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At least 1,567 records · Page 87

Maximum Entropy Principle in Deep Thermalization and in Hilbert-Space Ergodicity

We report universal statistical properties displayed by ensembles of pure states that naturally emerge in quantum many-body systems. Specifically, two classes of state ensembles are considered: those formed by (i) the temporal trajectory of a quantum state under unitary evolution or (ii) the quantum states of small subsystems obtained by partial, local projective measurements performed on their complements. These cases, respectively, exemplify the phenomena of “Hilbert-space ergodicity” and “deep thermalization.” In both cases, the resultant ensembles are defined by a simple principle: The distributions of pure states have maximum entropy, subject to constraints such as energy conservation, and effective constraints imposed by thermalization. We present and numerically verify quantifiable signatures of this principle by deriving explicit formulas for all statistical moments of the ensembles, proving the necessary and sufficient conditions for such universality under widely accepted assumptions, and describing their measurable consequences in experiments. We further discuss information-theoretic implications of the universality: Our ensembles have maximal information content while being maximally difficult to interrogate, establishing that generic quantum state ensembles that occur in nature hide (scramble) information as strongly as possible. Our results generalize the notions of Hilbert-space ergodicity to time-independent Hamiltonian dynamics and deep thermalization from infinite to finite effective temperature. Our work presents new perspectives to characterize and understand universal behaviors of quantum dynamics using statistical and information-theoretic tools.

Eigenstate thermalization↗

Facile synthesis of SiO{sub 2} nanoparticles for biomedical applications

Silica nanoparticles (SiO{sub 2} NPs) for biomedical applications have been prepared by using a facile modified Stöber-synthesis. Potassium borohydride (KBH{sub 4}) has been introduced in the synthesis procedure in order to control NP size. Several samples have been prepared varying tetraethylorthosilicate (TEOS) concentration, and using different process conditions (temperature, reaction time and atmosphere). In order to study the influence of the process conditions on the NP size, morphology and properties, several characterization techniques were used. Size and morphology of the as-prepared SiO{sub 2} NPs have been studied by using Transmission Electron Microscope (TEM) and Dynamic Light Scattering (DLS) techniques. Structural characterization was carried out by X-ray powder diffraction. To investigate the SiO{sub 2} NP fluorescence emission properties the fluorescence spectroscopy was also used.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

TU-H-206-03: Characterizing B1 Inhomogeneities in DCE MRI

Purpose: Dynamic Contrast Enhanced (DCE) MRI is a valuable technique for measuring perfusion and permeability characteristics of tumors. Exogenous contrast concentrations are calculated based on changes in T{sub 1} measured using fast 3D gradient echo (FLASH) sequences. However, the slab selective pulses used in 3D MRI may result in B{sub 1} inhomogeneities across the volume of interest that can lead to errors in T{sub 1} and thus the estimated gadolinium concentration. We compared three FLASH DCE sequences (GRE, TWIST, and VIBE) to determine their signal homogeneity across slices and the accuracy in calculating T{sub 1} using acquisitions with variable flip angles. Methods: The sequences were tested at 3 T on a Siemens mMR (VB20P) using a doped water phantom 3.75 g/L NiSO{sub 4} - 6H{sub 2}O + 5 g/L NaCl (T{sub 1} = 104 ms) and a 2% agar, 0.67% NaCl phantom (T{sub 1}= 1.71 s). 2D EPI B{sub 1} maps and inversion recovery T{sub 1}maps were acquired for ground truth. 3D MRI was acquired at different flip angles to generate a T{sub 1} map. Regions of interest were drawn to measure signal inside the phantoms as a function of slice position. The T{sub 1} for each slice ROI was fit to the FLASH steady-state model of magnetization. Results: Based on the data, GRE gave the most uniform signal homogeneity and T{sub 1} values in the middle slices of the 3D volume. The 3D VIBE sequence had the largest region of signal inhomogeneity compared to the 3D GRE and TWIST sequences. VIBE’s B{sub 1} inhomogeneity is inconsistent at low flip angles. However, VIBE resulted in more slices with T{sub 1} values similar to the ground truth. Conclusion: The central 1/3 of the slices yielded signals that result in T{sub 1} fits consistent with the ground truth. However, the remaining slices required some form of B{sub 1} inhomogeneity correction for quantitative DCE analysis. The research was supported in part by NIH NCI Grant R01CA159471.

60 APPLIED LIFE SCIENCES↗

Hydrotalcite Intercalated siRNA: Computational Characterization of the Interlayer Environment

Using molecular dynamics (MD) simulations, we explore the structural and dynamical properties of siRNA within the intercalated environment of a Mg:Al 2:1 Layered Double Hydroxide (LDH) nanoparticle. An ab initio force field (Condensed-phase Optimized Molecular Potentials for Atomistic Simulation Studies: COMPASS) is used for the MD simulations of the hybrid organic-inorganic systems. The structure, arrangement, mobility, close contacts and hydrogen bonds associated with the intercalated RNA are examined and contrasted with those of the isolated RNA. Computed powder X-ray diffraction patterns are also compared with related LDH-DNA experiments. As a method of probing whether the intercalated environment approximates the crystalline or rather the aqueous state, we explore the stability of the principle parameters (e.g., the major groove width) that differentiate both A- and A'- crystalline forms of siRNA and contrast this with recent findings for the same siRNA simulated in water. We find the crystalline forms remain structurally distinct when intercalated, whereas this is not the case in water. Implications for the stability of hybrid LDH-RNA systems are discussed.

gene therapy↗

In-flight leading-edge extension vortex flow-field survey measurements on a F-18 aircraft at high angle of attack

Flow-field measurements on the leading-edge extension (LEX) of the F-18 High Alpha Research Vehicle (HARV) were obtained using a rotating rake with 16 hemispherical-tipped five-hole probes. Detailed pressure, velocity, and flow direction data were obtained through the LEX vortex core. Data were gathered during 1-g quasi-stabilized flight conditions at angles of attack alpha from 10 degrees to 52 degrees and at Reynolds numbers based on mean aerodynamic cord up to 16 x 10(exp 6). Normalized dynamic pressures and crossflow velocities clearly showed the primary vortex above the LEX and formation of a secondary vortex at higher angles of attack. The vortex was characterized by a ring of high dynamic pressure surrounding a region of low dynamic pressure at the vortex core center. The vortex core, subcore diameter, and vertical location of the core above the LEX increased with angle of attack. Minimum values for static pressure were obtained in the vortex subcore and decreased nearly linearly with increasing angle of attack until vortex breakdown. Rake-measured static pressures were consistent with previously documented surface pressures and showed good agreement with flow visualization flight test results. Comparison of the LEX vortex flight test data to computational solutions at alpha approximately equals 19 degrees and 30 degrees showed fair correlation.

David M Richwine↗

Density profile of dynamical halos

Among the most fundamental properties of a dark matter halo is its density profile. Motivated by the recent proposal by García et al . [Mon. Not. R. Astron. Soc. 521 , 2464 (2023)] to define a dynamical halo as the collection of orbiting particles in a gravitationally bound structure, we characterize the mean and scatter of the orbiting profile of dynamical halos as a function of their orbiting mass. Here, we demonstrate that the orbiting profile of individual halos at fixed mass depends on a single dynamical variable, the halo radius 𝑟 h , which characterizes the spatial extent of the profile. The scatter in halo radius at fixed orbiting mass is ≈16%. Only a small fraction of this scatter arises due to differences in halo formation time, with late-forming halos being more compact (smaller halo radii). Accounting for this additional correlation results in an ≈11% scatter in halo radius at fixed mass and halo formation time.

79 ASTRONOMY AND ASTROPHYSICS↗

Combining Spatial and Temporal Resolution in Cryo-TEM of Device Materials: Preprint

Cryogenic transmission electron microscopy (cryo-TEM) has been instrumental to reducing the effects of electron-beam sample interactions and enabling higher spatial resolution studies of beam sensitive materials. However, the process of thinning and freezing samples for cryo-TEM characterization is often complex and frequently involves removing materials from their environment or stimuli of interest for extended times. This can allow for structural relaxation, diffusion, and other dynamic processes to occur prior to characterization; for energy materials like battery electrodes, this makes it difficult to precisely correlate the imaged structure with native structures that evolve in-situ during device processing, operation, or aging. Here, we present methods to prepare cryo-TEM samples from energy materials during these critical processes in the relevant device lifetimes. This offers insights into improving the temporal resolution of cryo-TEM, while still exploiting its ability to achieve high spatial resolutions in characterizing beam sensitive materials.

BASIC BIOLOGICAL SCIENCES,MATERIALS SCIENCE↗

Low-Cost Production of Lithium-Ion Separator Membranes w/ Improved Safety

The purpose of this Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and Porous Power Technologies, LLC (PPT) was to validate the performance, durability, and safety of a new type of reinforced, composite lithium ion battery separator produced as either a free-standing product or by a method of direct coating after electrode fabrication. ORNL’s primary roles were to develop novel separator thermophysical and mechanical property characterization methods and assist with fundamental understanding of SYMMETRIX® HPX and HPX-F product line chemical makeup and microstructure. PPT’s primary roles were to implement the understanding gained from the ORNL developed characterization methods into a refined product line featuring nonwoven-reinforced, ceramic-filled composite HPX-F separators for the lithium ion battery industry and quantify long-term cell performance improvements associated with HPX-F separators. Over the course of this CRADA, the product line of PPT was expanded from a pure polyvinylidene fluoride (PVDF) HP and polyester nonwoven-reinforced HPX separator platform to one that includes a variety of ceramic-filled HPX-F separators. In addition, the laminating and direct coating technologies for HPX and HPX-F separators are now more developed and moving towards commercial licensing. PPT’s SYMMETRIX® production process will revolutionize the production of lithium ion batteries by eliminating one of the most expensive components (the free-standing separator membrane) while improving performance and safety. The performance and safety improvements are due primarily to replacement of the conventional polyethylene/polypropylene (PE/PP) separator material with polyvinylidene fluoride (PVDF), and to ceramic materials added to the PVDF to form a short-resistant, thermally-stable composite structure. Ultimately, lithium ion battery manufacturers will be able to produce PPT separators in-house through the laminating or direct coating methods such as those based on the SYMMETRIX® product line, giving them higher performance cells at a fraction of the cost required to purchase separators from existing vendors. Direct coating of separators onto electrodes eliminates the cost of a downstream thermal lamination step and requires little or no change to existing equipment. It is a clear path for lithium ion battery manufacturers to reach the <$1/m2 separator price target set by the U.S. Advanced Battery Consortium (USABC). The technology enabled by this project will have a substantial impact on energy efficiency required to produce cells and is anticipated to save up to $1B annually by 2014 in reduced manufacturing costs. In addition, it will contribute significantly to production energy savings associated with transporting free-standing polyolefin (PE/PP) separators from the vendor to the cell manufacturer locations. SYMMETRIX® separators have shown increased cell capacity, improved thermal stability, and longer cycle life over their PE/PP counterparts and have been repeatedly demonstrated to improve nearly all aspects of lithium ion battery performance Prior to the start of this CRADA, widespread adoption has been limited by three factors: 1) difficulty in handling the material on high-speed processing equipment due to lower tensile strength than oriented PE/PP materials; 2) cost concerns associated with the higher expense of PVDF as a raw material; and 3) questions regarding short resistance and durability. The first factor was addressed through thorough mechanical (ultimate tensile strength and dynamic mechanical analysis, etc.) property characterization of HPX and HPX-F materials against the commercial polyolefin baselines. The second factor was address by shifting the focus of PPT’s product line towards the HPX-F materials with low-PVDF (high ceramic filler) content to reduce overall separator cost. Concerns associated with the third factor were alleviated by evaluating the internal shorting resistance of the separators using a custom developed ORNL measurement method and obtaining long-term cycling data of the new HPX-F separator formulations. A materials emphasis was placed on polyester fiber mats for the nonwoven reinforcement (to boost overall separator tensile strength) and proprietary metal oxides for the HPX-F fillers (to improve thermomechanical properties of the separator and make it more resistant to overcharge and internal shorting).

batteries↗

Hygrothermal Aging and Thermomechanical Characterization of As-Manufactured Tidal Turbine Blade Composites

This study investigates the hygrothermal aging behavior and thermomechanical properties of as-manufactured glass fiber-reinforced epoxy and thermoplastic composite tidal turbine blades. The blades were previously deployed in a marine environment and subsequently analyzed through a comprehensive suite of material characterization techniques, including hygrothermal aging, dynamic mechanical analysis (DMA), tensile testing and X-ray computed tomography (XCT). Hygrothermal aging experiments revealed that while thermoplastic composites exhibited lower overall water absorption (0.78% vs. 0.47%), they had significantly higher diffusion coefficients than epoxy (2.1 vs. 12.1 × 10 −13 m 2 s −1 ), suggesting faster saturation in operational environments. DMA results demonstrated that water ingress caused plasticization in epoxy matrices, reducing the glass transition temperature and increasing damping (112 °C to 104 °C), while thermoplastic composites showed more stable thermal behavior (87 °C glass transition temperature). Tensile testing revealed substantial reductions in ultimate strength (>40%) for both materials after prolonged water exposure, with minimal change in elastic modulus, highlighting the role of matrix degradation over fiber reinforcement. XCT image analysis showed that both composites were manufactured with high quality: no large voids or cracks were present, and the degree of misalignment was low. These findings inform future marine renewable energy composite designs by emphasizing the critical influence of moisture on long-term structural integrity and the need for optimized material systems in harsh marine environments. This work provides a rare real-world comparison of epoxy and recyclable thermoplastic tidal turbine blades, showing how laboratory aging tests and advanced imaging reveal the influence of material and manufacturing choices on long-term marine durability.

16 TIDAL AND WAVE POWER↗

Active liquid crystals powered by force-sensing DNA-motor clusters

Significance Single-molecule techniques have elucidated how isolated molecular motors generate piconewton forces with unprecedented detail. However, in diverse biological and synthetic settings, force-generating proteins collectively power nonequilibrium dynamics, including continuous large-scale rearrangements and persistent fluid flows. Characterizing motor-generated forces in these dense and dynamical environments remains a challenge. We assembled a reversible DNA-based force-sensing probe that, by an optical readout, reveals the molecular arrangements and the force loads experienced by kinesin motors. These probes provide insight into motor-generated forces that collectively power the unique dynamics of microtubule-based active nematics, a noteworthy example of an internally driven active matter system. DNA-based force probes can be extended to study forces and stresses in various synthetic systems as well as diverse cellular environments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effects of dynamical masses of gluons and quarks on hadronic B decays

We study hadronic annihilation decays of B mesons within the perturbative QCD at collinear approximation. The regulation of endpoint divergences is performed with the help of an infrared finite gluon propagator characterized by a non-perturbative dynamical gluon mass. The divergences at twist-3 are regulated by a dynamical quark mass. Our results fit quite well the existent data of B{sup 0}{yields}D{sub s}{sup -}K{sup +} and B{sup 0}{yields}D{sub s}{sup -*}K{sup +} for the expected range of dynamical gluon masses. We also make predictions for the rare decays B{sup 0}{yields}K{sup -}K{sup +}, B{sub s}{sup 0}{yields}{pi}{sup -}{pi}{sup +}, {pi}{sup 0}{pi}{sup 0}, B{sup +}{yields}D{sub s}{sup (*)+}K-bar{sup 0}, B{sup 0}{yields}D{sub s}{sup {+-}(*)}K{sup {+-}} and B{sub s}{sup 0}{yields}D{sup {+-}(*)}{pi}{sup {+-}}, D{sup 0}{pi}{sup 0}.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A minimal model of fire-vegetation feedbacks and disturbance stochasticity generates alternative stable states in grassland–shrubland–woodland systems

Altered disturbance regimes in the context of global change are likely to have profound consequences for ecosystems. Interactions between fire and vegetation are of particular interest, as fire is a major driver of vegetation change, and vegetation properties (e.g., amount, flammability) alter fire regimes. Mediterranean-type ecosystems (MTEs) constitute a paradigmatic example of temperate fire-prone vegetation. Although these ecosystems may be heavily impacted by global change, disturbance regime shifts and the implications of fire-vegetation feedbacks in the dynamics of such biomes are still poorly characterized. We developed a minimal modeling framework incorporating key aspects of fire ecology and successional processes to evaluate the relative influence of extrinsic and intrinsic factors on disturbance and vegetation dynamics in systems composed of grassland, shrubland, and woodland mosaics, which characterize many MTEs. In this theoretical investigation, we performed extensive simulations representing different background rates of vegetation succession and disturbance regime (fire frequency and severity) processes that reflect a broad range of MTE environmental conditions. Varying fire-vegetation feedbacks can lead to different critical points in underlying processes of disturbance and sudden shifts in the vegetation state of grassland-shrubland-woodland systems, despite gradual changes in ecosystem drivers as defined by the environment. Vegetation flammability and disturbance stochasticity effectively modify system behavior, determining its heterogeneity and the existence of alternative stable states in MTEs. Small variations in system flammability and fire recurrence induced by climate or vegetation changes may trigger sudden shifts in the state of such ecosystems. The existence of threshold dynamics, alternative stable states, and contrasting system responses to environmental change has broad implications for MTE management.

54 ENVIRONMENTAL SCIENCES↗

Atom-to-continuum methods for gaining a fundamental understanding of fracture.

This report describes an Engineering Sciences Research Foundation (ESRF) project to characterize and understand fracture processes via molecular dynamics modeling and atom-to-continuum methods. Under this aegis we developed new theory and a number of novel techniques to describe the fracture process at the atomic scale. These developments ranged from a material-frame connection between molecular dynamics and continuum mechanics to an atomic level J integral. Each of the developments build upon each other and culminated in a cohesive zone model derived from atomic information and verified at the continuum scale. This report describes an Engineering Sciences Research Foundation (ESRF) project to characterize and understand fracture processes via molecular dynamics modeling and atom-to-continuum methods. The effort is predicated on the idea that processes and information at the atomic level are missing in engineering scale simulations of fracture, and, moreover, are necessary for these simulations to be predictive. In this project we developed considerable new theory and a number of novel techniques in order to describe the fracture process at the atomic scale. Chapter 2 gives a detailed account of the material-frame connection between molecular dynamics and continuum mechanics we constructed in order to best use atomic information from solid systems. With this framework, in Chapter 3, we were able to make a direct and elegant extension of the classical J down to simulations on the scale of nanometers with a discrete atomic lattice. The technique was applied to cracks and dislocations with equal success and displayed high fidelity with expectations from continuum theory. Then, as a prelude to extension of the atomic J to finite temperatures, we explored the quasi-harmonic models as efficient and accurate surrogates of atomic lattices undergoing thermo-elastic processes (Chapter 4). With this in hand, in Chapter 5 we provide evidence that, by using the appropriate energy potential, the atomic J integral we developed is calculable and accurate at finite/room temperatures. In Chapter 6, we return in part to the fundamental efforts to connect material behavior at the atomic scale to that of the continuum. In this chapter, we devise theory that predicts the onset of instability characteristic of fracture/failure via atomic simulation. In Chapters 7 and 8, we describe the culmination of the project in connecting atomic information to continuum modeling. In these chapters we show that cohesive zone models are: (a) derivable from molecular dynamics in a robust and systematic way, and (b) when used in the more efficient continuum-level finite element technique provide results that are comparable and well-correlated with the behavior at the atomic-scale. Moreover, we show that use of these same cohesive zone elements is feasible at scales very much larger than that of the lattice. Finally, in Chapter 9 we describe our work in developing the efficient non-reflecting boundary conditions necessary to perform transient fracture and shock simulation with molecular dynamics.

42 ENGINEERING↗

Recent Progress in Solid‐State Lithium Batteries through Cathode Microstructure Engineering

A high‐performance cathode is necessary to realize the great potentials of solid‐state batteries such as high energy density and long cycle life. It is also needed to validate electrolyte performance, which is lacking. Currently, cathodes for solid‐state batteries are thinner and have lower cathode active material content than their lithium‐ion battery counterpart, resulting from insufficient conductivity and limiting the battery energy density. This review article provides an overview of recent development in cathode microstructures and their impact on battery properties, including compatibility between cathode and electrolyte, cathode architecture design, interface engineering, correlation between material properties, cathode processing approaches, and performance, as well as the advanced characterization methods used to understand the above correlations . Some perspectives on future development are shared including utilizing in situ and operando characterization tools to better understand dynamic evolution of the cathode/electrolyte interface, adapting artificial intelligence and machine learning to design and optimize cathode structures. The article is aimed to promote research interest on cathode development and advance solid‐state battery technologies.

cathode engineering↗

An Investigation on Magnetic-Interacting Fe{sub 3}O{sub 4} Nanoparticles Prepared by Electrochemical Synthesis Method

Naked, polyvinylchloride (PVC)-coated, and polyethylene glycol (PEG)-coated Fe{sub 3}O{sub 4} nanoparticles (NPs) with an equivalent average particle size of 10 nm were prepared through an electrochemical synthesis method. The structural and magnetic properties were investigated systematically. The X-ray diffraction study coupled with the Rietveld refinement of XRD data showed that samples are crystallized in cubic spinel structure with space group referred to as Fd3m. The nature of DC magnetization versus field M (H) plot for sample resembles qualitatively with ferromagnetic (FM) systems. The AC-susceptibility data obtained at different frequencies confirmed the presence of a frequency-dependent freezing temperature. Based on the interparticle interaction strength and phenomenological models (Néel–Brown, Vogel–Fulcher, and critical slowing down), the magnetic dynamic behavior of nanoparticles was characterized. By fitting the experimental data with mentioned models, the possibility existence of superparamagnetic and a spin-glass state at low temperatures was proposed for the samples. Also, the obtained values from fitting performance showed a coating effect on interparticle interaction for PVC- and PEG-coated Fe{sub 3}O{sub 4} nanoparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Numerical Prediction of Oscillation Behaviors of a Multiphase Core–Shell Droplet During Interfacial Tension Measurement

Interfacial tension between molten high-temperature materials is to be measured using the electrostatic levitation furnace (ELF) and the electromagnetic levitator (ISS-EML) aboard the International Space Station. A levitated compound droplet of a concentric core–shell structure is excited either by an impulsive electromagnetic field or by a superimposed electrostatic field. The oscillation behavior of the compound droplet is analyzed to measure interfacial tension at the interface of the two phases. In support of the space experiments, a computational fluid dynamic model was developed to characterize the oscillation behavior of multiphase core–shell droplet. The developed model predicted the interfacial tension between molten copper-rich and cobalt-rich phases with a difference of 3.3 pct compared to the values reported in literature. The developed model is being utilized to investigate the influence of various test parameters on measured surface tension and also being extended for molten steel–molten slag systems.

36 MATERIALS SCIENCE↗

Build Orientation Dependent Microstructure in Polymer Laser Sintering: Relationship to Part Performance and Evolution with Aging

Laser sintering (LS) is widely used to produce functional polymeric parts; however, the resulting parts are often limited by their porous structure, and performance of the part may be strongly anisotropic. Relating the structural features of parts to build process conditions or powder feedstock has been explored previously. In contrast, little is known regarding how the unique internal structures of LS parts evolve and relate to their performance later in their life cycle, for example, after use in a real-world operating environment. In this study, a tightly controlled LS build process and measurement campaign by standard X-ray computed tomography (XCT), supported by high-resolution synchrotron XCT, was used to benchmark the internal microstructure (e.g. porosity) as a function of four different build orientations in printed polyamide-12 (PA-12) parts. The initial performance of the parts after printing was characterized by tensile testing and dynamic mechanical analysis (DMA). Arrays of PA-12 parts in different build orientations were exposed to steam (under pressure) and air across multiple temperature and time points for the purposes of accelerated aging through oxidative and hydrolytic breakdown. Exposing parts to steam dramatically altered the internal microstructure and functional properties such as the glass transition temperature, tensile properties, and damping behavior. Notably, post-aging XCT revealed large microstructural changes after only 40 h of steam treatment relative to the as-printed specimens. Furthermore, pore reorganization and changes in crystallinity occurred regardless of whether the steam temperature was aggressive enough to induce a significant loss in mechanical properties. The build orientation dependence on the aging rate was minimal with the relative trend in performance persisting across most metrics among the different orientations even after aging.

36 MATERIALS SCIENCE↗