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At least 577 records · Page 32

The efficacy of event isotropy as an event shape observable

Event isotropy $\mathcal{I}$ sph , an event shape observable that measures the distance of a final state from a spherically symmetric state, is designed for new physics signals that are far from QCD-like. Using a new technique for producing a wide variety of signals that can range from near-spherical to jetty, we compare event isotropy to other observables. We show that thrust T and the C parameter (and λ max , the largest eigenvalue of the sphericity matrix) are strongly correlated and thus redundant, to a good approximation. By contrast, event isotropy adds considerable information, often serving to break degeneracies between signals that would have almost identical T and C distributions. Signals with broad distributions in T (or λ max ) and in $\mathcal{I}$ sph separately often have much narrower distributions, and are more easily distinguished, in the ($\mathcal{I}$ sph , λ max ) plane. An intuitive, semi-analytic estimation technique clarifies why this is the case and assists with the interpretation of the distributions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Coral and Seawater Metagenomes Reveal Key Microbial Functions to Coral Health and Ecosystem Functioning Shaped at Reef Scale

The coral holobiont is comprised of a highly diverse microbial community that provides key services to corals such as protection against pathogens and nutrient cycling. The coral surface mucus layer (SML) microbiome is very sensitive to external changes, as it constitutes the direct interface between the coral host and the environment. Here, we investigate whether the bacterial taxonomic and functional profiles in the coral SML are shaped by the local reef zone and explore their role in coral health and ecosystem functioning. The analysis was conducted using metagenomes and metagenome-assembled genomes (MAGs) associated with the coral Pseudodiploria strigosa and the water column from two naturally distinct reef environments in Bermuda: inner patch reefs exposed to a fluctuating thermal regime and the more stable outer reefs. The microbial community structure in the coral SML varied according to the local environment, both at taxonomic and functional levels. The coral SML microbiome from inner reefs provides more gene functions that are involved in nutrient cycling (e.g., photosynthesis, phosphorus metabolism, sulfur assimilation) and those that are related to higher levels of microbial activity, competition, and stress response. In contrast, the coral SML microbiome from outer reefs contained genes indicative of a carbohydrate-rich mucus composition found in corals exposed to less stressful temperatures and showed high proportions of microbial gene functions that play a potential role in coral disease, such as degradation of lignin-derived compounds and sulfur oxidation. The fluctuating environment in the inner patch reefs of Bermuda could be driving a more beneficial coral SML microbiome, potentially increasing holobiont resilience to environmental changes and disease.

59 BASIC BIOLOGICAL SCIENCES↗

Uncertain role of clouds in shaping summertime atmosphere-sea ice connections in reanalyses and CMIP6 models

Downwelling longwave radiation (DLR) driven by the atmospheric and cloud conditions in the troposphere is suggested to be a dominant factor to determine the summertime net surface energy budget over the Arctic Ocean and thus plays a key role to shape the September sea ice. We use reanalyses and the self-organizing map (SOM) method to distinguish CMIP6 model performance in replicating the observed strong atmosphere-DLR connection. We find all models can reasonably simulate the linkage between key atmosphere variables and the clear sky DLR but behave differently in replicating the atmosphere-DLR connection due to cloud forcing. In ERA5 and strongly coupled models, tropospheric high pressure is associated with decreased clouds in the mid- and high-levels and increased clouds near the surface. This out-of-phase structure indicates that DLR cloud forcing is nearly neutral, making the clear sky DLR more important to bridge JJA circulation to late-summer sea ice. In MERRA-2 and weakly coupled models, tropospheric clouds display a vertically homogeneous reduction; the cloud DLR is thus strongly reduced due to the cooling effect, which partially cancels out the clear sky DLR and makes the total DLR less efficient to translate circulation forcing to sea ice. The differences of cloud vertical distribution in CMIP6 appear to be differentiated by circulation related relative humidity. Therefore, a better understanding of the discrepancy of different reanalyses and remote sensing products is critical to comprehensively evaluate simulated interactions among circulation, clouds, sea ice and energy budget at the surface in summer.

54 ENVIRONMENTAL SCIENCES↗

Caloric Effects Induced by Uniform and Non-uniform Stress in Shape-Memory Materials

A Ginzburg–Landau model is developed that is adequate to describe a square-to-rectangle martensitic transition with associated shape-memory and superelastic properties. Using this model we study caloric effects in the vicinity of the martensitic transition induced by stress and we compare the case of a uniform uniaxial stress and the case of a non-uniform continuous distribution of stresses that produce bending of the material. The former case corresponds to an elastocaloric effect and the latter corresponds to a flexocaloric effect. The aim of the work is to quantitatively compare both cases, which we show must be accomplished in terms of equal amounts of exchanged mechanical work. It is then obtained that the flexocaloric effect is more efficient for low exchanged work but less efficient for large exchanged work.

36 MATERIALS SCIENCE↗

Influence of fluorescent dopants on the vat photopolymerization of acrylate-based plastic scintillators for application in neutron/gamma pulse shape discrimination

Plastic scintillators, a class of solid-state materials used for radiation detection, were additively manufactured with vat photopolymerization. The photopolymer resins consisted of a primary dopant and a secondary dopant dissolved in a bisphenol A ethoxylate diacrylate-based matrix. The absorptive dopants significantly influence important print parameters, for example, secondary dopants decrease the light penetration depth by a factor > 12×. The primary dopant 2,5-diphenyloxazole had minimal impact on the printing process even when loaded at 25 % by mass of the resin. Working curve measurements, which relate energy dose to cure depth, were performed as a function of feature size to further assess the influence of dopants. Photopatterns smaller than 150 µm width had apparent increases in critical energy dose compared to larger photopatterns, while all resins maintained printed features in line gratings with 50 µm of separation. Printed scintillator monoliths were compared to scintillators cast by traditional molding, demonstrating that the layer-by-layer printing process does not decrease scintillation response. In conclusion, a maximum light output of 31 % of a benchmark plastic scintillator (EJ-200) and successful pulse shape discrimination were achieved with 20 % by mass 2,5-diphenyloxazole as the primary dopant and 0.1 % by mass 9,9-dimethyl-2,7-distyrylfluorene as the secondary dopant in printed scintillator samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modification of conventional peak shapes to accurately represent spectral asymmetry: High-Resolution X-ray photoelectron spectra of [C 4 C 1 Pyrr][NTf 2 ] and [C 8 C 1 Im][NTf 2 ] ionic liquids

X-ray photoelectron spectroscopy (XPS) is one of the most widely used techniques for surface characterization. Analysis of XPS data is challenging and requires the analyst to fit the data with synthetic line shapes to reach physically meaningful interpretations. Experimental spectral envelopes, however, are complex and display asymmetric features that are often ignored or attributed to additional chemical components. The high-resolution XPS spectra of [C 4 C 1 Pyrr][NTf 2 ] and [C 8 C 1 Im][NTf 2 ] all exhibit a degree of asymmetry which is systematically observed at the higher binding energy side of photoemission envelopes. Here, we present the development of a refined fitting procedure for XPS spectra of these ionic liquid-based systems which include (a) Shirley background offset necessary to account for the insulator-like region and (b) spectral asymmetry in C 1s and N 1s regions. Further, Shirley and trapezoid components are applied to compensate for inelastic scattering taking place during electron transitions as high as 7.8 eV above the start of the fitting region in C 1s high-resolution spectrum. To demonstrate the fitness of this model, we present an analysis of a 2:1 mixture of [C 4 C 1 Pyrr][NTf 2 ]: [C 8 C 1 Im][NTf 2 ].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Higher-order interaction effects among operating conditions and feedstocks shape reactor microbiomes and fatty acid production profiles

Arrested anaerobic digestion (AAD) offers a promising route for producing fatty acids (FAs) from organic residues, yet optimal conditions for selectively generating medium-chain fatty acids (MCFAs) remain poorly defined. Here, we systematically evaluated the main and interaction effects of pH (5, 7, 9), feedstock (food waste, manure), temperature (35 and 45 °C), and inoculum source on microbiome composition and FA production. Anaerobic digester sludge and a novel bison rumen inoculum were compared. Significant higher-order interactions among operating parameters governed FA profiles and microbiome structure. Butyric acid production was driven by a three-way interaction among pH, feedstock, and temperature (p < 0.001), with maximum concentrations achieved in food waste reactors at pH 5.0 and 35 °C (1.2 ± 0.1 g L −1 with sludge and 1.1 ± 0.3 g L −1 with rumen). MCFA production exhibited significant four-way interactions (p < 0.1 to p < 0.001). At 45 °C and pH 5.0, inoculum source tuned MCFA selectivity: sludge favored pentanoic acid (0.4 ± 0.1 g L −1 ), whereas rumen favored hexanoic and heptanoic acids (up to 0.4 ± 0.2 g L −1 ). Manure reactors produced < 0.2 g L −1 MCFAs under all conditions. Genera, including Megasphaera, Prevotella, and Lactobacillus, were associated with production of specific MCFAs. PICRUSt2-based pathway predictions were consistent with MCFA production patterns and suggested a potential role for lactic acid–driven chain elongation pathways. This study provides insights into how interacting operating conditions shape AAD microbiomes, their FA profiles, and advances the trajectory of research aimed at engineering robust and controllable microbiomes for waste valorization.

09 BIOMASS FUELS↗

Unique W-Shape Y6 isomer as effective solid additive for High-Performance PM6:Y6 polymer solar cells

The current top-performing polymer solar cell (PSC) systems are mostly based on PM6:Y6 host blend. To date, numerous materials have been explored as the third component for these systems to form ternary blends or as additives. Vitrification agents are a group of additives proved to be useful in affecting the morphology of organic semiconductors. Here to design a suitable vitrification agent for non-fullerene electron acceptor Y6, an isomer strategy was explored where the thienothiophene wings of the Y6 molecule were inversed to form a W-shaped Y6 isomer of i-Y6. It was found that i-Y6 crystallized poorly with a different packing style than Y6 and could blend well in amorphous phase of Y6. These properties enabled i-Y6 to finely tune the morphology of PM6:Y6 blend at low additive dosages. The power conversion efficiency (PCE) of PM6:Y6 based PSC was raised from 16.827% to 17.433% at a dosage of Y6:i-Y6 ratio of 24:1. This work demonstrated isomerization as a viable strategy for developing solid additives for high performance PSC blends and vitrification agents as effective additives for tuning morphology and improving performances of PSCs.

36 MATERIALS SCIENCE↗

VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage

Rare mutations have been proposed to restrict the development of broadly neutralizing antibodies against HIV-1, but this has not been explicitly demonstrated. We hypothesized that such rare mutations might be identified by comparing broadly neutralizing and non-broadly neutralizing branches of an antibody-developmental tree. Because sequences of antibodies isolated from the fusion peptide (FP)-targeting VRC34-antibody lineage suggested it might be suitable for such rare mutation analysis, we carried out next-generation sequencing (NGS) on B cell transcripts from donor N123, the source of the VRC34 lineage, and functionally and structurally characterized inferred intermediates along broadly neutralizing and poorly neutralizing developmental branches. The broadly neutralizing VRC34.01 branch required the rare heavy-chain mutation Y33P to bind FP, whereas the early bifurcated VRC34.05 branch did not require this rare mutation and evolved less breadth. Our results demonstrate how a required rare mutation can restrict development and shape the maturation of a broad HIV-1-neutralizing antibody lineage.

59 BASIC BIOLOGICAL SCIENCES↗

A crystal-plasticity-informed Gaussian Process Regression model to capture anisotropy in single crystal shape memory alloys

This work presents a machine learning (ML) framework that model the anisotropic actuation responses in a shape memory alloy. A Gaussian Process Regression (GPR) based ML model is trained on a set of different crystal orientations subjected to different actuation conditions. The training employed thermo-mechanical responses from a crystal-plasticity model that captures phase-transformation, stress-induced plasticity, and transformation-induced plasticity. Further, on training the GPR-ML model at fixed stress level for different orientations, it captured the thermo-mechanical responses accounting for the anisotropy, and predicted responses for new orientations with good accuracy. The GPR-ML model is able to capture the transformation temperature variations even when trained using multiple stress levels, and the transformation strain showed significant deviations. The developed GPR-ML model gave reasonable predictions for an unexplored sample set of orientations and loading conditions.

36 MATERIALS SCIENCE↗

Nanocrystal programmable assembly beyond hard spheres (or shapes) and other (simple) potentials

Ligands are the key to almost any strategy in the assembly of programmable nanocrystals (or nanoparticles) and must be accurately considered in any predictive model. Hard Spheres (or Shapes) provide the simplest and yet quite successful approach to assembly, with remarkable sophisticated predictions verified in experiments. There are, however, many situations where hard spheres/shapes predictions fail. This prompts three important questions: In what situations should hard spheres/shapes models be expected to work? and when they do not work, Is there a general model that successfully corrects hard sphere/shape predictions? and given other successful models where ligands are included explicitly, and of course, numerical simulations, can we unify hard sphere/shape models, explicit ligand models and all atom simulations? . Further, the Orbifold Topological Model (OTM) provides a positive answer to these three questions. In this paper, I give a detailed review of OTM, describing the concept of ligand vortices and how it leads to spontaneous valence and nanoparticle “eigenshapes” while providing a prediction of the lattice structure, without fitting parameters, which accounts for many body effects not captured by (two-body) potentials. I present a thorough survey of experiments and simulations and show that, to this date, they are in full agreement with the OTM predictions. I conclude with a discussion on whether NC superlattices are equilibrium structures and some significant challenges in structure prediction.

36 MATERIALS SCIENCE↗

Local convection characteristics of inline arrangement of Kagome-shaped unit cells in a square duct

Transient liquid crystal thermography experiments have been conducted to determine detailed convective heat transfer coefficients at the endwalls of lattice-frame configurations based on Kagome-shaped unit cells. Kagome unit cells with porosity of 0.88 were arranged in an inline manner, where two such arrangements were studied. In the first arrangement, a total of ten unit cells were placed next to each other along the streamwise direction resulting in a continuous configuration. In the 2nd arrangement, alternate unit cells from the continuous configuration were dropped, resulting in a discrete configuration which featured a total of 5 Kagome unit cells. Due to the asymmetric nature of the strut connections within the unit cell, the convective heat transfer coefficient maps were determined for the two opposite walls where the struts meet the endwalls. Transient liquid crystal experiments were conducted for Reynolds number ranging between 10,000 and 30,000. Here, the study was focused on the developing nature of flow along the streamwise direction and the local convection characteristics for continuous and discrete arrangement of unit cells. For the continuous configuration, the Nusselt number ratios (N u /Nu 0 ) varied between 3.15–3.46 and 2.75–2.89 for the two walls A and B, respectively. For the discrete configuration, convective heat transfer coefficients varied between 2.56–2.71 and 2.09–2.40 for the two walls. Kagome unit cells have the potential to be fabricated through inexpensive manufacturing routes such as wire-woven method and these unit cells find their applications in the areas which require different heat transfer levels on opposite walls.

Kagome↗

Predicting extreme anisotropy and shape variations in impact testing of tantalum single crystals

We report recent Taylor cylinder impact tests carried out for Ta single crystals showed strong variations in dimensional changes for different crystallographic directions aligned with the cylindrical axis. In order to capture the effect of crystallography on the deformation characteristics and final shapes of the impacted cylinders, a single crystal material subroutine is adapted and embedded in the solid mechanics/dynamics Finite Element solver Abaqus to simulate the aforementioned single crystal Ta Taylor impact experiments. Details of the coupled model implementation, and insights on the role played by single crystal anisotropic flow on the deformation behavior across a broad range of strain rates and temperatures for different single crystal orientations are presented and discussed. We demonstrate the predictive capability of the adopted crystal plasticity model to capture the significant role played by crystal orientation-induced anisotropy, as well as strain hardening and adiabatic heating, on the dynamic deformation response of crystalline materials. This re-emphasizes the need of microstructure-aware models to improve the accuracy of simulations for high-consequence engineering design.

36 MATERIALS SCIENCE↗

A physics informed model for the prediction of surface energies and the shape of metal particles

Surface energies of metal-based systems are important for determining the Wulff-constructed shapes of metal nanoparticles and understanding the stability. We have developed a physics informed method to predict the total energy of metal-based systems across a wide range of configurations. Our method has been tested against density functional theory (DFT) calculations for late transition metals. This method enables on-the-fly surface energy predictions based on the fundamental of materials property and allows for the Wulff construction of metal particles for a random number of elemental atoms and without the need for DFT calculations. By making a division between atoms in the different layers of the model system, we can improve the accuracy of the model, suggesting a dissimilarity between the electronic structure due to an alternating compression and expansion of atomic layers. We find that our model accurately and effectively provides valuable insights into the distribution and stability of nanoparticles.

Mandal, Shyama Charan (ORCID:0000000245882874)↗

Review of additive manufacturing and densification techniques for the net- and near net-shaping of geometrically complex silicon nitride components

Silicon nitride (Si 3 N 4 ) is an advantageous material due its unique combination of mechanical, thermal, chemical, and electrical properties both at ambient and elevated temperatures. Because of these properties there are a wide range of applications for Si 3 N 4 components. Applications include heat exchangers, environmental barrier coatings, osteointegration scaffolds, radomes, and integrated circuitry. Furthermore, such applications often require geometric complexity for efficient and/or effective operation. However, traditional ceramics processing methods such as hot-pressing or die extrusion are typically limited to simple axis-symmetric shapes. With the advent of additive manufacturing, there has been significant advancement into the forming of geometrically complex Si 3 N 4 components. This review documents additive manufacturing advancements that have demonstrated, or are capable of, fabricating Si 3 N 4 components with complex geometry.

36 MATERIALS SCIENCE↗

Magnetic circuit for Abrikosov vortices: Vortex motion in a periodic labyrinth of magnetic T and I-shaped elements under a superconducting film

Here we explore tailored labyrinth-like vortex motion in a niobium film placed on top of periodic arrays of T and I -shaped permalloy elements by imaging the vortex distribution in magnetic fields applied perpendicular to the superconducting layer under different in-plane polarizations of the TI structure. At low temperatures, we observe pronounced meandering of vortex motion around the TI elements. Remarkably, vortices can easily penetrate the sample along the TI columns even though the average vortex pinning in the patterned area is larger than in a bare niobium film. Accordingly, at temperatures close to the superconducting transition temperature, T c , the voltagecurrent curves in the patterned area show an earlier departure from the zero-resistivity state at small currents, followed by slower growth with increasing current as compared to the un-patterned film. We present a model based on magnetostatic interactions between magnetic charges at the edges of the polarized TI-elements and single magnetic charges of induced vortices to account for this behavior. We expect that similar magnetic structures imposing labyrinth-like vortex motion could be used for collective entanglement of vortices envisioned in quantum circuit operations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Coarse-grained methods for heterogeneous vesicles with phase-separated domains: Elastic mechanics of shape fluctuations, plate compression, and channel insertion

We develop coarse-grained particle approaches for studying the elastic mechanics of vesicles with heterogeneous membranes having phase-separated domains. We perform simulations both of passive shape fluctuations and of active systems where vesicles are subjected to compression between two plates or subjected to insertion into narrow channels. Analysis methods are developed for mapping particle configurations to continuum fields with spherical harmonics representations. Heterogeneous vesicles are found to exhibit rich behaviors where the heterogeneity can amplify surface two-point correlations, reduce resistance during compression, and augment vesicle transport times in channels. The developed methods provide general approaches for characterizing the mechanics of coarse-grained heterogeneous systems taking into account the roles of thermal fluctuations, geometry, and phase separation.

97 MATHEMATICS AND COMPUTING↗

Identification of the optimal carbon fiber shape for cost-specific compressive performance

We report carbon fiber composites offer superior mechanical performance compared to nearly all other useful materials for the design of structures. However, for cost-driven industries, such as with the wind energy and vehicle industries, the cost of commercial carbon fiber materials is often prohibitive for their usage compared to alternatives. This paper develops an approach to optimize fiber geometries for use in carbon fiber reinforced polymers to increase the compressive strength per unit cost. Compressive strength is a composite property that depends on the fiber, matrix, and interface, and an exact analytic expression does not exist that can accurately represent these complicated relationships. The approach taken instead is to use a weighted summation between the fiber cross-sectional area moment of inertia and perimeter as a proxy for compressive strength, with different weightings explored within the paper. Analyses are performed to identify optimal fiber geometries that increase the cost-specific compressive strength based on various assumptions and desired fiber volume fraction. Robust optimal shapes are identified which outperform circular fibers due to increases in area moment of inertia and perimeter, as well as decreases in carbon fiber processing costs.

36 MATERIALS SCIENCE↗