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At least 235 records · Page 13

The Role of Bedrock Circulation Depth and Porosity in Mountain Streamflow Response to Prolonged Drought

Quantitative understanding is lacking on how the depth of active groundwater circulation in bedrock affects mountain streamflow response to a multi-year drought. We use an integrated hydrological model to explore the sensitivity of a variety of streamflow metrics to bedrock circulation depth and porosity under a plausible extreme drought scenario lasting up to 5 years. Endmember depth versus hydraulic conductivity relationships and porosity values for fractured crystalline rock are simulated. With drought, a deeper circulation system with higher drainable porosity more effectively buffers minimum flow and significantly limits perennial stream loss in comparison to a shallow circulation system. Streamflow buffering is accomplished through extensive groundwater storage loss. However, deeper circulation systems experience prolonged recovery from drought in comparison to storage-limited shallow systems. Research highlights the importance of characterizing the deeper bedrock hydrogeology in mountainous watersheds to better understand and predict drought impacts on stream ecosystem health and water resource sustainability.

54 ENVIRONMENTAL SCIENCES↗

Magnetism in metastable and annealed compositionally complex alloys

Compositionally complex materials (CCMs) present a potential paradigm shift in the design of magnetic materials. These alloys exhibit long-range structural order coupled with limited or no chemical order. As a result, extreme local environments exist with a large variations in the magnetic energy terms, which can manifest large changes in the magnetic behavior. In the current work, the magnetic properties of (Cr, Mn, Fe, Ni) alloys are presented. These materials were prepared by room-temperature combinatorial sputtering, resulting in a range of compositions with a single bcc structural phase and no chemical ordering. The combinatorial growth technique allows CCMs to be prepared outside of their thermodynamically stable phase, enabling the exploration of otherwise inaccessible order. The mixed ferromagnetic and antiferromagnetic interactions in these alloys causes frustrated magnetic behavior, which results in an extremely low coercivity (<1mT), which increases rapidly at 50 K. At low temperatures, the coercivity achieves values of nearly 500 mT, which is comparable to some high-anisotropy magnetic materials. Further, commensurate with the divergent coercivity is an atypical drop in the temperature dependent magnetization. These effects are explained by a mixed magnetic phase model, consisting of ferro-, antiferro-, and frustrated magnetic regions, and are rationalized by simulations. A machine-learning algorithm is employed to visualize the parameter space and inform the development of subsequent compositions. Annealing the samples at 600 °C orders the sample, more-than doubling the Curie temperature and increasing the saturation magnetization by as much as 5×. Simultaneously, the large coercivities are suppressed, resulting in magnetic behavior that is largely temperature independent over a range of 350 K. The ability to transform from a hard magnet to a soft magnet over a narrow temperature range makes these materials promising for heat-assisted recording technologies.

36 MATERIALS SCIENCE↗

Challenging problems of quality assurance and quality control (QA/QC) of meteorological time series data

Abstract Representativeness and quality of collected meteorological data impact accuracy and precision of climate, hydrological, and biogeochemical analyses and predictions. We developed a comprehensive Quality Assurance (QA) and Quality Control (QC) statistical framework, consisting of three major phases: Phase I—Preliminary data exploration, i.e., processing of raw datasets, with the challenging problems of time formatting and combining datasets of different lengths and different time intervals; Phase II—QA of the datasets, including detecting and flagging of duplicates, outliers, and extreme data; and Phase III—the development of time series of a desired frequency, imputation of missing values, visualization and a final statistical summary. The paper includes two use cases based on the time series data collected at the Billy Barr meteorological station (East River Watershed, Colorado), and the Barro Colorado Island (BCI, Panama) meteorological station. The developed statistical framework is suitable for both real-time and post-data-collection QA/QC analysis of meteorological datasets.

54 ENVIRONMENTAL SCIENCES↗

Simulations of Attosecond Metallization in Quartz and Diamond Probed with Inner-Shell Transient Absorption Spectroscopy

When dielectrics are hit with intense infrared (IR) laser pulses, transient metalization can occur. The initial attosecond dynamics behind this metallization are not entirely understood. Therefore, simulations are needed to understand this process and to help interpret experimental observations of it, such as with attosecond transient absorption (ATA). In this paper, we present first-principles simulations of ATA based on bulk-mimicking clusters and real-time time-dependent density functional theory (RT-TDDFT), with Koopmans-tuned range-separated hybrid functionals and Gaussian basis sets. Our method gives good agreement with the experiment for the breakdown threshold in silica and diamond. This breakdown voltage corresponds to a Keldysh parameter of approximately one and thus involves a transition to a regime where the dynamics are driven by tunneling. Pumping at an amplitude just below this value causes a mixture of multiphoton and tunneling excitations across the band gap to occur. The computed extreme ultraviolet and X-ray attosecond transient spectra also agree well with the experiment and show a decrease in optical density due to the transient population of the conduction band from the IR field. First-principles approaches such as this are valuable for interpreting the complicated modulations in a spectrum and for guiding future attosecond experiments on solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

efam: an e xpanded, metaproteome-supported HMM profile database of viral protein fam ilies

Viruses infect, reprogram and kill microbes, leading to profound ecosystem consequences, from elemental cycling in oceans and soils to microbiome-modulated diseases in plants and animals. Although metagenomic datasets are increasingly available, identifying viruses in them is challenging due to poor representation and annotation of viral sequences in databases. Here, we establish efam, an expanded collection of Hidden Markov Model (HMM) profiles that represent viral protein families conservatively identified from the Global Ocean Virome 2.0 dataset. This resulted in 240 311 HMM profiles, each with at least 2 protein sequences, making efam >7-fold larger than the next largest, pan-ecosystem viral HMM profile database. Adjusting the criteria for viral contig confidence from ‘conservative’ to ‘eXtremely Conservative’ resulted in 37 841 HMM profiles in our efam-XC database. To assess the value of this resource, we integrated efam-XC into VirSorter viral discovery software to discover viruses from less-studied, ecologically distinct oxygen minimum zone (OMZ) marine habitats. This expanded database led to an increase in viruses recovered from every tested OMZ virome by ~24% on average (up to ~42%) and especially improved the recovery of often-missed shorter contigs (<5 kb). Additionally, to help elucidate lesser-known viral protein functions, we annotated the profiles using multiple databases from the DRAM pipeline and virion-associated metaproteomic data, which doubled the number of annotations obtainable by standard, single-database annotation approaches. Together, these marine resources (efam and efam-XC) are provided as searchable, compressed HMM databases that will be updated bi-annually to help maximize viral sequence discovery and study from any ecosystem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Radionuclide Transport Simulations Supporting Proposed Borehole Waste Disposal in Israel

A scientific collaboration between the U.S. and Israel is underway to assess the suitability of a potential site for subsurface radioactive waste disposal in the Negev Desert, Israel. The Negev Desert has several favorable attributes for geologic disposal, including an arid climate, a deep vadose zone, interlayered low-permeability lithologies, and carbonate rocks with high uranium-sorption potential. These features may provide a robust natural barrier to radionuclide migration. Geologic and laboratory characterization data from the Negev Desert are incorporated into multiphase flow and transport models, solved using PFLOTRAN, to aid in site characterization and risk analysis that will support decision-making for waste disposal in an intermediate-depth borehole design. The lithology with the greatest uranium sorption potential at the site is phosphorite. We use modeling to evaluate the ability of this layer to impact uranium transport around a proposed disposal borehole. The current objective of the simulations is focused on characterizing hypothetical leakage from waste canisters and subsequent uranium migration under three infiltration scenarios. Here, we describe a hydrogeologic model based on data from a local exploratory borehole and present results for uranium flow and transport simulations under varying infiltration scenarios. We find that under the current climate conditions, it is likely that uranium will remain in the near-field of the borehole for thousands of years. However, under a hypothesized extreme climate scenario representing an increase in infiltration by a factor of 300x above present-day values, uranium may break through the phosphorite layer and exit the base of the model domain (~200 m above the water table) within 1000 years. Simulation results have direct implications for the planning of nuclear waste disposal in the Negev Desert, and specifically in intermediate-depth boreholes.

58 GEOSCIENCES↗

Framework for Quantitative Evaluation of Resilience Solutions: An Approach to Determine the Value of Resilience for a Particular Site

The paper provides the approach to providing a benefit cost analysis of energy and water alternatives to provide resilience to extreme events. The approach estimates the costs and returns of providing greater resilience of water and energy infrastructure. Extreme events are defined as high impact, low-frequency events such as, but not limited to, hurricanes, floods, storm surges and earthquakes. The provides justification for hardening water and energy infrastructure. Resilience is defined as “the ability to prepare for and to withstand an extreme event with little or no damage, or to recover more quickly from an extreme event.” The approach can be summarized as follows. The approach requires the development of a baseline with which to compare alternatives. The baseline is used to evaluate the baseline’s resilience to hazards through the probability of the hazard(s), the likelihood of damage from that the hazard through a vulnerability analysis, and the consequence to calculate a cost of the damage. The approach then evaluates proposed mitigation alternatives that would improve the resilience of the system. Each alternative is evaluated based on probability of the hazard, probability of vulnerability and consequence to determine the reduced damage that each alternative presents. The approach includes any monetary and non-monetary benefits that can quantified for each of the alternatives. Non-quantifiable benefits are evaluated based on the relative importance of each alternative to the criteria used to determine how well the alternative meets the goals and objectives of the site/facility. Then, a life cycle cost analysis should be conducted for the baseline and alternatives. Finally, the results of the life cycle analysis should be presented in a decision matrix with cost, net present value, benefit/cost ratios, and any non-monetary criteria ranked to show how well the alternatives met the criteria, weighted with the decision maker’s weights and the results presented.

54 ENVIRONMENTAL SCIENCES↗

Prediction of Above-Room-Temperature Superconductivity in Lanthanide/Actinide Extreme Superhydrides

Achieving superconductivity at or above room temperature has been a century long held dream for physicists since the discovery of superconductivity in mercury in 1911. Following the recent predictions and ensuing synthesis of clathrate superhydride LaH 10 under pressure exhibiting extraordinary superconducting critical temperatures (T c ) of 250 260 K, we predict via advanced crystal structure search methods a new class of extremely hydrogen rich clathrate superhydrides. These MH 18 (M: rare earth/actinide metal atom) stoichiometric compounds consisting of H36 cage networks are predicted to host T c values above room temperature up to 330 K at pressures of 350 GPa. The bonding and electronic properties of these MH 18 clathrate superhydrides parallel those of atomic metallic hydrogen, giving rise to the highest superconducting temperatures predicted thus far for a thermodynamically stable hydride compound. In depth examination of these extreme superhydrides offers key insights for elucidating and further exploring phonon mediated superconductivity above room temperature in hydrogen rich and other low Z materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Future Intensity‐Duration‐Frequency Curves of Extreme Precipitation in the Midwest United States From Convection‐Permitting Modeling

Abstract During the last four decades, global warming has statistically significant intensified extreme precipitation events in the Midwestern United States (defined here as the region covering Illinois, Indiana, Ohio, and Kentucky), leading to increased risks to human life, property, and infrastructure. To enable climate change adaptation and resilience across various economic and social sectors in this region, updated information about future climate changes, specifically at finer spatial scales, is essential. Leveraging a new 150‐year dynamical downscaling data set at convection‐permitting resolution, this study introduces a framework to construct the projected future intensity‐duration‐frequency (IDF) curves of heavy precipitation, which are prominent tools for infrastructure design and water resources management. This framework generates IDF curves at both sub‐daily and multi‐day duration utilizing hourly in situ observations as well as quantile‐based statistical techniques in bias‐correction and return levels selection. The assumption of non‐stationarity in the distribution parameter fitting process is also implemented in this workflow. Compared to historical IDF curves for 1980–2022, future projected IDF curves for 2058–2100 under Representative Concentration Pathway (RCP) 4.5 and RCP 8.5 scenarios indicate an average intensity increase of approximately 15% and 25%, respectively, across 74 stations, considering both annual and seasonal timescales. Future projections suggest that extreme precipitation events may become more severe across six investigated return periods, with longer return periods showing a greater increase. The frequency of future extreme precipitation events in the Midwest region is also projected to double. Furthermore, current results reveal spatial heterogeneity of future trends across stations owing to the high‐resolution input data set. Plain Language Summary This study investigates the evolving nature of extreme precipitation events in the Midwestern United States under a changing climate. By leveraging a high‐resolution dynamical downscaling data set, we construct projected intensity‐duration‐frequency (IDF) curves for future extreme rainfall events. These curves serve as vital tools for infrastructure planning and water resource management. Our analysis reveals a significant increase in both the intensity and frequency of extreme precipitation events in the region. Future projected IDF curves for the late century indicate an average intensity increase of approximately 15%–25% compared to historical values. Moreover, the frequency of such events is expected to double. Spatial heterogeneity in future trends is observed across different stations within the Midwest, highlighting the importance of high‐resolution modeling in capturing localized climate variability. These findings underscore the urgent need for climate adaptation strategies to mitigate the increasing risks associated with extreme precipitation events in the region. Key Points This study introduces a workflow to construct future intensity‐duration‐frequency (IDF) curves over the Midwest United States using a new convection‐permitting modeling data set The current IDF construction workflow reproduces well the historical observed IDF 30 curves in summer months with median relative errors of 2.4% among 74 stations and 6 investigated durations The projected IDF curves show diverse future trends of extreme precipitation across stations, with intensity increases of approximately 15% and 25% under RCP4.5 and RCP8.5 climate scenarios, respectively, and a doubling of frequency on average

Nguyen, Trung↗

New value of old knowledge: sulphur-based GaAs surface passivation and potential GaAs application in molecular electronics and spintronics

GaAs is well known for its extremely high electron mobility and direct band gap. Owing to the technological advances in silicon-based technology, GaAs has been limited to niche areas. This paper discusses the application of GaAs in molecular electronics and spintronics as a potential field for considering this amazing but challenging material. GaAs is challenging because its surface is characterized by a high density of surface states, which precludes the utilization of this semiconducting material in mainstream devices. Sulfur(S)-based passivation has been found to be significantly useful for reducing the effect of dangling bonds and was researched thoroughly. GaAs applications in molecular spintronics and electronics can benefit significantly from prior knowledge of GaAs and S interactions because S is a popular functional group for bonding molecular device elements with different semiconductors and metals. In this article, the problem associated with the GaAs surface is discussed in a tutorial form. A wide variety of surface passivation methods has been briefly introduced. We attempted to highlight the significant differences in the S-GaAs interactions for different S passivation methods. We also elaborate on the mechanisms and atomic-scale understanding of the variation in surface chemistry and reconstruction due to various S passivation methods. It is envisioned that GaAs and thiol-terminated molecule-based novel devices can exhibit innovative device characteristics and bring the added advantage of S-based passivation.

36 MATERIALS SCIENCE↗

The impact of the charge barrier height on Germanium (Ge) detectors with amorphous-Ge contacts for light dark matter searches

Germanium (Ge) detectors with ability of measuring a single electron–hole (e–h) pair are needed in searching for light dark matter (LDM) down to the MeV scale. We investigate the feasibility of Ge detectors with amorphous-Ge (a-Ge) contacts to achieve the sensitivity of measuring a single e-h pair, which requires extremely low leakage current. Three Ge detectors with a-Ge contacts are used to study the charge barrier height for blocking electrons and holes. Using the measured bulk leakage current and the Döhler–Brodsky model, we obtain the values for charge barrier height and the density of localized energy states near the Fermi energy level for the top and bottom contacts, respectively. We predict that the bulk leakage current is extremely small and can be neglected at helium temperature ( $$\sim $$ ~ 4 K). Thus, Ge detectors with a-Ge contacts possess the potential to measure a single e–h pair for detecting LDM particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Complexity and near extremal charged black branes

Highlights: • Trying to explore a remedy to overcome the puzzle in holographic complexity by assuming a cutoff behind the horizon and the corresponding boundary term. • Holographic complexity growth obtained by the WDW patch on shell action is insensitive to the UV cutoff at the late time. Therefore one may conclude that either on shell action does not compute complexity, or the late time is not given by the physical charges, or in our computations we have missed something! • We find that one needs to carefully compute on shell action taking into account the behind the horizon and the corresponding boundary term. Doing so, one arrives at a consistent picture. • We check this consistency by evaluating the late time complexity growth for near horizon limit of the near extremal black hole using two different methods. We would have obtained non-consistent picture, if we had not considered the behind the horizon cutoff as well as the corresponding boundary term. We compute holographic complexity of charged black brane solutions in arbitrary dimensions for the near horizon limit of near extremal case using two different methods. The corresponding complexity may be obtained either by taking the limit from the complexity of the charged black brane, or by computing the complexity for near horizon limit of near extremal solution. One observes that these results coincide if one assumes to have a cutoff behind horizon whose value is fixed by UV cutoff and also taking into account a proper counterterm evaluated on this cutoff. We also consider the situation for Vaidya charged black branes too.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Anomalously slow hot carrier cooling and insulator-to-metal transition in a photo-doped Mott insulator

Photo-doped Mott insulators can exhibit novel photocarrier transport and relaxation dynamics and non-equilibrium phases. However, time-resolved real-space imaging of these processes are still lacking. Here, we use scanning ultrafast electron microscopy (SUEM) to directly visualize the spatial-temporal evolution of photoexcited species in a spin-orbit assisted Mott insulator α-RuCl 3 . At low optical fluences, we observe extremely long hot photocarrier transport time over one nanosecond, almost an order of magnitude longer than any known values in conventional semiconductors. At higher optical fluences, we observe nonlinear features suggesting a photo-induced insulator-to-metal transition, which is unusual in a large-gap Mott insulator. Our results demonstrate the rich physics in a photo-doped Mott insulator that can be extracted from spatial-temporal imaging and showcase the capability of SUEM to sensitively probe photoexcitations in strongly correlated electron systems.

42 ENGINEERING↗

Measurement of Mass-Independent Perturbations of Cadmium in Nuclear Debris Samples

The isotopic composition of cadmium in nuclear debris was measured by multi-collector inductively coupled plasma-mass spectrometry (MC-ICP-MS). Mass-independent perturbations due to fission product decay on the isotopes of Cd were observed. Relative fission yields for masses 111, 112, 114 and 116 were determined in each sample of nuclear debris and compared with reported values found in irradiated plutonium and uranium fuels. Mass spectrometry measurements of the valley fission product endpoints are extremely challenging due to the low cumulative fission yields and small amounts of each isotope that are produced. To overcome these challenges, a new purification method for Cd was developed and validated by examination of a number of geological reference materials.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Integrating agrivoltaics into smallholder farming systems to enhance food production and irrigation efficiency under climate stress

Smallholder agricultural growers and entrepreneurs (SAGE) have a crucial role in sustaining food security; their cultivation accounts for roughly 30% of global crop production and contributes substantially to the diversity and nutritional value of food systems. Despite their awareness of and flexibility to adapt to productivity challenges, SAGE communities remain highly vulnerable to heat and drought stress, which threatens both livelihoods and local food availability. While intensification and adaptive farm practices offer partial resilience, their capacity to buffer sudden climatic extremes remains limited. Agrivoltaics, the dual use of land for solar electricity generation and crop cultivation, has emerged as a promising strategy to enhance agricultural productivity and its resilience to climate extremes by altering microclimatic conditions. Although proven effective in hot and arid regions, the benefits of agrivoltaics for temperate climates and small-scale farms remain minimally explored. To address this gap, we evaluated the performance of a small-scale agrivoltaics system in a temperate climate for high-value crops, including leafy vegetables and garlic. We investigate whether the system can (i) protect crops during extreme heat events and (ii) enhance productivity and reduce irrigation requirements during hot and dry periods unsuitable for conventional production. Our findings provide evidence that agrivoltaics is a climate-resilient farming strategy under current and projected climate scenarios, capable of improving yields (by +43% to +127% for the leafy vegetables grown) and reducing water consumption, while creating complementary economic opportunities through decentralized energy generation systems. This work supports the integration of agrivoltaics into small-scale agricultural systems as an innovative pathway to strengthen food security, bolster farmer livelihoods, and enable multiple co-benefits from broader solar energy adoption.

14 SOLAR ENERGY↗

Local lattice distortions and dynamics in extremely overdoped superconducting YSr 2 Cu 2.75 Mo 0.25 O 7.54

A common characteristic of many “overdoped” cuprates prepared with high-pressure oxygen is T c values ≥ 50 K that often exceed that of optimally doped parent compounds, despite O stoichiometries that place the materials at the edge or outside of the conventional boundary between superconducting and normal Fermi liquid states. X-ray absorption fine-structure (XAFS) measurements at 52 K on samples of high-pressure oxygen (HPO) YSr 2 Cu 2.75 Mo 0.25 O 7.54 , T c = 84 K show that the Mo is in the (VI) valence in an unusually undistorted octahedral geometry with predominantly Mo neighbors that is consistent with its assigned substitution for Cu in the chain sites of the structure. Perturbations of the Cu environments are minimal, although the Cu X-ray absorption near-edge structure (XANES) differs from that in other cuprates. The primary deviation from the crystal structure is therefore nanophase separation into Mo- and Cu-enriched domains. There are, however, indications that the dynamical attributes of the structure are altered relative to YBa 2 Cu 3 O 7 , including a shift of the Cu-apical O two-site distribution from the chain to the plane Cu sites. Another effect that would influence T c is the possibility of multiple bands at the Fermi surface caused by the presence of the second phase and the lowering of the Fermi level.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hybrid interatomic potential for Sn

To design materials for extreme applications, it is important to understand and predict phase transitions and their influence on material properties under high pressures and temperatures. Atomistic modeling can be a useful tool to assess these behaviors. However, this can be difficult due to the lack of fidelity of the interatomic potentials in reproducing this high pressure and temperature extreme behavior. Here, in this work, a hybrid EAM-R—which is the combination of embedded atom method (EAM) and rapid artificial neural network potential—for Tin (Sn) is described which is capable of accurately modeling the complex sequence of phase transitions between different metallic polymorphs as a function of pressure. This hybrid approach ensures that a basic empirical potential like EAM is used as a lower energy bound. By using the final activation function, the neural network contribution to energy must be positive, assuring stability over the whole configuration space. This implementation has the capacity to reproduce density functional theory results at 6 orders of magnitude slower than a pair potential for molecular dynamics simulation, including elastic and plastic characteristics and relative energies of each phase. Using calculations of the Gibbs free energy, it is demonstrated that the potential precisely predicts the experimentally observed phase changes at temperatures and pressures across the whole phase diagram. At 10.2 GPa, the present potential predicts a first-order phase transition between body-centered tetragonal (BCT) β-Sn and another polymorph of BCT-Sn. This structure transforms into body-centered cubic near the experimentally reported value at 33 GPa. Thus, the Sn potential developed in this paper can be used to study complex deformation mechanisms under extreme conditions of high pressure and strain rates unlike existing potentials. Moreover, the framework developed in this paper can be extended for different material systems with complex phase diagrams.

36 MATERIALS SCIENCE↗

Hydrous Nickel–Iron Turnbull’s Blue as a High-Rate and Low-Temperature Proton Electrode

Proton batteries are emerging as a promising solution for energy storage; however, their development has been hindered by the lack of suitable cathode materials. Herein, a hydrous Turnbull’s blue analogue (TBA) of Ni[Fe(CN) 6 ] 2/3 ·4H 2 O has been investigated as a viable proton cathode. Particularly, it shows an extremely high rate performance up to 6000 C (390 A g –1 ) at room temperature and delivers good capacity values at a low temperature of -40 °C in an aqueous electrolyte. The excellent rate capability is also amenable to high mass loadings of 10 mg cm –2 . Such fast and low-temperature rate behavior likely stems from the fast proton conduction that is afforded by the Grotthuss mechanism inside the TBA structure. Furthermore, advanced characterization, including in operando synchrotron X-ray diffraction (XRD), and X-ray absorption near-edge structure (XANES) were employed to understand the changes of crystal structures and the oxidation-states of metal elements of the electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗