as 980 DP, the resultant properties of the weld nugget and heat affected zones in resistance spot welded must be engineered to provide consistent and acceptable performance, specifically in cross-tension loading mode. Although the as-welded cross-tension strength (CTS) of 980 HF is less than 980 DP, there is a significant improvement of the CTS after paint baking in 980 HF welds. 980 DP steel welds do not exhibit such marked improvement upon baking. The mechanism of the strong and beneficial effect of paint baking on 980 HF in comparison to 980 DP is discussed in light of its effect on residual stress distributions and microstructures. Although residual stress (strain) reduction is observed via synchrotron x-ray diffraction for all tested steels, this effect is demonstrated as secondary to the performance restoration of the weld joint in cross tension. High-resolution electron channeling contrast imaging (ECCI) micrographs reveal that paint baking affects a more beneficial degree of martensite tempering in 980 HF as compared to 980 DP. The martensite tempering is also evidenced by both a reduction in nano-hardness of critical microstructural features and re-emergence of ductile fracture behavior following the paint baking process. The tempering of martensite is concluded to be the dominant mechanism in improving cross tension strength of 3GAHSS welds following paint baking.

36 MATERIALS SCIENCE↗

Cross-reactive sarbecovirus antibodies induced by mosaic RBD nanoparticles

Broad immune responses are needed to mitigate viral evolution and escape. To induce antibodies against conserved receptor-binding domain (RBD) regions of SARS-like betacoronavirus (sarbecovirus) spike proteins that recognize SARS-CoV-2 variants of concern and zoonotic sarbecoviruses, we developed mosaic-8b RBD nanoparticles presenting eight sarbecovirus RBDs arranged randomly on a 60-mer nanoparticle. Mosaic-8b immunizations protected animals from challenges from viruses whose RBDs were matched or mismatched to those on nanoparticles. Here, we describe neutralizing mAbs isolated from mosaic-8b-immunized rabbits, some on par with Pemgarda, the only currently FDA-approved therapeutic mAb. Deep mutational scanning, in vitro selection of spike resistance mutations, and single-particle cryo-electron microscopy structures of spike–antibody complexes demonstrated targeting of conserved RBD epitopes. Rabbit mAbs included critical D-gene segment RBD-recognizing features in common with human anti-RBD mAbs, despite rabbit genomes lacking an equivalent human D-gene segment, thus demonstrating that the immune systems of humans and other mammals can utilize different antibody gene segments to arrive at similar modes of antigen recognition. These results suggest that animal models can be used to elicit anti-RBD mAbs with similar properties to those raised in humans, which can then be humanized for therapeutic use, and that mosaic RBD nanoparticle immunization coupled with multiplexed screening represents an efficient way to generate and select broadly cross-reactive therapeutic pan-sarbecovirus and pan-SARS-CoV-2 variant mAbs.

Science & Technology - Other Topics↗

Optimization-Based Model Reduction Scheme for Renewable Energy Power Plants Using Standardized Testing Scenarios

This paper presents an optimization-based model reduction scheme for renewable energy (RE) power plants consisting of inverter-based resources (IBRs) operating in grid-following (GFL) or grid-forming (GFM) modes. More importantly, the datasets feeding the optimization-based model reduction scheme are generated and re-used through the standardized grid-interactive testing scenarios. Particularly, the proposed scheme makes use of the power plant point of common coupling (PCC) measurements of various quantities specified by standardized tests (e.g., voltage and frequency ride through) as per IEEE 2800, to estimate the parameters of the reduced-order model such that its dynamic performance aligns with the original detailed power plant model. The proposed model reduction approach does not require the parameters of individual IBRs and using standardized test data as input to the formulated optimization problem simplifies the reduced-order modelling scheme. Extensive case studies following standardized test scenarios verified the remarkable accuracy of the proposed approach.

Yallamilli, Ram S. [Purdue University]↗

Evaluating the Influence of Rotor-Casing Eccentricity on Turbine Efficiency Including Time-Resolved Flow Field Measurements

Abstract The clearance that exists between the casing and turbine blade tips is one of the key drivers of efficiency in gas turbine engines. For this reason, engine manufacturers utilize precise manufacturing techniques and may use clearance control systems to minimize tip clearances to reduce associated losses. Despite these efforts, turbines typically exhibit some nominal casing ovality or rotor-casing eccentricity, and changes to blade tip clearance during operation commonly occur due to thermal and mechanical stresses. The present study investigates non-axisymmetric tip clearance effects by creating a rotor-casing eccentricity in a one-stage axial test turbine operating in a continuous-duration mode at engine-relevant conditions with engine representative hardware. A magnetic levitation bearing system was leveraged to move the turbine shaft to vary the rotor-casing eccentricity without test section disassembly. The results of this study indicate that rotor-casing eccentricity does not affect overall turbine efficiency over the range that was tested, but does locally influence efficiency and the rotor exit flow field. Comparisons of flow angle and secondary flow kinetic energy (SKE) agreed with previous studies and existing analytical methods, respectively. Collectively, these results indicate that tip clearance can be studied locally on an eccentric rotor.

Engineering↗

Genome-scale phylogeny and contrasting modes of genome evolution in the fungal phylum Ascomycota

Ascomycota, the largest and most well-studied phylum of fungi, contains three subphyla: Saccharomycotina (budding yeasts), Pezizomycotina (filamentous fungi), and Taphrinomycotina (fission yeasts). Despite its importance, we lack a comprehensive genome-scale phylogeny or understanding of the similarities and differences in the mode of genome evolution within this phylum. By examining 1107 genomes from Saccharomycotina (332), Pezizomycotina (761), and Taphrinomycotina (14) species, we inferred a robust genome-wide phylogeny that resolves several contentious relationships and estimated that the Ascomycota last common ancestor likely originated in the Ediacaran period. Comparisons of genomic properties revealed that Saccharomycotina and Pezizomycotina differ greatly in their genome properties and enabled inference of the direction of evolutionary change. The Saccharomycotina typically have smaller genomes, lower guanine-cytosine contents, lower numbers of genes, and higher rates of molecular sequence evolution compared with Pezizomycotina. These results provide a robust evolutionary framework for understanding the diversity and ecological lifestyles of the largest fungal phylum.

59 BASIC BIOLOGICAL SCIENCES↗

Predicted thresholds for RMP ELM suppression access in double-null configurations

Modeling of DIII-D plasmas spanning shapes from single to double-null (DN) reveals new insights into the nature of resonant magnetic perturbation (RMP) conditions necessary for edge-localized mode (ELM) suppression. The suppression of ELMs with RMPs has proven difficult in DN configurations, where no device has thus far reported any hints of suppression. Modeling using the GPEC code finds a reduced high-field side response closer to DN shaping. The resulting synthetic diagnostic measurements are consistent with what has been observed in experiments on DIII-D, validating the plasma response model in this regime. While common metrics for suppression do not illustrate a clear distinction between single-null (SN) and DN cases, the pedestal top resonant field does show a ∼20% decrease at DN shaping in modeling. Field penetration is assessed using linear tearing theory, which demonstrates a lack of sufficient pedestal top resonant flux in the DN shape, requiring at least 1.5 × greater RMP coil currents than what was used in experiment. Analysis from drift kinetic simulations further indicate up to 2 × larger critical island widths are required at the pedestal top for tearing mode growth compared to SN cases. Effective island widths inferred from 3D ideal MHD are also analyzed, where maximum widths in lab coordinates indicate a threshold of ∼18–24× the ion gyroradius for sufficient profile flattening for ELM suppression. These results suggest that ELM suppression may be possible in DN with sufficiently large RMP coil amplitude. Future prospects of achieving RMP ELM suppression in the DN configuration may involve going to lower triangularity, which is also highlighted in this work.

RMP ELM suppression↗

Systematic benchmarking demonstrates large language models have not reached the diagnostic accuracy of traditional rare-disease decision support tools

Large language models (LLMs) show promise in supporting differential diagnosis, but their performance is challenging to evaluate due to the unstructured nature of their responses, and their accuracy compared to existing diagnostic tools is not well characterized. To assess the current capabilities of LLMs to diagnose genetic diseases, we benchmarked these models on 5213 previously published case reports using the Phenopacket Schema, the Human Phenotype Ontology and Mondo disease ontology. Prompts generated from each phenopacket were sent to seven LLMs, including four generalist models and three LLMs specialized for medical applications. The same phenopackets were used as input to a widely used diagnostic tool, Exomiser, in phenotype-only mode. The best LLM ranked the correct diagnosis first in 23.6% of cases, whereas Exomiser did so in 35.5% of cases. While the performance of LLMs for supporting differential diagnosis has been improving, it has not reached the level of commonly used traditional bioinformatics tools. Future research is needed to determine the best approach to incorporate LLMs into diagnostic pipelines.

Reese, Justin T. [Lawrence Berkeley National Labor↗