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At least 451 records · Page 25

Disordered Rocksalts as High‐Energy and Earth‐Abundant Li‐Ion Cathodes

To address the growing demand for energy and support the shift toward transportation electrification and intermittent renewable energy, there is an urgent need for low‐cost, energy‐dense electrical storage. Research on Li‐ion electrode materials has predominantly focused on ordered materials with well‐defined lithium diffusion channels, limiting cathode design to resource‐constrained Ni‐ and Co‐based oxides and lower‐energy polyanion compounds. Recently, disordered rocksalts with lithium excess (DRX) have demonstrated high capacity and energy density when lithium excess and/or local ordering allow statistical percolation of lithium sites through the structure. This cation disorder can be induced by high temperature synthesis or mechanochemical synthesis methods for a broad range of compositions. DRX oxides and oxyfluorides containing Earth‐abundant transition metals have been prepared using various synthesis routes, including solid‐state, molten‐salt, and sol‐gel reactions. This review outlines DRX design principles and explains the effect of synthesis conditions on cation disorder and short‐range cation ordering (SRO), which determines the cycling stability and rate capability. In addition, strategies to enhance Li transport and capacity retention with Mn‐rich DRX possessing partial spinel‐like ordering are discussed. Finally, the review considers the optimization of carbon and electrolyte in DRX materials and addresses key challenges and opportunities for commercializing DRX cathodes.

Li-ion batteries↗

Soft and Stretchable Thienopyrroledione–Based Polymers via Direct Arylation

π-conjugated polymers (CPs) that are concurrently soft and stretchable are needed for deformable electronics. Molecular-level modification of indacenodithiophene (IDT) copolymers, a class of CPs that exhibit high hole mobilities (μ hole ), is an approach that can help realize intrinsically soft and stretchable CPs. Numerous examples of design strategies to adjust the stretchability of CPs exist, but imparting softness is comparatively less studied. In this study, a systematic molecular weight (MW) series is constructed on a promising candidate for soft CPs, poly(indacenodithiophene-co-thienopyrroledione) (p(IDT C16- TPD C8 )), by optimizing direct arylation polymerization conditions in hopes of improving stretchability and μhole without significantly impacting softness. We found p(IDT C16- TPD C8 ) at a degree of polymerization of 32 shows high stretchability (crack onset strain, CoS > 100%) without significantly impacting softness (elastic modulus, E = 32 MPa), which to the best of our knowledge outperforms previously reported stretchable and soft CPs. To further study how molecular-level modifications impact polymer properties, a MW series of a new extended donor unit polymer, poly(indacenodithienothiophene-co-thienopyrroledione) (p(IDTT C16- TPD C8 )), was synthesized. The IDTT C16 copolymers did not result in a greater average μ hole when comparing between p(IDTT C16- TPD C8 ) and p(IDT C16- TPD C8 ) despite their higher crystallinity observed by GIWAXS. While these findings warrant further investigation, this study points toward unique charge transport properties of IDT-based polymers.

direct arylation polymerization↗

Intrinsic and environmental drivers of pairwise cohesion in wild Canis social groups

Animals within social groups respond to costs and benefits of sociality by adjusting the proportion of time they spend in close proximity to other individuals in the group (cohesion). Variation in cohesion between individuals, in turn, shapes important group-level processes such as subgroup formation and fission–fusion dynamics. Although critical to animal sociality, a comprehensive understanding of the factors influencing cohesion remains a gap in our knowledge of cooperative behavior in animals. We tracked 574 individuals from six species within the genus Canis in 15 countries on four continents with GPS telemetry to estimate the time that pairs of individuals within social groups spent in close proximity and test hypotheses regarding drivers of cohesion. Pairs of social canids (Canis spp.) varied widely in the proportion of time they spent together (5%–100%) during seasonal monitoring periods relative to both intrinsic characteristics and environmental conditions. The majority of our data came from three species of wolves (gray wolves, eastern wolves, and red wolves) and coyotes. For these species, cohesion within social groups was greatest between breeding pairs and varied seasonally as the nature of cooperative activities changed relative to annual life history patterns. Across species, wolves were more cohesive than coyotes. For wolves, pairs were less cohesive in larger groups, and when suitable, small prey was present reflecting the constraints of food resources and intragroup competition on social associations. Pair cohesion in wolves declined with increased anthropogenic modification of the landscape and greater climatic variability, underscoring challenges for conserving social top predators in a changing world. We show that pairwise cohesion in social groups varies strongly both within and across Canis species, as individuals respond to changing ecological context defined by resources, competition, and anthropogenic disturbance. Our work highlights that cohesion is a highly plastic component of animal sociality that holds significant promise for elucidating ecological and evolutionary mechanisms underlying cooperative behavior.

59 BASIC BIOLOGICAL SCIENCES↗

Charge Regulation Stabilizes the Formation of Ionic Liquid‐Based Amphiphilic Oligomer Droplet Interface Bilayers

Amphiphilic charged oligomers (oligodimethylsiloxane – methylimidazolium cation, ODMS-MIM (+) ), assemble into bilayers using the droplet interface bilayer (DIB) platform, possess similar size and functionality as phospholipid bilayers, but exhibit increased stability. The oligomer ionic headgroups (MIM (+) ) are covalently bound to monodisperse, short-chain (n = 13) hydrophobic tails (ODMS). These self-assemble as monolayer brushes at the oil–aqueous interface of water droplets that are influenced by both the charged cationic headgroups, and the nature of the covalently attached tails in the organic phase. Charge regulation (CR) stabilizes the formation of ordered, molecularly close-packed brush phases, which results in highly insulating, stable DIB membranes, with contributions from specific ion-pairing effects, Debye screening, and voltage-dependent electrocompressive stresses. In the oil phase, interactions between hexadecane, a good solvent for ODMS, and the hydrophobic tails result in extended waiting times for bilayer formation compared to phospholipid DIBs, for which hexadecane is a poor solvent. Close agreement between experimental values and predictions for two key parameters, the critical membrane thickness, h c , and maximal grafted headgroup density, Γ 0 , validate an electrostatic CR model consisting of adsorption and partial neutralization of counterions at a charged interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accelerating Discovery of Solid‐State Thin‐Film Metal Dealloying for 3D Nanoarchitecture Materials Design through Laser Thermal Gradient Treatment

Thin‐film solid‐state metal dealloying (thin‐film SSMD) is a promising method for fabricating nanostructures with controlled morphology and efficiency, offering advantages over conventional bulk materials processing methods for integration into practical applications. Although machine learning (ML) has facilitated the design of dealloying systems, the selection of key thermal treatment parameters for nanostructure formation remains largely unknown and dependent on experimental trial and error. To overcome this challenge, a workflow enabling high‐throughput characterization of thermal treatment parameters is demonstrated using a laser‐based thermal treatment to create temperature gradients on single thin‐film samples of Nb‐Al/Sc and Nb‐Al/Cu. This continuous thermal space enables observation of dealloying transitions and the resulting nanostructures of interest. Through synchrotron X‐ray multimodal and high‐throughput characterization, critical transitions and nanostructures can be rapidly captured and subsequently verified using electron microscopy. The key temperatures driving chemical reactions and morphological evolutions are clearly identified. While the oxidation may influence nanostructure formation during thin‐film treatment, the dealloying process at the dealloying front involves interactions solely between the dealloying elements, highlighting the availability and viability of the selected systems. Further, this approach enables efficient exploration of the dealloying process and validation of ML predictions, thereby accelerating the discovery of thin‐film SSMD systems with targeted nanostructures.

36 MATERIALS SCIENCE↗

Light dark matter search with nitrogen-vacancy centers in diamonds

We propose an approach to directly search for light dark matter, such as the axion or the dark photon, by using magnetometry with nitrogen-vacancy centers in diamonds. If the dark matter couples to the electron spin, it affects the evolution of the Bloch vectors consisting of the spin triplet states, which may be detected through several magnetometry techniques. We give several concrete examples with the use of dc and ac magnetometry and estimate the sensitivity on dark matter couplings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Testing CP properties of the Higgs boson coupling to τ leptons with heterogeneous graphs

In this paper we explore the possibility of utilizing Deep Learning in measuring the CP properties of the coupling of Higgs boson to τ leptons at the High Luminosity Large Hadron Collider. We employ three Deep Learning (DL) networks, Multi-Layer Perceptron (MLP), Graph Convolution Network (GCN), and Graph Transformer Network (GTN) to enhance signal-to-background separation. The angle between τ lepton decay planes at the detector level is CP-sensitive observables, and we develop Heterogeneous Graphs that integrate diverse node and edge structures to incorporate the CP-sensitive observable efficiently. Using simplified detector simulations we estimate the reconstruction accuracy of the angle between τ lepton planes at the detector level, considering hadronic τ decay modes and standard model backgrounds. With $\sqrt{s}$ = 14 TeV and $\mathcal{L}$ = 100 fb -1 , MLP excludes CP mixing angles above 20° at 68% confidence level (CL), while GCN and GTN achieve exclusions at 90% CL and 95% CL, respectively. The networks also achieve a 3σ significance in excluding a pure CP-odd state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Global Gyrokinetic Simulations of Isotope Effects under Ambipolar Electric Fields and Advances Toward Whole-Volume Modeling

We review global gyrokinetic simulation studies on plasma transport in the Large Helical Device using XGC-S. XGC-S is an extended version of X-point Gyrokinetic Code for stellarators and has been progressively verified throughout the code development process. Verification tests of neoclassical transport successfully demonstrate the generation of an ambipolar electric field due to ripple-trapped particles. We perform quasi-linear analyses of the ion temperature gradient mode under the influence of the ambipolar electric field. The results reveal that the ambipolar electric field and the heavy hydrogen component in mixed isotope plasmas can lead to the favorable isotope effect observed in recent deuterium experiments. We also present recent efforts in code development toward whole-volume simulations, including the helical divertor region. A mesh generation scheme based on field-line tracing and the construction of curved surfaces perpendicular to the magnetic field would be promising for global field calculations in the whole-volume simulations.

Basic Plasma Phenomena and Gas Discharges↗

Ecological connectivity and habitat loss shape patterns of genetic diversity in a threatened salamander

Context The maintenance of genetic diversity is essential for preserving adaptive potential in populations, yet it is increasingly threatened by landscape alteration. The field of landscape genetics offers a framework for assessing how patch-level landscape conditions, modeled at multiple scales, influence genetic diversity. Objectives We sought to assess how local environmental features and connectivity influence genetic diversity across 74 four-toed salamander (Hemidactylium scutatum) breeding wetlands in the southeastern United States. Methods Using next-generation sequencing data and hierarchical Bayesian models, we examined genome-wide heterozygosity in relation to local landscape features and ecological connectivity. We also assessed the scale of effect of landscape features and tested for temporal lag effects. Results Genetic diversity was lower in wetlands with higher levels of historic deforestation and lower connectivity. An interaction between deforestation and connectivity indicated that deforestation had stronger negative effects in isolated wetlands but weaker effects in well-connected wetlands. Accounting for scale of effect and temporal lags was critical for detecting these relationships. Conclusions Our analyses highlight the importance of assessing the spatial scale (scale of effect) and temporal lag of landscape features to detect key drivers of genetic diversity. In line with population genetic theory, our results indicate that the genetic consequences of habitat loss do not affect populations uniformly and are most severe in isolated populations where gene flow cannot buffer against loss of diversity. Altogether, we highlight the importance of considering the interaction of habitat loss and connectivity in conservation genetic management.

Hemidactylium scutatum↗

Processing iridium foil targets for the production of radioplatinum isotopes

Dissolving noble metals remains challenging because of their high reduction potentials and tendency to passivate as oxides. This barrier is acute for iridium metal targets used to produce platinum radioisotopes, where post-irradiation processing is costly and hazardous with conventional routes. Here, we report a rapid alkali-fusion method that converts Ir metal directly into chloride media compatible with downstream separations. In the process, an Ir foil is fused with Na 2 O 2 and KCl at temperatures above the KCl melting point; the molten salt enhances heat transfer and facilitates O 2− /Na + transport to the Ir surface, overcoming Ir's oxidation resistance. The fused cake is then cooled and leached in 10 M HCl, yielding Ir in solution without specialized microwave digestion or HF. Pt separation from bulk Ir was evaluated using extraction-chromatography resins. A newly formulated ionic-liquid resin containing Cyphos IL 104 (E104) was compared with two commercial resins (TrisKem TK200 and TK201). All resins achieved >90 % Ir recovery. Pt co-recovery depended on resin chemistry: TK200 recovered 85.9 % Pt, TK201 recovered 54.1 % Pt, and E104 recovered 72.9 % Pt. This study introduces a fast, scalable dissolution route for solid Ir targets and demonstrates resin choices that tune Ir/Pt separation, lowering the barrier to routine production and purification of Pt radioisotopes.

07 ISOTOPE AND RADIATION SOURCES↗

Deformable phrase level attention: A flexible approach for improving AI based medical coding

Objective: Improving the AI-driven automated medical encoding of clinical text plays a vital role in gathering information on the occurrence of diseases to improve population-level health. This work presents a novel attention mechanism designed to enhance text classification models and ensure appropriate classification of medical concepts in unstructured electronic health records. Materials and Methods: We developed a deformable, phrase-level attention mechanism to identify important lexical word-level and contextual phrase-level information from clinical text documents. We evaluated conventional and transformer-based deep learning models that we extended with our attention mechanism on the extraction of critical cancer information (e.g., site, subsite, laterality, histology, behavior) from 629,908 electronic pathology reports and on the automated medical encoding of 52,722 hospital discharge summaries. Results: Transformer-based models with the deformable, phrase-level attention mechanism achieved the best performance on the extraction of critical cancer information from pathology reports. Conventional- and transformer-based models show similar or better performance than their baseline counterparts on the automated medical encoding of clinical documents. Discussion: The addition of phrase-level information allowed models extended with our proposed method to outperform standard word-level attention. Our method showed favorable properties for the real-world application in terms of model robustness and phenotyping. These results indicate that our method is promising for automated data harmonization for common data models. Conclusion: This work proposes a novel deformable, phrase-level attention mechanism that enhances text classification models in the extraction of medical concepts from clinical text documents. We demonstrate strong performances on two clinical text datasets and showcase real-world deployability of our method.

Automated medical encoding↗

Three pairs of fungal Trametes strains isolated from distinct geographic origins show conserved genomic features and adaptive response to plant biomass

The genomes of white-rot fungi hold extended repertoires of enzymes active on virtually all the chemical bonds that intertwine lignocellulose polymers, and several Trametes species have been identified as powerful tools for biorefinery or bioremediation. However, only few studies have addressed the intra-species polymorphism one would expect from fungal strains collected in contrasted environments. We compared the genome sequence of pairs of strains collected in different geographic areas, for each of three fungal species. Using an updated list of the predicted functions for fungal ligno- and cellulolytic enzymes (CAZymes), we observed a high conservation of the gene repertoires among the six strains. We compared the adaptative response of the fungi grown on crystalline cellulose, wheat straw, aspen or pine sawdust by transcriptomics and secretomics. The gene regulation profiles were determined by the species and the substrates, rather than the strain. The secretomes did not show marked differences in the sets of secreted CAZymes after 3 day-growth on the substrates. We identified five transcription factor genes and two sesquiterpenoid synthesis genes induced during growth on lignocellulose. Wider studies using larger sets of strains will be necessary to evaluate the genericity of our findings, and to assess the phenotype diversity one could expect from geographic diversity as compared to taxonomic diversity in Trametes fungi.

Drula, E. [French National Research Institute for ↗

Novel insight into the kinetics of amide bond glycolysis for nylon-6 depolymerization

Chemical recycling of nylon-6 to short-chain oligomers and monomer ε-caprolactam via catalytic glycolysis is a potential solution for plastic waste remediation. Here, in this work, the kinetics of amide bond glycolysis (with ethylene glycol) in nylon-6 and the model compound N-phenethyl-3-phenylpropanamide (M1) were evaluated at 473 K in the presence of the cyclic amidine catalyst 1,5,7-triazabicyclo[4.4.0]dec-5-ene. Rates of polymer glycolysis were determined by the time-dependent shift in molecular weight distribution, whereas rates of M1 glycolysis were determined using liquid chromatography. The similarity of the first-order rate constants for glycolysis of nylon-6 and M1 at 473 K with 0.03 M amidine catalyst (5 mol% relative to amide bonds), 1.22 × 10 −5 s −1 and 2.18 × 10 −5 s −1 , respectively, confirmed the suitability of M1 as a model compound for nylon-6 glycolysis. Similar rates of glycolysis in the presence of other cyclic amidine catalysts as well as sodium methoxide revealed little influence of base strength. Glycolysis rates were unexpectedly non-linear in catalyst loading and deactivation occurred with long reaction times, presumably by non-selective decomposition of products as detected by liquid chromatography.

Depolymerization rate and rate constant↗

Promising performance of sulfide catholytes compared to halide alternatives in NMC811 cathodes for sheet-type sulfide solid-state batteries

Sulfide-based solid-state batteries (SSBs) show promise in achieving energy densities over 350 Wh/kg, yet challenges persist with their incorporation of high-voltage, nickel-rich layered oxide cathodes, such as LiNi₀.₈Mn₀.₁Co₀.₁O₂ (NMC811), due to the poor oxidation stability of sulfide solid-state electrolytes (SSEs) like Li₆PS₅Cl (LPSCl). Although halide SSEs such as Li₃InCl₆ (LIC) and Li₃YCl₆ (LYC) have previously shown promise in stabilizing high-voltage NMC cathodes, our research reveals that sulfide SSE catholytes, particularly when combined with surface-coated NMC cathodes, deliver superior performance. Here, this investigation assesses the cycling stability of various catholytes—LPSCl, LIC, Li₁₀GeP₂S₁₂ (LGPS), combined LIC-LPSCl, and LYC-LPSCl—in SSBs with LiNbO₃-coated NMC811 cathodes against sheet-type LPSCl separators. Findings indicate that while LGPS-based cathodes maintain higher capacity retention, they yield lower deliverable capacity, and LIC cathodes experience significant electrochemical degradation. Importantly, our results underscore that sulfide SSE catholytes, in conjunction with LiNbO₃-coated cathodes, optimize the cathode-electrolyte interphase (CEI), enhancing both kinetics and mass transport. These insights provide a strategic direction for optimizing catholyte composition in the development of sheet-type sulfide-based SSBs.

Catholyte↗

Effects of neutron irradiation on hydrogen isotope permeation on W-Re

Hydrogen and deuterium permeation behavior for neutron damaged W and W-3 %Re was evaluated using a Plasma Driven Permeation device. For neutron damaged W-3 %Re at 773 K and 1473 K, precipitation of Re and Os was observed by atom probe tomography. Neutron irradiation introduced defect damage throughout the sample and enhanced H and D diffusion toward downstream side. The existence of irradiation damage by neutron irradiation was found to increase hydrogen isotope permeation. Moreover, the existence of Re has suppressed the formation of irradiation defects for hydrogen isotope trapping sites. Further, the recovery of irradiation defects by increasing the irradiation temperature led to the structural changes due to the diffusion of Re and Os, which also affected the hydrogen isotope permeation behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ecological connectivity and in-kind mitigation in a regulatory decision framework: A case study with an amphibian habitat specialist

Ecological connectivity is critical to the survival and long-term viability of populations but is often overlooked in regulatory frameworks. We integrated landscape-level processes into a mitigation strategy for impacts to aquatic resources on the U.S. Department of Energy (DOE) Oak Ridge Reservation (ORR) in eastern Tennessee. Wetlands on the ORR, which contain significant breeding populations of the imperiled four-toed salamander (Hemidactylium scutatum) and tubercled rein orchid (Platanthera flava var. herbiola), will be impacted by construction of an environmental waste disposal facility under the Comprehensive Environmental Response, Compensation, and Liability Act of 1980 (CERCLA). Here, we used a modified Kepner-Tregoe decision analysis to select general mitigation options that balanced regulatory requirements and interest group perspectives. We emphasized habitat connectivity through models that prioritized an area's importance to natural area connectivity (centrality) and maintenance of population structure for an affected habitat specialist (four-toed salamanders). We also emphasized in-kind mitigation through the preservation and enhancement of ecologically similar resources and the translocation and establishment of a new subpopulation of four-toed salamanders elsewhere on the ORR. We ultimately released over 500 juvenile salamanders that originated from the impacted site into the chosen mitigation wetlands. By doing so under the constraints of a time-sensitive CERCLA remediation effort and exceeding its substantive requirements, this work underscores feasibility. Ecological connectivity and the conservation of species that are not afforded explicit regulatory processes can be effectively and efficiently integrated into environmental decision-making and land use planning.

54 ENVIRONMENTAL SCIENCES↗

Non-linear elastic-plastic behavior of the invert glass lithium phosphorous oxynitride (LiPON)

Micro and nano-scale mechanical behavior of network/ionic glasses is dictated by their composition and the number of constraints per structural unit. From this perspective, the glass LiPON presents the opportunity for enhancement of the microscale ductility due to its rather unconstrained orthophosphate structure. Here, we use instrumented nanoindentation with different tip geometries to investigate the mechanical response of LiPON glass. The results reveal that the elastic modulus of LiPON is not constant and depends on pressure. With the method utilizing spherical nanoindentation and continuous stiffness measurement (CSM) we determine the yield point of LiPON. We propose the Drucker-Prager type of yield criterion for LiPON and estimate its yield stress in compression as 2.4 GPa. There exists another stress threshold, however, around 490 MPa, at which the elastic deformation becomes non-linear, and this can be mistaken for the yield stress.

Constitutive model↗

Fermi surface origin of the low-temperature magnetoresistance anomaly

Magnetoresistance (MR) at a fixed field can demonstrate a non-monotonic temperature dependence—an anomaly—in many systems, including low-dimensional chalcogenides, spin- and charge-density-wave metals, and topological semimetals. These systems are often low-carrier-density compensated metals, and the physics are expected to be quasi-classical. Nevertheless, the MR anomaly also exists in the highly conductive metals Cr, Mo, and W for both linear and quadratic field dependence, with their non-saturation attributed to either open orbit or electron-hole compensation. We argue that quantum transport across sharp Fermi surface arcs, but not necessarily the full cyclotron orbit, governs this MR anomaly, thereby accounting for the profound effects of disorder. In Cr, an overlay exists between three temperature dependences: MR at a constant high field, linear MR at a low field, and Shubnikov-de Haas (SdH) oscillations of the smallest orbit. In Mo, the MR anomaly extends beyond the temperature of its SdH oscillations but disappears before Kohler’s scaling reemerges.

Feng, Yejun [Okinawa Institute of Science and Tech↗