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At least 1,639 records · Page 91

Complex motion of steerable vesicular robots filled with active colloidal rods

Abstract While the collective motion of active particles has been studied extensively, effective strategies to navigate particle swarms without external guidance remain elusive. We introduce a method to control the trajectories of two-dimensional swarms of active rod-like particles by confining the particles to rigid bounding membranes (vesicles) with non-uniform curvature. We show that the propelling agents spontaneously form clusters at the membrane wall and collectively propel the vesicle, turning it into an active superstructure. To further guide the motion of the superstructure, we add discontinuous features to the rigid membrane boundary in the form of a kinked tip, which acts as a steering component to direct the motion of the vesicle. We report that the system’s geometrical and material properties, such as the aspect ratio and Péclet number of the active rods as well as the kink angle and flexibility of the membrane, determine the stacking of active particles close to the kinked confinement and induce a diverse set of dynamical behaviors of the superstructure, including linear and circular motion both in the direction of, and opposite to, the kink. From a systematic study of these various behaviors, we design vesicles with switchable and reversible locomotions by tuning the confinement parameters. The observed phenomena suggest a promising mechanism for particle transportation and could be used as a basic element to navigate active matter through complex and tortuous environments.

42 ENGINEERING↗

Diverse Manifestations of Electron-Phonon Coupling in a Kagome Superconductor

Recent angle-resolved photoemission spectroscopy (ARPES) experiments on the kagome metal CsV_{3}Sb_{5} revealed distinct multimodal dispersion kinks and nodeless superconducting gaps across multiple electron bands. The prominent photoemission kinks suggest a definitive coupling between electrons and certain collective modes, yet the precise nature of this interaction and its connection to superconductivity remain to be established. Here, employing the state-of-the-art ab initio many-body perturbation theory computation, we present direct evidence that electron-phonon (e-ph) coupling induces the multimodal photoemission kinks in CsV_{3}Sb_{5}, and profoundly, drives the nodeless s-wave superconductivity, showcasing the diverse manifestations of the e-ph coupling. Our calculations well capture the experimentally measured kinks and their fine structures, and reveal that vibrations from different atomic species dictate the multimodal behavior. Results from anisotropic GW-Eliashberg equations predict a phonon-mediated superconductivity with nodeless s-wave gaps, in excellent agreement with various ARPES and scanning tunneling spectroscopy measurements. Despite the universal origin of the e-ph coupling, the contributions of several characteristic phonon vibrations vary in different phenomena, highlighting a versatile role of e-ph coupling in shaping the low-energy excitations of kagome metals.

Electron-phonon coupling↗

STUDIES ON PIPELINE POLYETHYLENES IN HYDROGEN GAS ENVIRONMENTS USING IN-SITU AND EX-SITU CHARACTERIZATION METHODS

Polymeric materials are commonplace in the natural gas infrastructure as distribution pipes, coatings, seals, and gaskets. Under the auspices of the U.S. Department of Energy HyBlend program, one of the means to reduce greenhouse gas emissions is with replacing natural gas, either partially or completely, with hydrogen. This approach makes it imperative that we conduct near-term and long-term materials compatibility research in these relevant environments. Insights into the effects of hydrogen and hydrogen gas blends on polymer integrity can be gained through both ex-situ and in-situ analytical methods. Our work represented here highlights a study of the behavior of pipeline polyethylene (PE) materials, including HDPE (Dow 2490 and GDB50) and MDPE (Ineos and legacy Dupont Aldyl A), when exposed to hydrogen by means of in-situ X-ray scattering and ex-situ Raman spectroscopy techniques. Samples were tested in ex-situ hydrogen and argon gas environments and in-situ hydrogen environments to identify differences due to permeation and solubility of these gases. These methods complemented each other because Raman spectroscopy could capture permanent effects after materials were removed from gaseous environments, and in-situ X-ray scattering analysis collected real-time data to elucidate the impact of the gas environment on polymer microstructure. Data collected revealed that the aforementioned polymers did not show significant changes in crystallinity and microstructure under the exposure conditions tested. Our findings from these studies will help establish real-time effects caused by hydrogen gas transport through pipeline polyethylenes by way of its influence on polymer structure and chemistry, which is directly related to pipeline mechanical strength and longevity of service.

Hydrogen materials compatibility, Natural gas pipe↗

Tribology of Polymer Matrix Composites (PMCs) Fabricated by Additive Manufacturing (AM)

The integral process of depositing thin layers of material, one after another, until the designed component is created is collectively referred to as Additive Manufacturing (AM). Fused deposition process (FDP) is a type of AM where feedstock is extruded into filaments which then are deposited by 3D printing, and the solidification occurs during cooling of the melt. Currently, complex structures are being fabricated by commercial and open source desktop 3D printers. Recently, metal powder containing composite filaments based on polylactic acid (PLA) and acrylonitrile butadiene styrene (ABS) have emerged, which could be utilized for multifunctional applications. For further deployment in the field, especially for aerospace and ground-based applications, it is critical to understand the tribological behavior of 3D printed materials. In this presentation, we will report the tribological behavior of different polymer matrix composites fabricated by fused deposition process. These results will be compared with the base polymer systems. During this study, the tribological behavior of all the samples will be evaluated with tab-on-disc method and compared for different metallic powder reinforcements.

additive manufacturing↗

I Know I'm Right, But Does My Phone?

Transportation is the largest source of green-house gas emissions in the United States. Reducing transportation emissions depends on human travel behavior, which relies on local land use and planning. Travel diaries, consisting of sequences of trips between places for a particular individual, are typically used to instrument human travel behavior. However, these diaries are only as accurate as the underlying methods used to construct them. Travel diary algorithms have been a popular research topic since the advent of GPS tracking surveys. Mode inference algorithms in particular have been well represented in literature. However, these algorithms have typically been validated using prompted recall of pre-segmented trips, which doesn't account for segmentation error, thus disregarding the continuity of mode inference. Furthermore, phone operating systems and applications have adopted battery-conserving techniques, but we are not aware of prior work that has characterized the resulting data collection errors or evaluated procedures to mitigate them. We introduce a framework to evaluate accuracy of trip length computations and mode inference. We develop a temporal alignment procedure in analyzing continuous mode-segmented trajectories for groups of trips. We then apply our framework to evaluate an example set of travel diary algorithms from the open-source OpenPATH travel diary platform against MobilityNet, a public dataset containing information from three artificial timelines that cover 15 different travel modes. Our results show that inference based on an integration with map features results in weighted F_1 scores of 0.60 (iOS) and 0.74 (android). We also show that OpenPATH tends to under count trip length, with mean of signed relative error of -0.0438 on android and -0.0704 on iOS. We hope that other travel diary algorithms will be evaluated using this standardized process, and that the results used to understand and improve the state-of-the-art in this field.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

Flame Chemistry Workshop: a perspective on challenges and strategic actions in combustion experiments and chemical kinetics modeling

Continued progress in the development of predictive models for combustion chemistry—including ignition and flame behavior, species evolution, and combustion system performance—relies on overcoming enduring and emerging challenges in experimental measurements, theoretical formulations, and chemical kinetics mechanism construction. As combustion science continues to coincide with advances in sustainable fuels development, plasma technologies, and automated modeling capabilities, the need for coordinated, community-driven strategies is essential. The Flame Chemistry Workshop (FCWS), held biennially before the International Symposium on Combustion, serves as a dedicated platform to identify, consolidate, and address these challenges in a structured and collaborative manner. This perspective arises from discussions at the 7th FCWS in Milan, Italy (2024), and presents a collective view of the critical barriers currently limiting progress. Across the five technical domains discussed during the 7th FCWS – sustainable fuels combustion, advanced diagnostics for combustion measurements, experiments and modeling in plasma combustion, artificial intelligence and automated methods for theory and mechanisms generation, and chemical kinetic models—a series of persistent and emerging scientific challenges were identified, highlighting the need for deeper integration between three areas: theory, experiments, and modeling. In conclusion, the present article concisely describes present challenges that were identified in each of the technical domains in an effort to streamline and coordinate solutions to accelerate progress in combustion science.

Chemical kinetics↗

Measurements of Born cross sections for e + e − → Λ c + Λ ¯ c ( 2595 ) − + c . c . and e + e − → Λ c + Λ ¯ c ( 2625 ) − + c . c . at s = 4918.0 and 4950.9 MeV

Using e + e − collision data collected with the BESIII detector operating at the BEPCII collider, the Born cross sections of e + e − → Λ c + Λ ¯ c ( 2595 ) − + c . c . and e + e − → Λ c + Λ ¯ c ( 2625 ) − + c . c . are measured for the first time at center-of-mass energies of s = 4918.0 and 4950.9 MeV. Nonzero cross sections are observed very close to the production threshold. The measured Born cross sections of e + e − → Λ c + Λ ¯ c ( 2625 ) − + c . c . are about 2–3 times greater than those of e + e − → Λ c + Λ ¯ c ( 2595 ) − + c . c . , providing the similar behavior as semileptonic decays of Λ b 0 , but different behavior from that in the hadronic decays of Λ b 0 . The Born cross sections are 15.6 ± 3.1 ± 0.9 pb and 29.4 ± 3.7 ± 2.7 pb for e + e − → Λ c + Λ ¯ c ( 2595 ) − + c . c . , and are 43.4 ± 4.0 ± 4.1 pb and 76.8 ± 6.5 ± 4.2 pb for e + e − → Λ c + Λ ¯ c ( 2625 ) − + c . c . at s = 4918.0 and 4950.9 MeV, respectively. Based on the polar angle distributions of the Λ ¯ c ( 2625 ) − and Λ c ( 2625 ) + , the form-factor ratios | G E | 2 + 3 | G M | 2 / | G C | are determined for e + e − → Λ c + Λ ¯ c ( 2625 ) − + c . c . for the first time, which are 5.95 ± 4.07 ± 0.15 and 0.94 ± 0.32 ± 0.02 at s = 4918.0 and 4950.9 MeV, respectively. All of these first uncertainties are statistical and second systematic. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Quasiaperiodic grain boundary phases of Σ⁢5 tilt grain boundaries in refractory metals

We report ground-state structures and phase transitions in Σ⁢5⁢[001] tilt grain boundaries (GBs) in body-centered-cubic (bcc) refractory metals Nb, Ta, Mo, and W. Σ⁢5 tilt GBs have been extensively investigated over the past several decades, with their ground-state structure—composed of kite-shaped structural units—previously thought to be well understood. By performing a rigorous GB structure search that optimizes the number of atoms in the boundary core, we predict different quasiaperiodic “split kite” phases analogous to those previously found in GBs in face-centered-cubic metals. Furthermore, our results suggest that complex aperiodic phases of GBs appear to be a general phenomenon, as validated through density functional theory calculations. Moreover, the atoms in the split kite phase demonstrate distinct collective diffusion dynamics. Phase-contrast image simulations of split kites show better agreement with experimental observations, offering an alternative explanation for previous microscopy results and motivating future atomically resolved imaging of the GB structure.

Body-centered cubic↗

EV Watts Public Database

With the rapid increase in vehicle electrification, there is a need for up-to-date, publicly available national data to understand end user charging and driving patterns, as well as vehicle and infrastructure performance, to inform research planning. Energetics worked with various partners to collect and analyze plug-in electric vehicle (PEV) and electric vehicle supply equipment (EVSE) data from 2019 to 2022. All sensitive attributes have been removed from this publicly available dataset. Researchers from one of the partner national labs under non-disclosure agreement (NDA) can request access to additional attributes by reaching out to evwattsdata@energetics.com.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site

Cytochrome P450 3A4 (CYP3A4) is a major human drug-metabolizing enzyme, notoriously known for its extreme substrate promiscuity, allosteric behavior, and implications in drug–drug interactions. Despite extensive investigations, the mechanism of ligand binding to CYP3A4 is not fully understood. We determined the crystal structure of CYP3A4 complexed with fluorol, a small fluorescent dye that can undergo hydroxylation. In the structure, fluorol associates to the substrate channel, well suited for the binding of planar polyaromatic molecules bearing polar groups, through which stabilizing H-bonds with the polar channel residues, such as Thr224 and Arg372, can be established. Mutagenesis, spectral, kinetic, and functional data confirmed the involvement but not strict requirement of Thr224 for the association of fluorol. Collectively, our data identify the substrate channel as a high-affinity ligand binding site and support the notion that hydrophobic ligands first dock to the nearby peripheral surface, before migrating to the channel and, subsequently, into the active site.

59 BASIC BIOLOGICAL SCIENCES↗

Vibration and buckling of rotating, pretwisted, preconed beams including Cooriolis effects

The effects of pretwist, precone, setting angle and Coriolis forces on the vibration and buckling behavior of rotating, torsionally rigid, cantilevered beams were studied. The beam is considered to be clamped on the axis of rotation in one case, and off the axis of rotation in the other. Two methods are employed for the solution of the vibration problem: (1) one based upon a finite-difference approach using second order central differences for solution of the equations of motion, and (2) based upon the minimum of the total potential energy functional with a Ritz type of solution procedure making use of complex forms of shape functions for the dependent variables. The individual and collective effects of pretwist, precone, setting angle, thickness ratio and Coriolis forces on the natural frequencies and the buckling boundaries are presented. It is shown that the inclusion of Coriolis effects is necessary for blades of moderate to large thickness ratios while these effects are not so important for small thickness ratio blades. The possibility of buckling due to centrifugal softening terms for large values of precone and rotation is shown.

Subrahmanyam, K. B.↗

Vibration and buckling of rotating, pretwisted, preconed beams including Coriolis effects

The effects of pretwist, precone, setting angle and Coriolis forces on the vibration and buckling behavior of rotating, torsionally rigid, cantilevered beams were studied. The beam is considered to be clamped on the axis of rotation in one case, and off the axis of rotation in the other. Two methods are employed for the solution of the vibration problem: (1) one based upon a finite-difference approach using second order central differences for solution of the equations of motion, and (2) based upon the minimum of the total potential energy functional with a Ritz type of solution procedure making use of complex forms of shape functions for the dependent variables. The individual and collective effects of pretwist, precone, setting angle, thickness ratio and Coriolis forces on the natural frequencies and the buckling boundaries are presented. It is shown that the inclusion of Coriolis effects is necessary for blades of moderate to large thickness ratios while these effects are not so important for small thickness ratio blades. The possibility of buckling due to centrifugal softening terms for large values of precone and rotation is shown.

Subrahmanyam, K. B.↗

An empirical approach to predicting long term behavior of metal particle based recording media

Alpha iron particles used for magnetic recording are prepared through a series of dehydration and reduction steps of alpha-Fe2O3-H2O resulting in acicular, polycrystalline, body centered cubic (bcc) alpha-Fe particles that are single magnetic domains. Since fine iron particles are pyrophoric by nature, stabilization processes had to be developed in order for iron particles to be considered as a viable recording medium for long term archival (i.e., 25+ years) information storage. The primary means of establishing stability is through passivation or controlled oxidation of the iron particle's surface. A study was undertaken to examine the degradation in magnetic properties as a function of both temperature and humidity on silicon-containing iron particles between 50-120 C and 3-89 percent relative humidity. The methodology to which experimental data was collected and analyzed leading to predictive capability is discussed.

Hadad, Allan S.↗

Determination of the Corrosive Conditions Present within Aircraft Lap-Splice Joints

The complexity of airframe structure lends itself to damage resulting from crevice corrosion. Fuselage lap-splice joints are a particularly important structural detail in this regard because of the difficulty associated with detection and measurement of corrosion in these occluded regions. The objective of this work is to develop a laboratory corrosion test protocol to identify the chemistry to which lap joints are exposed and to develop a model of the corrosion within the joints. A protocol for collecting and identifying the chemistry of airframe crevice corrosion has been developed. Capillary electrophoresis (CE) is used to identify the ionic species contained in corrosion product samples removed from fuselage lap splice joints. CE analysis has been performed on over sixty corrosion product samples removed from both civilian and military aircraft. Over twenty different ions have been detected. Measurements of pH of wetted corroded surfaces indicated an alkaline occluded solution. After determining the species present and their relative concentrations, the resultant solution was reproduced in bulk and electrochemical tests were performed to determine the corrosion rate. Electrochemical analyses of the behavior of AA2024-T3 in these solutions gave corrosion rates of up to 250 microns per year (10 mpy). Additional tests have determined the relative importance of each of the detected ions in model solutions used for future predictive tests. The statistically significant ions have been used to create a second generation solution. Laboratory studies have also included exposure tests involving artificial lap joints exposed to various simulated bulk and crevice environments. The extent and morphology of the attack in artificial lap joints has been compared to studies of corroded samples from actual aircraft. Other effects, such as temperature and potential, as well as the impact of the environment on fatigue crack growth have also been studied.

Lewis, Karen S.↗

BOREAS TE-9 In Situ Understory Spectral Reflectance Within the NSA

The Boreal Ecosystem-Atmospheric Study (BOREAS) TE-9 (Terrestrial Ecology) team collected several data sets related to chemical and photosynthetic properties of leaves in boreal forest tree species. Spectral reflection coefficients of the forest understory at the ground level, in three boreal forest sites of Northern Manitoba (56 N latitude and 98 W longitude), were obtained and analyzed in 1994. In particular, angular variation of the reflection coefficients in the old jack pine and young jack pine forests, as well as nadir reflection coefficient in the young aspen forest, were investigated. The complexity of understory composition and the light patterns limited quantitative conclusions; however, a number of interesting trends in the behavior of the measured values can be inferred. In particular, the unique spectral profiles of lichens show very strongly in the old jack pine understory, yet are definitely less conspicuous for young jack pine, and virtually absent in the aspen forest. The angular variation of the reflection coefficient by the young pine understory seems to be significantly toned down by fine-structured branches and their shadows. Our study also indicates how difficult the ground reflection coefficient problem in a forest is, compared to certain previously investigated areas that have a more uniform appearance, such as prairie grassland, bare soil, or agricultural crops. This is due to several factors, generally typical of a forest environment, that may influence the overall understory reflection coefficient, including: (1) a strong diversity of the forest floor due to the presence of dead tree trunks, holes in the ground, patches of different types of vegetation or litter, etc.; (2) pronounced 3-D structures at the ground level, such as shrubs, bushes, and young trees; and (3) an irregular shadow mosaic, which not only varies with the time of the day, causing intensity variations, but likely also effectively modifies the spectrum of the illuminating light and hence the reflection coefficient signal as well The data are stored in tabular ASCII files. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Active Archive Center (DAAC).

Hall, Forrest G.↗

Providing Effective Access to Shared Resources: A COIN Approach

Managers of systems of shared resources typically have many separate goals. Examples are efficient utilization of the resources among its users and ensuring no user's satisfaction in the system falls below a preset minimal level. Since such goals will usually conflict with one another, either implicitly or explicitly the manager must determine the relative importance of the goals, encapsulating that into an overall utility function rating the possible behaviors of the entire system. Here we demonstrate a distributed, robust, and adaptive way to optimize that overall function. Our approach is to interpose adaptive agents between each user and the system, where each such agent is working to maximize its own private utility function. In turn, each such agent's function should be both relatively easy for the agent to learn to optimize, and 'aligned' with the overall utility function of the system manager - an overall function that is based on but in general different from the satisfaction functions of the individual users. To ensure this we enhance the COllective INtelligence (COIN) framework to incorporate user satisfaction functions in the overall utility function of the system manager and accordingly in the associated private utility functions assigned to the users agents. We present experimental evaluations of different COIN-based private utility functions and demonstrate that those COIN-based functions outperform some natural alternatives.

Airiau, Stephane↗

Providing Effective Access to Shared Resources: A COIN Approach

Managers of systems of shared resources typically have many separate goals. Examples are efficient utilization of the resources among its users and ensuring no user s satisfaction in the system falls below a preset minimal level. Since such goals will usually conflict with one another, either implicitly or explicitly the manager must determine the relative importance of the goals, encapsulating that into an overall utility function rating the possible behaviors of the entire system. Here we demonstrate a distributed, robust, and adaptive way to optimize that overall function. Our approach is to interpose adaptive agents between each user and the system, where each such agent is working to maximize its own private utility function. In turn, each such agent's function should be both relatively easy for the agent to learn to optimize, and "aligned" with the overall utility function of the system manager - an overall function that is based on but in general different from the satisfaction functions of the individual users. To ensure this we enhance the Collective INtelligence (COIN) framework to incorporate user satisfaction functions in the overall utility function of the system manager and accordingly in the associated private utility functions assigned to the users agents. We present experimental evaluations of different COIN-based private utility functions and demonstrate that those COIN-based functions outperform some natural alternatives.

Airiau, Stephane↗

Video Summarization Using Deep Action Recognition Features and Robust Principal Components Analysis

In an instance where desired pre-defined actions, behaviors, or other categories are known a priori, various video classification and recognition models can be trained to discover those classifications and their location within the video. Absent that information, one might still be tasked with identifying interesting portions within a video, a process which—if done manually—is onerous and time-consuming as it requires manual inspection of the video itself. Recognizing high-level interesting segments within a whole video has been a general area of interest due to the ubiquity of video data. However the size of the data makes storage, retrieval, and inspection of large collections of videos cumbersome. This problem motivates the task of generating shortened clips highlighting the primary content of a video, relieving the burden of having to watch the entire video. This paper presents an unsupervised method of creating shortened clips of videos, enabling the rapid review of the most interesting content within a video. Our method uses features extracted from pre-trained action recognition models as input to online moving window robust principal component analysis to generate summaries. The procedure is tested on a publicly available video summarization dataset and demonstrates comparable performance to state-of-the-art in an un-augmented setting while requiring no training.

Claborne, Daniel M.↗