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At least 595 records · Page 33

Tuning the Magnetic Properties of CrI 3 Using Ni Thin Film Deposition for Applications in Spintronic Devices

Chromium triiodide (CrI 3 ), a van der Waals magnet, has recently been shown to host Ising ferromagnetism down to the monolayer limit. It is a potentially important material in 2D magnet-based applications, such as magnetic sensors and spintronic devices. Prior studies have revealed the coexistence of two different types of interlayer magnetic coupling, the antiferromagnetic (AFM) coupling near the surface and ferromagnetic (FM) coupling in the deep bulk layers, in pristine CrI 3 crystals below the Curie temperature. In this study, we used Ni thin film deposition to tune the surface magnetic states in bulk CrI 3 . A nanometer thickness (4 nm thick) of Ni was deposited on the surface of CrI 3 using electron-beam evaporation to form a Ni/CrI 3 heterostructure. The deposited Ni thin layer forms nanoclusters that completely cover the CrI 3 surface. Magnetic states of CrI 3 before and after Ni deposition are probed by ultralow-frequency magneto-Raman spectroscopy. Instead of seeing three spin wave branches in Raman scattering below 2 T, as in pristine bulk CrI 3 , in Ni/CrI 3 , we observe only a single spin wave branch, which is softened compared to that in pristine CrI 3 and displays a Zeeman shift under an out-of-plane magnetic field up to 7 T. This observation reveals that the AFM layers on pristine CrI 3 crystal surfaces transit into FM layers, so the entire CrI 3 crystal is in the FM state after Ni deposition. First-principles calculations show that Ni atoms tend to diffuse into the CrI 3 lattice, and the FM interlayer coupling has a much lower energy than AFM coupling in the presence of Ni atoms. As a result, our studies show that the magnetic state of CrI 3 can be modified through deposition of a thin metal layer on the surface, offering a route for controlling the spin degree of freedom in van der Waals magnets.

36 MATERIALS SCIENCE↗

Distributed Fiber Optic Sensing to Identify Locations of Resistive Transitions in REBCO Conductors and Magnets

High-temperature superconductors such as REBa 2 Cu 3 O 7-x (REBCO, RE = rare earth) can generate strong magnetic fields that are promising for applications in particle accelerators and compact fusion reactors. Traditionally, voltage taps are installed in superconducting magnets to measure the voltage signals due to resistive transitions. The voltage-tap-based diagnostics is important for the development of magnet technology as it can help pinpoint the locations in the magnet windings that limit the magnet performance. The architecture of the multi-tape REBCO cable such as CORC wires, however, makes it difficult to apply the voltage-tap-based diagnostics to identify the locations of resistive transitions. Distributed fiber optic sensing (DFOS) has the potential to address this issue. In this paper, we report the measurements of thermal strain along a CORC wire based on optical frequency domain reflectometry with a maximum spatial resolution of 0.65 mm and a temporal resolution of 10 Hz. The optical fiber is co-wound with the CORC wire that is epoxy impregnated. During the test, current was increased until a resistive transition occurred in the conductor. The spectrum shift of the reflected light along the fiber was recorded. The results suggested that with proper thermal isolation from the cryogen, DFOS can be used to identify the locations of resistive transitions in CORC wires and magnets. In conclusion, the results will allow a better understanding of the causes of resistive transitions in REBCO conductors and magnets, which will help improve the REBCO magnet technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Phase-space dynamics of Alfvén mode chirping

In tokamak discharges, toroidal Alfvén eigenmodes often experience complex semi-periodic frequency modulation known as chirping. These events modify the local high energy particle distribution and are expected to occur in many future fusion devices, which include energetic beams or fusion products. In this paper, we present a study of simulations of mode chirping made in order to better understand its phase-space properties in a realistic tokamak configuration. We find a mechanism that permits rapid repeated chirping with strong amplitude variation in each chirp. Each chirp is then associated with an amplitude crash to low magnitude and local manipulation of the density gradients through a shift of mode phase through π. The chirping produces high density clumps, which propagate down the fast ion density gradient and low density holes that propagate up the density gradient away from the resonance. This flow of particles across the resonance provides an energy source and local gradients for repeated chirping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Contribution of El Niño Southern Oscillation (ENSO) Diversity to Low‐Frequency Changes in ENSO Variance

Abstract El Niño Southern Oscillation (ENSO) diversity is characterized based on the longitudinal location of maximum sea surface temperature anomalies (SSTA) and amplitude in the tropical Pacific, as Central Pacific events are typically weaker than Eastern Pacific events. SSTA pattern and intensity undergo low‐frequency modulations, affecting ENSO prediction skill and remote impacts, and resulting in low‐frequency changes in ENSO variance. Yet, how different ENSO types contribute to these decadal variance changes remains unclear. Here, we decompose the low‐frequency changes of ENSO variance into contributions from ENSO diversity categories. We propose a fuzzy clustering of monthly SSTA to allow for non‐binary event category memberships, where each event can belong to different clusters. Our approach identifies two La Niña and three El Niño categories and shows that the major shift of ENSO variance in the mid‐1970s was associated with an increasing likelihood of strong La Niña and extreme El Niño events.

Geology↗

Incommensurate and commensurate antiferromagnetic states in Ca Mn 2 As 2 and Sr Mn 2 As 2 revealed by As 75 NMR

Here, we carried out 75 As nuclear magnetic resonance (NMR) measurements on the trigonal CaMn 2 As 2 and SrMn 2 As 2 insulators exhibiting antiferromagnetic (AFM) ordered states below Néel temperatures T N = 62 and 120 K, respectively. In the paramagnetic state above T N , typical quadrupolar-split 75 As NMR spectra were observed for both systems. The 75 As quadrupolar frequency ν Q for CaMn 2 As 2 decreases with decreasing temperature, while ν Q for SrMn 2 As 2 increases, showing an opposite temperature dependence. In the AFM state, the relatively sharp and distinct 75 As NMR lines were observed in SrMn 2 As 2 and the NMR spectra were shifted to lower fields for both magnetic fields H ∥ c axis and H ∥ a b plane, suggesting that the internal fields B int at the As site produced by the Mn ordered moments are nearly perpendicular to the external magnetic field direction. No obvious distribution of B int was observed in SrMn 2 As 2 , which clearly indicates a commensurate AFM state. In sharp contrast to SrMn 2 As 2 , broad and complex NMR spectra were observed in CaMn 2 As 2 in the AFM state, which clearly shows a distribution of B int at the As site, indicating an incommensurate state. From the analysis of the characteristic shape of the observed spectra, the AFM state of CaMn 2 As 2 was determined to be a two-dimensional incommensurate state where Mn ordered moments are aligned in the ab plane. A possible origin for the different AFM states in the systems was discussed. Both CaMn 2 As 2 and SrMn 2 As 2 show very large anisotropy in the nuclear spin-lattice relaxation rate 1/T 1 in the paramagnetic state. 1/T 1 for H ∥ ab is much larger than that for H ∥ c, indicating strong anisotropic AFM spin fluctuations in both compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ions Tune Interfacial Water Structure and Modulate Hydrophobic Interactions at Silica Surfaces

The structure and ultrafast dynamics of the electric double layer (EDL) are central to chemical reactivity and physical properties at solid/aqueous interfaces. While the Gouy–Chapman–Stern model is widely used to describe EDLs, it is solely based on the macroscopic electrostatic attraction of electrolytes for the charged surfaces. Structure and dynamics in the Stern layer are, however, more complex because of competing effects due to the localized surface charge distribution, surface–solvent–ion correlations, and the interfacial hydrogen bonding environment. Here, we report combined time-resolved vibrational sum frequency generation (TR-vSFG) spectroscopy with ab initio DFT-based molecular dynamics simulations (AIMD/DFT-MD) to get direct access to the molecular-level understanding of how ions change the structure and dynamics of the EDL. We show that innersphere adsorbed ions tune the hydrophobicity of the silica–aqueous interface by shifting the structural makeup in the Stern layer from dominant water–surface interactions to water–water interactions. This drives an initially inhomogeneous interfacial water coordination landscape observed at the neat interface toward a homogeneous, highly interconnected in-plane 2D hydrogen bonding (2D-HB) network at the ionic interface, reminiscent of the canonical, hydrophobic air–water interface. This ion-induced transformation results in a characteristic decrease of the vibrational lifetime (T 1 ) of excited interfacial O–H stretching modes from T 1 ~ 600 fs to T 1 ~ 250 fs. Hence, we propose that the T 1 determined by TR-vSFG in combination with DFT-MD simulations can be widely used for a quantitative spectroscopic probe of the ion kosmotropic/chaotropic effect at aqueous interfaces as well as of the ion-induced surface hydrophobicity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low-energy moiré phonons in twisted bilayer van der Waals heterostructures

We develop a low-energy continuum model for phonons in twisted moiré bilayers, based on a configuration-space approach. In this approach, interatomic force constants are obtained from density functional theory (DFT) calculations of untwisted bilayers with various in-plane shifts. This allows for efficient computation of phonon properties for any small twist angle, while maintaining DFT-level accuracy. Based on this framework, we show how the low-energy phonon modes, including interlayer shearing and layer-breathing modes, vary with the twist angle. As the twist angle decreases, the frequencies of the low-energy modes are reordered and the atomic displacement fields corresponding to phonon eigenmodes break translational symmetry, developing periodicity on the moiré length scale. Here, we demonstrate the capabilities of our model by calculating the phonon properties of three specific structures: bilayer graphene, bilayer molybdenum disulfide (MoS 2 ), and molybdenum diselenide-tungsten diselenide (MoSe 2 -WSe 2 ).

2-dimensional systems↗

Mid-wave to near-IR optoelectronic properties and epsilon-near-zero behavior in indium-doped cadmium oxide

Indium-doped cadmium oxide (In:CdO) thin films exhibit tunable epsilon-near-zero (ENZ) modal frequencies across a wide spectral range, bridging the mid-wave and near-infrared (IR). In:CdO thin films are prepared by reactive cosputtering from metallic Cd and In targets using high-power impulse magnetron sputtering (HiPIMS) and radio frequency sputtering, respectively. Using this approach, CdO thin films with carrier concentrations ranging from 2.3 × 10 19 to 4.0 × 10 20 cm –3 and mobilities ranging from 300 to 400 cm 2 /Vs are readily achieved. UV-VIS absorption spectra are used to measure optical bandgap, revealing a Burstein-Moss shift of 0.58 eV across the doping range investigated. In this work, optical measurements demonstrate the tunability of near-perfect plasmonic ENZ absorption across the mid-wave and into the near-IR spectral ranges by controlling the carrier concentration through doping, while tuning the film thickness for impedance matching. In comparison to other dopants that can be introduced to HiPIMS-deposited CdO, In offers the largest range of carrier concentrations while maintaining high mobility, thus allowing for the widest accessibility of the IR spectrum of a single plasmonic material grown by sputtering.

36 MATERIALS SCIENCE↗

A National Infrastructure for Artificial Intelligence on the Grid (NI4AI) (Final Scientific/Technical Report)

Electric utilities have traditionally taken a very pragmatic yet myopic approach with grid sensors and the resulting collected data. Sensors are purchased and deployed to solve a specific, known problem that has risen to sufficient awareness as to justify the effort of deploying sensors and the needed capital investment. This sensor data flows into proprietary software packages with limited functionality intended only to address the initial problem. This approach aligns with the financial incentives of the utility to deploy capital into fixed hardware assets for which the corporations earn a rate of return. This mentality stands in stark contrast to the big data revolution that started nearly 25 years ago with the rise of Google. In this worldview, data is a fundamental business asset; successful organizations collect, store, explore, merge, and exploit as much data as possible to not only solve problems well understood today but also to tackle new problems that will inevitably rise tomorrow. The ARPA-E Open Innovation 2018 project entitled A National Infrastructure for Artificial Intelligence on the Grid or NI4AI for short was designed to demonstrate this alternative paradigm for using data. To do this, the project was composed of three key thrust areas. The first major component deployed a variety of high-frequency grid sensors and captured terabytes of both wide-scale and localized grid measurements, generating high-value datasets for grid research and algorithm development. The second aspect made available PingThings’ PredictiveGridTM, a horizontally scalable, cloud-based data management and AI platform built for time series data to explore and exploit the collected data. Finally, the project fostered a diverse and open research community composed of experts from numerous fields through focused educational content, code sharing, and data science competitions. Shifting away from “single use” sensors and closed data silos within electric utilities is a major benefit to the public at large. This legacy approach to data is incredibly (1) capital intensive (new sensors must be deployed for each new problem and problems tend to arise continuously) and (2) painfully slow (new problems must be identified first and then new sensors must be deployed to collect data to begin to address the issue). The transition to a carbon neutral grid requires a massive transformation of the existing grid infrastructure and will continue to challenge the legacy grid in unforeseen ways. The only way to make the energy transition cost effective is for utilities to abandon this dated data paradigm and adopt more contemporary approaches. NI4AI has shown that it is technically possible and economically feasible to ingest, explore, and exploit grid data collected from even very high frequency sensing, such as continuous point on wave sensors collecting measurements 10,000 times a second. In fact, the PredictiveGrid platform used is commercially available and deployed at several utilities in the United States. Project accomplishments were numerous and included (1) making available a state of the art time series platform to the community, (2) collecting over 520 streams of time series data from grid sensors totaling over 1 trillion grid measurements, and (3) developing and nurturing a community within the industry focused on the use of data to create value for utilities and, ultimately, end consumers.

97 MATHEMATICS AND COMPUTING↗

Atmospheric river representation in the Energy Exascale Earth System Model (E3SM) version 1.0

Abstract. The Energy Exascale Earth System Model (E3SM) project is an ongoing, state-of-the-science Earth system modeling, simulation, and prediction project developed by the US Department of Energy (DOE). With an emphasis on supporting the DOE's energy mission, understanding and quantifying how well the model simulates water cycle processes is of particular importance. Here, we evaluate E3SM version 1.0 (v1.0) for its ability to represent atmospheric rivers (ARs), which play significant roles in water vapor transport and precipitation. The characteristics and precipitation associated with global ARs in E3SM at standard resolution (1∘ × 1∘) are compared to the Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA2). Global patterns of AR frequencies in E3SM show high degrees of correlation (≥0.97) with MERRA2 and low mean absolute errors (MAEs; <1 %) annually, seasonally, and across different ensemble members. However, some large-scale condition biases exist, leading to AR biases – most significant of which are the double intertropical convergence zone (ITCZ), a stronger and/or equatorward-shifted subtropical jet during boreal and austral winters, and enhanced Northern Hemisphere westerlies during summer. By comparing atmosphere-only and fully coupled simulations, we attribute the sources of the biases to the atmospheric component or to a coupling response. Using relationships revealed in Dong et al. (2021), we provide evidence showing the stronger North Pacific jet in winter and the enhanced Northern Hemisphere westerlies during summer, associated with E3SM's double ITCZ and related weaker Atlantic meridional overturning circulation (AMOC), respectively, which are significant sources of the AR biases found in the coupled simulations.

58 GEOSCIENCES↗

Design Optimization of Medium-Frequency Transformer for DAB Converters With DC Bias Capacity

Medium-frequency transformer (MFT) dc bias is critical for the safe operation of dual-active-bridge (DAB) converters. To analyze the dc bias, expressions of dc bias are derived for SiC MOSFET DAB converters. It shows that the dc bias is a current source in steady state; thus, a dc bias current capacity is defined and used as a design constraint in the optimization of MFT. The dc bias current capacity is related to core materials, geometric parameters, and flux density, which is analyzed with analytical expression. Optimization equations with geometric variables are derived, which can be solved theoretically or numerically for both interleaved winding (IW) and separated winding (SW) MFT without and/or with leakage inductance design. Based on the optimization equations, different MFT designs for a 150-kW SiC MOSFET DAB converter are compared on the aspects of core materials, winding structures, and without/with leakage inductance design. The combination of IW structure MFT with auxiliary phase shift inductors is chosen, and the assembled prototype is tested with the 150-kW DAB converter. Here, the designed dc bias capacity, temperature rise, and efficiency are verified.

42 ENGINEERING↗

Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals

Stacking two-dimensional (2D) van der Waals (vdW) materials in a layered bulk structure provides an appealing platform for the emergence of exotic physical properties. As a vdW crystal with exceptional plasticity, InSe offers the opportunity to explore various effects arising from the coupling of its peculiar mechanical behaviors and other physical properties. Here, we employ neutron scattering techniques to investigate the correlations of plastic interlayer slip, lattice anharmonicity, and thermal transport in InSe crystals. Not only are the interlayer slip direction and magnitude well captured by shifts in the Bragg reflections, but we also observe a deviation from the expected Debye behaviour in the heat capacity and lattice thermal conductivity. Combining the experimental data with first-principles calculations, we tentatively attribute the observed evidence of strong phonon-phonon interactions to a combination of a large acoustic-optical frequency resonance and a nesting effect. These findings correlate the macroscopic plastic slip and the microscopic lattice dynamics, providing insights into the mechano-thermo coupling and modulation in 2D vdW materials.

36 MATERIALS SCIENCE↗

Evolving language of pediatric anxiety in electronic health records

Objectives This study aimed to identify and quantify semantic drift (ie, the change in semantic meaning over time) within expert-defined anxiety-related (AR) terminology and compare it to common electronic health record (EHR) vocabulary across longitudinal pediatric clinical notes. Materials and Methods A corpus of pediatric clinical notes from 2009 to 2022 was analyzed using computational methods. Semantic drift for each term was quantified using cosine similarity between annual temporal word embeddings. Contextual meaning was examined through changes in nearest neighbors across years. The Laws of Semantic Change were applied to assess the influence of word frequency and polysemy. Vocabulary terms were categorized as AR or common EHR. Results 98% of AR terminology maintained a cosine similarity between 0.00 and 0.50, indicating moderate semantic stability, whereas 90% of common EHR terms remained between 0.00 and 0.25, showing greater contextual stability overall. Frequent terms exhibited minimal change (Frequency Coefficient = 0.04), whereas highly polysemous or abbreviated terms showed less stability (Polysemy Coefficient = 0.630). AR terminology drifted more slowly than general EHR vocabulary (Type Coefficient = −0.179), further supported by significant year–type interactions (Coef = −0.09 to −0.523). Discussion Although anxiety-related terminology demonstrates slower semantic drift than general EHR vocabulary, subtle contextual shifts still occur that may affect downstream interpretability and retrieval in automated systems. Conclusion Continuous linguistic monitoring and adaptive modeling are essential to maintain semantic fidelity and ensure the long-term reliability of clinical decision support systems as healthcare documentation evolves.

Pediatric anxiety disorders↗

Characterization of Digital Silicon Photomultipliers

Digital Silicon photomultipliers (Digital SiPMs) have become an increasingly viable option for single-photon detection due to their compact size and precise timing and resolution. The following work characterizes the noise performance of a diSiPM designed and tested in-house at Fermilab. The SiPM consists of a 26x32 array of single-photon avalanche diode (SPAD) cells. Through the implementation of a shift register masking circuit, individual SPAD cells can be enabled and disabled at will, allowing for precise detection measurements of single columns (accumulator channels) and cells. The provided circuit design operates on voltage clock pulses and collects data on clock edges allowing for precise tuning of the data collection process by varying the clock frequency, pulse width, and integration period.

Shoemaker, Oliver [U. Chicago (main)]↗

The electronic Raman scattering spectrum of PuO 2

Here the Raman spectrum of PuO 2 was measured up to 13,000 cm –1 with three different laser excitation wavelengths spanning the resonance (405 nm), near-resonance (457 nm), and preresonance (514 nm) energy range. Approximately 26 never-before-seen bands were observed between 3500 and 13,000 cm –1 . Given the very high energy of the Raman shifts of these bands and the relative insensitivity of their spectral position to the interrogating laser wavelength, they are believed to arise from an electronic origin. These bands are present in both freshly calcined and radiolytically aged PuO 2 , although a broad luminescence is observed in the aged material, which obscures many of the high frequency features. In situ laser annealing of the material attenuated this luminescence and allowed for clear observation of these never-before-seen spectral features. Discovery of these high-energy bands presents a new way of identifying PuO 2 for nuclear nonproliferation and forensics purposes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Response of soil nutrient pools and microbiomes to recurrent wildfire disturbance and varying burn severities in a mixed conifer forest

Wildfire is a pervasive disturbance in mixed-conifer forests, yet the relative influence of fire recurrence versus burn severity on soil biogeochemistry and microbial communities remains poorly quantified. We examined a natural gradient of fire history (0–3 prior fires) and burn severity (low–high) spanning 50 yr in a mixed-conifer ecosystem to assess how repeated fire shapes soil carbon (C) and nitrogen (N) pools, their isotopic signatures, mineral and particulate fractions, microbial community composition, carbon-use, CO₂ fluxes, and vegetation cover. Successive fires produced progressively higher bare-ground percentages and lower tree cover, which were tightly linked to declines in microbial diversity and reductions bulk %C, and %N. δ 13 C increased with fire frequency, indicating preferential loss of labile C through combustion or enhanced microbial oxidation, thereby explaining the observed net soil-C decline. Conversely, δ 15 N decreased and pH increased as tree density declined, reflecting altered N cycling and reduced acidification in post-fire soils. Fire recurrence, more than severity, corresponded with a marked shift in the bacterial community: for example, Xanthobacteraceae—key N-fixers and C-cyclers—diminished, while N-fixing Bacillaceae increased, underscoring the tightly coupled nature of soil nutrient dynamics and microbiome composition after repeated burns. Our results demonstrate that fire recurrence appears to be a stronger driver of post-fire soil ecosystem responses in this mixed-conifer forest, influencing both abiotic nutrient pools and the functional potential of the soil microbiome. These findings provide a more enhanced assessment and understanding to date of the biogeochemical consequences of repeated wildfire disturbance that can be used to inform management strategies aimed at preserving soil health in fire-prone landscapes.

54 ENVIRONMENTAL SCIENCES↗

Metal–Ligand Cooperativity via Exchange Coupling Promotes Iron- Catalyzed Electrochemical CO 2 Reduction at Low Overpotentials

Biological and heterogeneous catalysts for the electrochemical CO 2 reduction reaction (CO 2 RR) often exhibit a high degree of electronic delocalization that serves to minimize overpotential and maximize selectivity over the hydrogen evolution reaction (HER). Here, we report a molecular iron(II) system that captures this design concept in a homogeneous setting through the use of a redox non-innocent terpyridine-based pentapyridine ligand (tpyPY2Me). As a result of strong metal-ligand exchange coupling between the Fe(II) center and ligand, [Fe(tpyPY2Me)] 2+ exhibits redox behavior at potentials 640 mV more positive than the isostructural [Zn(tpyPY2Me)] 2+ analog containing the redox-inactive Zn(II) ion. This shift in redox potential is attributed to the requirement for both an open-shell metal ion and a redox non-innocent ligand. The metal-ligand cooperativity in [Fe(tpyPY2Me)] 2+ drives the electrochemical reduction of CO 2 to CO at low overpotentials with high selectivity for CO 2 RR (>90%) and turnover frequencies of 100,000 s -1 with no degradation over 20 h. The decrease in the thermodynamic barrier engendered by this coupling also enables homogeneous CO 2 reduction catalysis in water without compromising selectivity or rates. Synthesis of the two-electron reduction product, [Fe(tpyPY2Me)] o , and characterization by X-ray crystallography, Mössbauer spectroscopy, X-ray absorption spectroscopy (XAS), variable temperature NMR, and density functional theory (DFT) calculations, support assignment of an open-shell singlet electronic structure that maintains a formal Fe(II) oxidation state with a doubly reduced ligand system. Furthermore, this work provides a starting point for the design of systems that exploit metal-ligand cooperativity for electrocatalysis where the electrochemical potential of redox non-innocent ligands can be tuned through secondary metal-dependent interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗