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At least 199 records · Page 11

Lie–Poisson Neural Networks (LPNets): Data-based computing of Hamiltonian systems with symmetries

An accurate data-based prediction of the long-term evolution of Hamiltonian systems requires a network that preserves the appropriate structure under each time step. Every Hamiltonian system contains two essential ingredients: the Poisson bracket and the Hamiltonian. Hamiltonian systems with symmetries, whose paradigm examples are the Lie–Poisson systems, have been shown to describe a broad category of physical phenomena, from satellite motion to underwater vehicles, fluids, geophysical applications, complex fluids, and plasma physics. The Poisson bracket in these systems comes from the symmetries, while the Hamiltonian comes from the underlying physics. We view the symmetry of the system as primary, hence the Lie–Poisson bracket is known exactly, whereas the Hamiltonian is regarded as coming from physics and is considered not known, or known approximately. Using this approach, we develop a network based on transformations that exactly preserve the Poisson bracket and the special functions of the Lie–Poisson systems (Casimirs) to machine precision. We present two flavors of such systems: one, where the parameters of transformations are computed from data using a dense neural network (LPNets), and another, where the composition of transformations is used as building blocks (G-LPNets). We also show how to adapt these methods to a larger class of Poisson brackets. We apply the resulting methods to several examples, such as rigid body (satellite) motion, underwater vehicles, a particle in a magnetic field, and others. The methods developed in this paper are important for the construction of accurate data-based methods for simulating the long-term dynamics of physical systems.

Data-based modeling↗

Simultaneous mapping of nanoscale dielectric, electrochemical, and ferroelectric surface properties of van der Waals layered ferroelectric via advanced SPM

Ferroelectric surfaces involve a complex interplay between polarization and dielectric properties, internal and external surface charge screening, and ionic and electrochemical effects. There is currently no good way to simultaneously capture all the required information at appropriate length scales. To this end, we present an advanced scanning probe microscopy approach for simultaneously mapping surface potential, dielectric, and piezoelectric properties on the nanoscale. For quantitatively mapping electromechancial properties, we utilize interferometric displacement sensing piezoresponse force microscopy, which measures the effective piezoelectric coefficient free of background artifacts such as the cantilever body electrostatics. The dielectric and surface electrochemical properties are captured during G-mode electrostatic force microscopy/Kelvin probe force microscopy operated in the lift mode. We show the capabilities of this approach on the chemically phase separated composite sample consisting of a van der Waals layered ferroelectric CuInP 2 S 6 phase and a non-polar In 4/3 P 2 S 6 phase. Finally, we demonstrate domain structure evolution during thermally stimulated phase transition.

36 MATERIALS SCIENCE↗

Grid-to-rod fretting wear study of SiC/SiC composite accident-tolerant fuel claddings using an autoclave fretting bench test

Grid-to-rod-fretting (GTRF) in pressurized water reactors (PWRs) is known to cause wear and surface damage on the fuel claddings, potentially leading to radioactive leakage. One of the accident-tolerant fuel (ATF) concepts is to use advanced cladding materials that could withstand higher temperatures. Here, we investigated the wear behavior of candidate silicon carbide (SiC)-based composite claddings with different levels of surface finish in fretting against a commercial ZIRLO alloy grid using a unique bench-scale autoclave GTRF rig. The experiments mimicked the environment in an industrial full-assembly PWR simulator. Fretting tests were conducted with a realistic load (~0.5 N) in deionized water under a pressure of 20–23 bar at 204 °C for 100 h. While the SiC/SiC composite claddings showed significantly higher wear resistance than the commercial ZIRLO alloy cladding as expected, the smoother versions experienced surprisingly higher wear than the much softer counterface, ZIRLO grid. The wear mechanism of the SiC/SiC cladding was attributed to the SiC wear debris that was trapped at the fretting interface causing both 3-body and 2-body (embedded into the grid surface) abrasion of the cladding. Rougher SiC/SiC claddings had less material loss but caused more wear on the ZIRLO grid. Finally, pre-oxidized ZIRLO grid showed better compatibility with the SiC/SiC cladding to protect both the cladding and grid as a result of reduced wear debris trapping.

36 MATERIALS SCIENCE↗

Composite fermion mass: Experimental measurements in ultrahigh quality two-dimensional electron systems

Composite fermions (CFs), exotic quasiparticles formed by pairing an electron and an even number of magnetic flux quanta, emerge at high magnetic fields in an interacting electron system, and can explain phenomena such as the fractional quantum Hall state (FQHS) and other many-body phases. CFs possess an effective mass (m CF ) whose magnitude is inversely related to the most fundamental property of a FQHS, namely its energy gap. Here we present here experimental measurements of m CF in ultrahigh quality two-dimensional electron systems confined to GaAs quantum wells of varying thickness. An advantage of measuring m CF over gap measurements is that mass values are insensitive to disorder and are therefore ideal for comparison with theoretical calculations, especially for high-order FQHS. Our data reveal that m CF increases with increasing well width, reflecting a decrease in the energy gap as the electron layer becomes thicker and the in-plane Coulomb energy softens. Comparing our measured masses with available theoretical results, we find significant quantitative discrepancies, highlighting that more rigorous and accurate calculations are needed to explain the experimental data.

36 MATERIALS SCIENCE↗

Structural metamaterials comprising interpenetrating lattices

Multi-body interpenetrating lattices comprise two or more lattices that interlace or interpenetrate through the same volume without any direct physical connection to each other, wherein energy transfer is controlled by surface interactions. As a result, multifunctional or composite-like responses can be achieved by additive manufacturing of the interpenetrating lattices, even with only a single print material, with programmable interface-dominated properties. As a result, the interpenetrating lattices can have unique mechanical properties, including improved toughness, multi-stable/negative stiffness, and electromechanical coupling.

Boyce, Brad↗

Fabrication of Black Body Grids by Thick Film Printing for Quantitative Neutron Imaging

Neutron imaging offers deep penetration through many high-Z materials while also having high sensitivity to certain low-Z isotopes such as 1H, 6Li, and 10B. This unique combination of properties has made neutron imaging an attractive tool for a wide range of material science and engineering applications. However, measurements made by neutron imaging or tomography are generally qualitative in nature due to the inability of detectors to discriminate between neutrons which have been transmitted through the sample and neutrons which are scattered by the sample or within the detector. Recent works have demonstrated that deploying a grid of small black bodies (BBs) in front of the sample can allow for the scattered neutrons to be measured at the BB locations and subsequently subtracted from the total measured intensity to yield a quantitative transmission measurement. While this method can be very effective, factors such as the scale and composition of the sample, the beam divergence, and the resolution and construction of the detector may require optimization of the grid design to remove all measurement biases within a given experimental setup. Therefore, it is desirable to have a method by which BB grids may be rapidly and inexpensively produced such that they can easily be tailored to specific applications. In this work, we present a method for fabricating BB patterns by thick film printing of Gd2O3 and evaluate the performance with variation in feature size and number of print layers with cold and thermal neutrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Formation, cooling history and age of impact events on the IIE iron parent body: Evidence from the Miles meteorite

Most iron meteorites formed in planetary cores during differentiation, but the IIE iron meteorites have chemical and physical features that are inconsistent with this origin. By combining mineral chemistry, mineral modes and three-dimensional petrography, we reconstruct the bulk chemistry of the felsic silicate-bearing Miles IIE iron meteorite and demonstrate that the silicate inclusion compositions are similar to partial melts produced experimentally from an H chondrite composition. We use the reconstructed bulk composition, mineralogy and thermodynamic modelling to show that melting above ~ 1200°C under reducing conditions formed metal (Fe-Ni alloy) and felsic silicate partial melts. Upon cooling, the melts crystallized Mg-rich pyroxenes, Na- and K-rich feldspars, and tridymite. Importantly, this mechanism enriches cosmochemically volatile elements (i.e., those with a 50% condensation temperature of ~430–830°C, like Na and K) to the level found in the felsic silicate inclusions. The presence of crystallographically disordered srilankite (only stable above 1160°C) and an absence of Widmanstätten texture require both high peak temperatures and rapid cooling, which cannot be explained by core formation. Instead, they point to small melt volumes, a transient heat pulse, and small thermal mass, and imply efficient physical segregation of silicate and metallic melts through buoyancy separation followed by rapid cooling that arrested the separation of metal and silicate liquid phases. In situ 207 Pb/ 206 Pb age of 4542.3 ± 4.0 Ma in Zr-oxide and phosphate minerals dates the melting event that formed the silicate inclusions. This age aligns with the earliest ages found in other IIE iron meteorite silicates and requires a heating event ~25 million years after the solar system formed. We found 39 Ar/ 40 Ar ages of 3495 ± 52 Ma (low-T) and 4303 ± 7 Ma (high-T) in a K-feldspar grain, with the 3495 Ma age aligning with later thermal events recorded in other IIE iron meteorites. Dating reveals the complex petrogenetic and thermal history of Miles and the IIE iron meteorites. This is the first IIE iron meteorite found to record evidence of heating at 4.5 and 3.5 Ga likely from impact events. We propose that high-velocity impact(s) into an iron-rich, porous chondritic parent body at ~4.54 Ga produced immiscible metal and silicate melts that cooled rapidly and trapped low density silicate inclusions within high density metal. Other IIE irons that formed at lower peak temperatures (900–1000°C) contain chondritic silicate inclusions and relict chondrules, supporting this conceptual model. In conclusion, this petrogenesis is consistent with thermodynamic modelling, experimental data and the wide range of peak temperatures and cooling rates observed in the IIE iron meteorites.

58 GEOSCIENCES↗

Broccoli seed extract rich in polysaccharides and glucoraphanin ameliorates DSS ‐induced colitis via intestinal barrier protection and gut microbiota modulation in mice

Abstract BACKGROUND Broccoli has received widespread attention because of its anti‐inflammatory and antioxidant effects. The present study aimed to explore the composition of broccoli seed extract (BSE) and its effect on colitis induced by dextran sulfate sodium (DSS). RESULTS BSE mainly comprises glucoraphanin and polysaccharides composed of arabinose, galactose, glucose and mannose. Animal experiments suggested that BSE intervention effectively reversed body weight loss, suppressed the levels of proinflammatory interleukin‐6, tumor necrosis factor‐α and interleukin‐1β, and elevated the levels of anti‐inflammatory interleukin‐10 and the activities of superoxide dismutase and glutathione in DSS‐induced colitis mice. According to histopathologic and immunohistochemical analysis of colon tissue, BSE intervention may repair the intestinal barrier by upregulating mRNA levels and the expression of tight junction proteins (claudin‐1, occludin and zonula occludens‐1). Gas chromatography–mass spectrometry (MS) analysis demonstrated that cecal short‐chain fatty acids in mice with BSE administration were significantly increased compared with the model group. Sulforaphane and sulforaphane‐ N ‐acetylcysteine were only detected in BSE group mice by ultra‐performance liquid chromatography‐MS analysis. In addition, BSE intervention evidently increased the abundance of Alistipeds , Coriobacteriaceae UCG‐002 and Bifidobacterium and decreased the abundance of Escheichia‐Shinella , Lachnospiraceae others , Parabacteroides , Ruminococcaceae others and Turicibacter , which possibly promoted carbohydrate metabolism and short‐chain fatty acid production. CONCLUSION The present study aimed to elucidate the effect of BSE on colitis and found that BSE, as a novel food ingredient, has great potential for the improvement of colitis. © 2022 Society of Chemical Industry.

Wu, Jiaying↗

Tribological behavior of spark plasma sintered Ti 3 SiC 2 MAX phase composites

Ti₃SiC₂ MAX phases are considered promising candidates for tribological applications; but, their low hardness (5-6 GPa) can lead to increased abrasive wear and higher wear rates. This study investigates the effect of incorporating hard SiC particles on microstructure, mechanical, and tribological behavior of Ti₃SiC₂-SiC-based MAX phase composites prepared using spark plasma sintering at 1400 °C, 40 MPa, 15-minute holding time. Phase and microstructural characterization of composites confirmed the formation of Ti₃SiC₂ MAX phase (90%) along with TiC as a minor phase (10%). For Ti₃SiC₂-SiC, homogeneous distribution of SiC grains within Ti₃SiC₂ matrix resulted in increased hardness from ~11.6 GPa to ~14.8 GPa; however, the flexural strength decreased from ~615 MPa to ~597 MPa due to coefficient of thermal expansion mismatch. Tribological behavior of Ti₃SiC₂-SiC MAX phase composites was assessed using unidirectional sliding ball-on-flat tests with a 52100 steel ball at different loads and a constant speed of 0.05 m/s. SiC reinforced composites exhibited a decreased friction coefficient from 0.39 to 0.29 and wear rates comparable to Ti₃SiC₂ (7-10×10⁻³ mm³/N·m). SEM and EDS analysis of the worn surfaces indicated material transfer from the steel ball counter body and its oxidation due to frictional heating, at lower loads (2N and 5N), whereas at higher load (10N), fracture of the transfer layer dominated, with the presence of microcracks, delamination, grain pull-outs, and wear debris. Improved mechanical properties and good adhesion of SiC with Ti₃SiC₂ matrix resulted in reduced microcracks and grain pull-outs, making Ti₃SiC₂-SiC/Steel tribo-pair more suitable for tribological applications.

36 MATERIALS SCIENCE↗

Insights into Waterflooding in Hydrocarbon-Bearing Nanochannels of Varying Cross Sections from Mesoscopic Multiphase Flow Simulations

Waterflooding is one of the geotechnique used to recover fuel sources from nanoporous geological formations. The scientific understanding of the process that involves the multiphase flow of nanoconfined fluids, however, has lagged, mainly due to the complex nanopore geometries and chemical compositions. To enable benchmarked flow of nanoconfined fluids, the architected geomaterials, such as synthesized mesoporous silica with tunable pore shapes and surface chemical properties, are used for designing and conducting experiments and simulations. This work uses a modified many-body dissipative particle dynamics (mDPD) model with accurately calibrated parameters to perform parametric flow simulations for studying the influences of waterflooding driven power, pore shape, surface roughness, and surface wettability on the multiphase flow in heptane-saturated silica nanochannels. Remarkably, up to 80\% reduction in the effective permeability is found for water-driven heptane flow in a baseline 4.5 nm-wide slit channel, when compared with the Hagen–Poiseuille equation. In the 4.5 nm-wide channels with architected surface roughness, the flow rate is found either higher or lower than the baseline case, depending on the shape and size of cross-sections. High wettability of the solid surface to water is essential for achieving high recovery of heptane, regardless of surface roughness. When the solid surface is less wetting or non-wetting to water, the existence of an optimal waterflooding driven power is found to allow for the highest possible recovery. A detailed analysis on the evolution of the transient water-heptane interface in those nanochannels is presented to elucidate the underlying mechanisms that impact or dictate the multiphase flow behaviors.

58 GEOSCIENCES↗

A Fireproof, Lightweight, Polymer–Polymer Solid-State Electrolyte for Safe Lithium Batteries

Safety issues in lithium-ion batteries have raised serious concerns due to their ubiquitous utilization and close contact with the human body. Replacing flammable liquid electrolytes, solid-state electrolytes (SSEs) is thought to address this issue as well as provide unmatched energy densities in Li-based batteries. However, among the most intensively studied SSEs, polymeric solid electrolyte and polymer/ceramic composites are usually flammable, leaving the safety issue unattended. Here, we report the first design of a fireproof, ultralightweight polymer–polymer SSE. The SSE is composed of a porous mechanic enforcer (polyimide, PI), a fire-retardant additive (decabromodiphenyl ethane, DBDPE), and a ionic conductive polymer electrolyte (poly(ethylene oxide)/lithium bis(trifluoromethanesulfonyl)imide). The whole SSE is made from organic materials, with a thin, tunable thickness (10–25 μm), which endorse the energy density comparable to conventional separator/liquid electrolytes. The PI/DBDPE film is thermally stable, nonflammable, and mechanically strong, preventing Li–Li symmetrical cells from short-circuiting after more than 300 h of cycling. LiFePO 4 /Li half cells with our SSE show a high rate performance (131 mAh g –1 at 1 C) as well as cycling performance (300 cycles at C/2 rate) at 60 °C. Most intriguingly, pouch cells made with our polymer–polymer SSE still functioned well even under flame abuse tests.

25 ENERGY STORAGE↗

Concepts Relevant for the Kinetic Analysis of Reversible Reaction Systems

The net rate of a reversible chemical reaction is the difference between unidirectional rates of traversal along forward and reverse reaction paths. In a multistep reaction sequence, the forward and reverse trajectories, in general, are not the microscopic reverse of one another; rather, each unidirectional route is comprised of distinct rate-controlling steps, intermediates, and transition states. Consequently, traditional descriptors of rate (e.g., reaction orders) do not reflect intrinsic kinetic information but instead conflate unidirectional contributions determined by (i) the microscopic occurrence of forward/reverse reactions (i.e., unidirectional kinetics) and (ii) the reversibility of reaction (i.e., nonequilibrium thermodynamics). This review aims to provide a comprehensive resource of analytical and conceptual tools which deconvolute the contributions of reaction kinetics and thermodynamics to disambiguate unidirectional reaction trajectories and precisely identify rate- and reversibility-controlling molecular species and steps in reversible reaction systems. The extrication of mechanistic and kinetic information from bidirectional reactions is accomplished through equation-based formalisms (e.g., De Donder relations) grounded in principles of thermodynamics and interpreted in the context of theories of chemical kinetics developed in the past 25 years. Here, the aggregate of mathematical formalisms detailed herein is general to thermochemical and electrochemical reactions and encapsulates a diverse body of scientific literature encompassing chemical physics, thermodynamics, chemical kinetics, catalysis, and kinetic modeling.

42 ENGINEERING↗

Phase segregation and miscibility of TiO x nanocomposites in Gd-doped ceria solid electrolyte material

Electro-chemo-mechanical (ECM) coupling refers to mechanical deformation due to electrochemically driven compositional change in a solid. An ECM actuator producing micrometre-size displacements and long-term stability at room temperature was recently reported, comprising a 20 mol% Gd-doped ceria (20GDC), a solid electrolyte membrane, placed between two working bodies made of TiO x /20GDC (Ti-GDC) nanocomposites with Ti concentration of 38 mol%. The volumetric changes originating from oxidation or reduction in the local TiO x units are hypothesized to be the origin of mechanical deformation in the ECM actuator. Studying the Ti concentration-dependent structural changes in the Ti-GDC nanocomposites is therefore required for (i) understanding the mechanism of dimensional changes in the ECM actuator and (ii) maximizing the ECM response. Here, the systematic investigation of the local structure of the Ti and Ce ions in Ti-GDC over a broad range of Ti concentrations using synchrotron X-ray absorption spectroscopy and X-ray diffraction is reported. The main finding is that, depending on the Ti concentration, Ti atoms either form a cerium titanate or segregate into a TiO 2 anatase-like phase. The transition region between these two regimes with Ti(IV) concentration between 19% and 57% contained strongly disordered TiO x units dispersed in 20GDC containing Ce(III) and Ce(IV) and hence rich with oxygen vacancies. As a result, this transition region is proposed to be the most advantageous for developing ECM-active materials.

47 OTHER INSTRUMENTATION↗

Photovoltaic Cable Connectors: A Comparative Assessment of the Present State of the Industry

The consequences of failure for balance-of-systems components (such as photovoltaic (PV) cable connectors) include offline module string(s); low system voltage; arc, ground, insulation, and overtemperature faults; triggered fuse(s); system shutdown; and fire. The degradation modes for connectors are studied here through an industry survey and its subsequent examination, which are compared with field-degraded specimens. A total of 117 specimens were obtained from a variety of locations and climates or accelerated tests. A failure analysis for connectors from PV installations was developed (and applied to 54 specimens), including nondestructive examinations (photography, a custom resistance-current scan, and X-ray computed tomography) and destructive examinations (featuring milling of the external plastic, extraction of the internal convolute spring, and potting and polishing in cross section). Surface and through-thickness composition of the metal pins and springs was quantified using scanning electron microscopy with energy-dispersive X-ray spectroscopy. Fourier transform infrared spectroscopy was used to verify the base polymer materials and compare the chemical structure of the connector body, bushing, end nut, and o-ring. Thermogravimetric analysis and differential scanning calorimetry were used to further verify the degradation of the same polymeric components.

cable connectors↗

Early fluid activity on Ryugu inferred by isotopic analyses of carbonates and magnetite

Samples from asteroid Ryugu returned by the Hayabusa2 mission contain evidence of extensive alteration by aqueous fluids and appear related to the CI chondrites. To understand the sources of the fluid and the timing of chemical reactions occurring during the alteration processes, we investigated the oxygen, carbon and 53 Mn– 53 Cr systematics of carbonate and magnetite in two Ryugu particles. Here we find that the fluid was initially between 0 and 20 °C and enriched in 13 C, 17 O and 18 O, and subsequently evolved towards lighter carbon and oxygen isotopic compositions as alteration proceeded. Carbonate ages show that this fluid–rock interaction took place within approximately the first 1.8 million years of Solar System history, requiring early accretion either in a planetesimal less than ~20 km in diameter or within a larger body that was disrupted and reassembled.

58 GEOSCIENCES↗

Photovoltaic Cable Connectors: A Comparative Assessment of the Present State of the Industry [Slides]

The consequences of failure for balance of systems (BoS) components (such as PV cable connectors) include offline module string(s); low system voltage; arc, ground, insulation, and over-temperature faults; triggered fuse(s); system shutdown; and fire. The degradation modes for connectors are studied here through an industry survey and its subsequent examination, which are compared to field-degraded specimens. 117 specimens were obtained from a variety of locations and climates or accelerated tests. A failure analysis for connectors from PV installations was developed (and applied to 54 specimens) including nondestructive examinations (photography, a custom resistance-current scan, and X-ray computed tomography) and destructive examinations (featuring milling of the external plastic, extraction of the internal convolute spring, and potting and polishing in cross-section). Surface and through-thickness composition of the metal pins and springs was quantified using scanning electron microscopy with energy-dispersive X-ray spectroscopy. Fourier-transform infrared spectroscopy was used to verify the base polymer materials and compare the chemical structure of the connector body, bushing, end nut, and o-ring. Thermogravimetric analysis and differential scanning calorimetry were used to further verify the degradation of the same polymeric components. Updated from 2023 NIST/UL Workshop on Photovoltaic Materials Durability (website: https://events.ul.com/WPMogn?rt=aAuoWsl4E0KaORLCMeOgfA) and 2024 PVRW workshop (https://pvrw.nrel.gov/past-proceedings).

14 SOLAR ENERGY↗

Analysis of the ASME Code Rules for Subsection III-5-HHB (Composite Materials) for Current HTR Design Requirements

This document includes the critical analysis review of the American Society of Mechanical Engineers (ASME) Section III Division 5 Subsection HH Subpart B (HHB), including Mandatory Appendices, that was published in 2023. In the context of this document, reference to “the code” is specific to this subsection unless otherwise specified. A specific composites task group within the ASME Nonmetallic Design and Materials Working Group, with the support of external experts, was established to perform a gap analysis review. The significant findings are summarized here. The committee response with suggested action items are detailed in the body of the report.

36 MATERIALS SCIENCE↗

Velocity-space Origins of the Pressure–Strain Interaction in Multipopulation Distributions and Its Application to Magnetic Reconnection

A forefront research question is how energy evolves in weakly collisional plasmas for which departures from local thermodynamic equilibrium (LTE) are significant. The standard approach is studying the terms in the non-LTE energy evolution equation derived by taking the second moment of the Boltzmann equation, but the resultant fluid metrics do not retain information about which particles at which velocities drive energy evolution. A widely studied channel for internal energy density evolution is the pressure–strain interaction. Here, we employ the kinetic pressure–strain, a phase-space diagnostic whose velocity-space integral recovers the pressure–strain interaction to disambiguate the contributions to the pressure–strain interaction from disparate particle populations in composite phase-space densities. We develop phase-space analogs of the pressure–strain interaction decompositions to provide the phase-space origins of normal versus sheared flow. We introduce the “kinetic strain-rate” tensor, the phase-space analog of the strain-rate tensor, which we argue is needed to interpret the phase-space origins of the pressure–strain interaction. To demonstrate the utility of these quantities, we investigate them for composite electron distributions near the electron diffusion region in two-dimensional particle-in-cell simulations of antiparallel symmetric magnetic reconnection. We find that the phase-space-based diagnostics isolate the roles of distinct populations. These results contribute to a growing body of work providing new methods for quantifying phase-space energy evolution for a broad array of processes, from magnetic reconnection to collisionless shocks and turbulence, opening new pathways for answering longstanding problems of particle energization in weakly collisional plasmas.

79 ASTRONOMY AND ASTROPHYSICS↗