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At least 1,279 records · Page 71

Atmospheric carbonyl sulfide sources from anthropogenic activity: Implications for carbon cycle constraints

Carbonyl sulfide (COS) has recently emerged as an atmospheric tracer of gross primary production. All modeling studies of COS air-monitoring data rely on a climatological anthropogenic inventory that does not reflect present conditions or support interpretation of ice core and firn trends. Here we develop a global anthropogenic inventory for the years 1850 to 2013 based on new emission measurements and material-specific data. By applying methods from a recent regional inventory to global data, we find that the anthropogenic source is similar in magnitude to the plant sink, confounding carbon cycle applications. However, a material-specific approach results in a current anthropogenic source that is only one-third of plant uptake and is concentrated in Asia, supporting carbon cycle applications of global air-monitoring data. Furthermore, the source alone cannot explain the century-scale mixing ratio growth, which suggests that ice and firn data may provide the first global history of gross primary production.

Campbell, Elliott↗

Precise relative locations for earthquakes in the northeast Pacific region

We report that double-difference methods applied to cross-correlation measured Rayleigh wave time shifts are an effective tool to improve epicentroid locations and relative origin time shifts in remote regions. We apply these methods to seismicity offshore of southwestern Canada and the U.S. Pacific Northwest, occurring along the boundaries of the Pacific and Juan de Fuca (including the Explorer Plate and Gorda Block) Plates. The Blanco, Mendocino, Revere-Dellwood, Nootka, and Sovanco fracture zones host the majority of this seismicity, largely consisting of strike-slip earthquakes. The Explorer, Juan de Fuca, and Gorda spreading ridges join these fracture zones and host normal faulting earthquakes. Our results show that at least the moderate-magnitude activity clusters along fault strike, supporting suggestions of large variations in seismic coupling along oceanic transform faults. Our improved relative locations corroborate earlier interpretations of the internal deformation in the Explorer and Gorda Plates. North of the Explorer Plate, improved locations support models that propose northern extension of the Revere-Dellwood fault. Relocations also support interpretations that favor multiple parallel active faults along the Blanco Transform Fault Zone. Seismicity of the western half of the Blanco appears more scattered and less collinear than the eastern half, possibly related to fault maturity. We use azimuthal variations in the Rayleigh wave cross-correlation amplitude to detect and model rupture directivity for a moderate size earthquake along the eastern Blanco Fault. Lastly, the observations constrain the seismogenic zone geometry and suggest a relatively narrow seismogenic zone width of 2 to 4 km.

58 GEOSCIENCES↗

Upper mantle structure of central and West Antarctica from array analysis of Rayleigh wave phase velocities

Abstract The seismic velocity structure of Antarctica is important, both as a constraint on the tectonic history of the continent and for understanding solid Earth interactions with the ice sheet. We use Rayleigh wave array analysis methods applied to teleseismic data from recent temporary broadband seismograph deployments to image the upper mantle structure of central and West Antarctica. Phase velocity maps are determined using a two–plane wave tomography method and are inverted for shear velocity using a Monte Carlo approach to estimate three‐dimensional velocity structure. Results illuminate the structural dichotomy between the East Antarctic Craton and West Antarctica, with West Antarctica showing thinner crust and slower upper mantle velocity. West Antarctica is characterized by a 70–100 km thick lithosphere, underlain by a low‐velocity zone to depths of at least 200 km. The slowest anomalies are beneath Ross Island and the Marie Byrd Land dome and are interpreted as upper mantle thermal anomalies possibly due to mantle plumes. The central Transantarctic Mountains are marked by an uppermost mantle slow‐velocity anomaly, suggesting that the topography is thermally supported. The presence of thin, higher‐velocity lithosphere to depths of about 70 km beneath the West Antarctic Rift System limits estimates of the regionally averaged heat flow to less than 90 mW/m 2 . The Ellsworth‐Whitmore block is underlain by mantle with velocities that are intermediate between those of the West Antarctic Rift System and the East Antarctic Craton. We interpret this province as Precambrian continental lithosphere that has been altered by Phanerozoic tectonic and magmatic activity.

Heeszel, David S.↗

Reflection imaging of the Moon's interior using deep-moonquake seismic interferometry

The internal structure of the Moon has been investigated over many years using a variety of seismic methods, such as travel time analysis, receiver functions, and tomography. Here we propose to apply body-wave seismic interferometry to deep moonquakes in order to retrieve zero-offset reflection responses (and thus images) beneath the Apollo stations on the nearside of the Moon from virtual sources colocated with the stations. This method is called deep-moonquake seismic interferometry (DMSI). Our results show a laterally coherent acoustic boundary around 50 km depth beneath all four Apollo stations. We interpret this boundary as the lunar seismic Moho. This depth agrees with Japan Aerospace Exploration Agency's (JAXA) SELenological and Engineering Explorer (SELENE) result and previous travel time analysis at the Apollo 12/14 sites. The deeper part of the image we obtain from DMSI shows laterally incoherent structures. Finally, such lateral inhomogeneity we interpret as representing a zone characterized by strong scattering and constant apparent seismic velocity at our resolution scale (0.2–2.0 Hz).

58 GEOSCIENCES↗

Persistence and memory timescales in root‐zone soil moisture dynamics

Abstract The memory timescale that characterizes root‐zone soil moisture remains the dominant measure in seasonal forecasts of land‐climate interactions. This memory is a quasi‐deterministic timescale associated with the losses (e.g., evapotranspiration) from the soil column and is often interpreted as persistence in soil moisture states. Persistence, however, represents a distribution of time periods where soil moisture resides above or below some prescribed threshold and is therefore inherently probabilistic. Using multiple soil moisture data sets collected at high resolution (subhourly) across different biomes and climates, this paper explores the differences, underlying dynamics, and relative importance of memory and persistence timescales in root‐zone soil moisture. A first‐order Markov process, commonly used to interpret soil moisture fluctuations derived from climate simulations, is also used as a reference model. Persistence durations of soil moisture below the plant water‐stress level (chosen as the threshold), and the temporal spectrum of upcrossings and downcrossings of this threshold, are compared to the memory timescale and spectrum of the full time series, respectively. The results indicate that despite the differences between meteorological drivers, the spectrum of threshold‐crossings is similar across sites, and follows a unique relation with that of the full soil moisture series. The distribution of persistence times exhibits an approximate stretched exponential type and reflects a likelihood of exceeding the memory at all sites. However, the rainfall counterpart of these distributions shows that persistence of dry atmospheric periods is less likely at sites with long soil moisture memory. The cluster exponent, a measure of the density of threshold‐crossings in a time frame, reveals that the clustering tendency in rainfall events (on‐off switches) does not translate directly to clustering in soil moisture. This is particularly the case in climates where rainfall and evapotranspiration are out of phase, resulting in less ordered (more independent) persistence in soil moisture than in rainfall.

Ghannam, Khaled↗

Subsea ice-bearing permafrost on the U.S. Beaufort Margin: 1. Minimum seaward extent defined from multichannel seismic reflection data: SUBSEA PERMAFROST ON THE U.S. BEAUFORT I

Subsea ice-bearing permafrost (IBPF) and associated gas hydrate in the Arctic have been subject to a warming climate and saline intrusion since the last transgression at the end of the Pleistocene. The consequent degradation of IBPF is potentially associated with significant degassing of dissociating gas hydrate deposits. Previous studies interpreted the distribution of subsea permafrost on the U.S. Beaufort continental shelf based on geographically sparse data sets and modeling of expected thermal history. The most cited work projects subsea permafrost to the shelf edge (~100 m isobath). This study uses a compilation of stacking velocity analyses from ~100,000 line-km of industry-collected multichannel seismic reflection data acquired over 57,000 km 2 of the U.S. Beaufort shelf to delineate continuous subsea IBPF. Gridded average velocities of the uppermost 750 ms two-way travel time range from 1475 to 3110 m s -1 . The monotonic, cross-shore pattern in velocity distribution suggests that the seaward extent of continuous IBPF is within 37 km of the modern shoreline at water depths < 25 m. These interpretations corroborate recent Beaufort seismic refraction studies and provide the best, margin-scale evidence that continuous subsea IBPF does not currently extend to the northern limits of the continental shelf.

58 GEOSCIENCES↗

Using Low-Frequency Earthquake Families on the San Andreas Fault as Deep Creepmeters

The central section of the San Andreas Fault hosts tectonic tremor and low-frequency earthquakes (LFEs) similar to subduction zone environments. LFEs are often interpreted as persistent regions that repeatedly fail during the aseismic shear of the surrounding fault allowing them to be used as creepmeters. Here, we test this idea by using the recurrence intervals of individual LFEs within LFE families to estimate the timing, duration, recurrence interval, slip, and slip rate associated with inferred slow slip events. We formalize the definition of a creepmeter and determine whether this definition is consistent with our observations. We find that episodic families reflect surrounding creep over the interevent time, while the continuous families and the short time scale bursts that occur as part of the episodic families do not. However, when these families are evaluated on time scales longer than the interevent time these events can also be used to meter slip. A straightforward interpretation of episodic families is that they define sections of the fault where slip is distinctly episodic in well-defined slow slip events that slip 16 times the long-term rate. In contrast, the frequent short-term bursts of the continuous and short time scale episodic families likely do not represent individual creep events but rather are persistent asperities that are driven to failure by quasi-continuous creep on the surrounding fault. We find that the moment-duration scaling of our inferred creep events are inconsistent with the proposed linear moment-duration scaling. However, caution must be exercised when attempting to determine scaling with incomplete knowledge of scale.

58 GEOSCIENCES↗

Coherent Response of Antarctic Intermediate Water and Atlantic Meridional Overturning Circulation During the Last Deglaciation: Reconciling Contrasting Neodymium Isotope Reconstructions From the Tropical Atlantic

Here, the Antarctic Intermediate Water (AAIW) plays important roles in the global climate system and the global ocean nutrient and carbon cycles. However, it is unclear how AAIW responds to global climate changes. In particular, neodymium isotopic composition (ε Nd ) reconstructions from different locations from the tropical Atlantic have led to a debate on the relationship between northward penetration of AAIW into the tropical Atlantic and the Atlantic meridional overturning circulation (AMOC) variability during the last deglaciation. We resolve this controversy by studying the transient oceanic evolution during the last deglaciation using a neodymium–enabled ocean model. Our results suggest a coherent response of AAIW and AMOC: when AMOC weakens, the northward penetration and transport of AAIW decrease while its depth and thickness increase. Our study highlights that as part of the return flow of the North Atlantic Deep Water, the northward penetration of AAIW in the Atlantic is determined predominately by AMOC intensity. Moreover, the inconsistency among different tropical Atlantic ε Nd reconstructions is reconciled by considering their corresponding core locations and depths, which were influenced by different water masses in the past. The very radiogenic water from the bottom of the Gulf of Mexico and the Caribbean Sea, which was previously overlooked in the interpretations of deglacial ε Nd variability, can be transported to shallow layers during active AMOC and modulates ε Nd in the tropical Atlantic. Changes in the AAIW core depth must also be considered. Thus, interpretation of ε Nd reconstructions from the tropical Atlantic is more complicated than suggested in previous studies.

54 ENVIRONMENTAL SCIENCES↗

Preserved Neoproterozoic Continental Collision in Southeastern North America: The Brunswick Suture Zone and Osceola Continental Margin Arc

A series of exotic terranes were accreted to the eastern margin of southeastern Laurentia beginning in the Siluro-Devonian (Acadian event), and to the northeastern Laurentian margin beginning earlier (late Taconian). Many of these terranes have unclear tectonostratigraphic relationships to each other and to their parental cratons, but their accretionary history is critical to understanding the evolution of the Appalachian orogen. Two of these, the Gondwanan Suwannee and Charleston terranes, accreted during the Alleghanian orogeny and now lie beneath the Atlantic Coastal Plain in southeastern North America. Reanalysis of deep seismic reflection and well data reveals a preserved Neoproterozoic continental collision zone and associated continental margin arc, the Osceola arc, related to their juxtaposition. The subduction zone and associated strain are recorded in the newly termed Brunswick suture zone (BSZ). The BSZ is readily identified on a series of eight deep seismic reflection transects across the Brunswick Magnetic Anomaly (BMA), which we interpret as the boundary between the Charleston and Suwannee terranes. While originally interpreted to be the Late Paleozoic Alleghanian suture, new age constraints provided by the overlapping Gondwanan Paleozoic Suwannee Basin strata require the BSZ to predate the Early to Middle Paleozoic passive margin sequence of the Suwannee Basin. These results provide new insights into the tectonostratigraphic evolution of the Charleston and Suwannee terranes, the controversy surrounding the age and origin of the dipping seismic reflectors, previously attributed to the suturing of the Suwannee terrane to Laurentia, and the relationship of this suture zone to the origin of the BMA.

58 GEOSCIENCES↗

First Principle Estimation of Geochemically Important Transition Metal Oxide Properties: Structure and Dynamics of the Bulk, Surface and Mineral/Aqueous Fluid Interface

Reactions in the mineral surface/reservoir fluid interface control many geochemical processes such as the dissolution and growth of minerals (Yanina and Rosso 2008), heterogeneous oxidation/reduction (Hochella 1990, Brown 2001, Hochella, Lower et al. 2008, Navrotsky, Mazeina et al. 2008), and inorganic respiration (Newman 2010). Key minerals involved in these processes are the transition metal oxides and oxyhydroxides (e.g., hematite, Fe2O3, and goethite, FeOOH)(Brown, Henrich et al. 1999, Brown 2001, Hochella, Lower et al. 2008, Navrotsky, Mazeina et al. 2008). To interpret and predict these processes, it is necessary to have a high level of understanding of the interactions between the formations containing these minerals and their reservoir fluids. However, these are complicated chemical events occurring under a wide range of T, P, and X conditions and the interpretation is complicated by the highly heterogeneous nature of natural environments (Hochella 1990, Hochella, Lower et al. 2008, Navrotsky, Mazeina et al. 2008) and the electronic and structural complexity of the oxide materials involved(Cox 1992, Kotliar and Vollhardt 2004, Navrotsky, Mazeina et al. 2008). In addition, also because of the complexity of the minerals involved and the heterogeneous nature of natural systems, the direct observation of these reactions at the atomic level is experimentally extremely difficult. Theoretical simulations will provide important support for analysis of the geochemistry of the mineral surface/fluid region as well as provide essential tools to extrapolate laboratory measurements to the field environment.

Environmental Molecular Sciences Laboratory↗

Chapter 24: Two- and Three-Dimensional Electronic Modeling of Thin-Film Solar Cells

Modeling can provide physical insight to device operation, help distinguish important material properties from unimportant properties, predict trends, and help interpret experimental data. Numerical modeling is also useful to simulate different electro-optical experiments, in the presence of grain boundaries (GBs) and nonplanar junctions and geometries, and to help interpret data obtained in such experiments. This chapter presents methods for effective multidimensional modeling. The first step in creating a computational model is defining and providing discretization of a 2D area or a 3D volume. Two main approaches to the discretization have been used for studying solar cells: equivalent-circuit modeling and solving semiconductor equations. The chapter gives some examples of problems that were addressed with 2D or 3D modeling and the knowledge that was gained through them. Multidimensional modeling including GBs and other material variations is necessary to explain the device physics and experimental results present in diverse thin-film technologies.

14 SOLAR ENERGY↗

Why it is Unfortunate that Linear Machine Learning “Works” so well in Electromechanical Switching of Ferroelectric Thin Films

Machine learning (ML) is relied on for materials spectroscopy. It is challenging to make ML models fail because statistical correlations can mimic the physics without causality. Here, using a benchmark band-excitation piezoresponse force microscopy polarization spectroscopy (BEPS) dataset the pitfalls of the so-called “better”, “faster”, and “less-biased” ML of electromechanical switching are demonstrated and overcome. Using a toy and real experimental dataset, it is demonstrated how linear nontemporal ML methods result in physically reasonable embedding (eigenvalues) while producing nonsensical eigenvectors and generated spectra, promoting misleading interpretations. A new method of unsupervised multimodal hyperspectral analysis of BEPS is demonstrated using long-short-term memory (LSTM) β-variational autoencoders (β-VAEs) . By including LSTM neurons, the ordinal nature of ferroelectric switching is considered. Further, to improve the interpretability of the latent space, a variational Kullback–Leibler-divergency regularization is imposed . Finally, regularization scheduling of β as a disentanglement metric is leveraged to reduce user bias. Combining these experiment-inspired modifications enables the automated detection of ferroelectric switching mechanisms, including a complex two-step, three-state one. Ultimately, this work provides a robust ML method for the rapid discovery of electromechanical switching mechanisms in ferroelectrics and is applicable to other multimodal hyperspectral materials spectroscopies.

36 MATERIALS SCIENCE↗

Phase Selection Rules of Multi‐Principal Element Alloys

Abstract Computational prediction of phase stability of multi‐principal element alloys (MPEAs) holds a lot of promise for rapid exploration of the enormous design space and autonomous discovery of superior structural and functional properties. Regardless of many plausible works that rely on phenomenological theory and machine learning, precise prediction is still limited by insufficient data and the lack of interpretability of some machine learning algorithms, e.g., convolutional neural network. In this work, a comprehensive approach is presented, encompassing the development of a complete dataset that contains 72 387 density functional theory calculations, as well as a predictive global phenomenological descriptor. The phase selection descriptor, based on atomic electronegativity and valence electron concentration, significantly outperforms the widely used valence electron concentration, excelling in both accuracy (with an f1 score of 63% compared to 47%) and its ability to predict the HCP phase (0.48 recall compared to 0). The comprehensive data mining on the global design space of 61 425 quaternary MPEAs made from 28 possible metals, together with the phenomenological theory and physical interpretation, will set up a solid computational science foundation for data‐driven exploration of MPEAs.

Chemistry↗

Large Built‐In Fields Control the Electronic Properties of Nanoscale Molecular Devices with Dipolar Structures

Abstract Large area molecular junctions are nanoscale materials made of a molecular layer sandwiched between two metal electrodes. In this study, a fundamental property of these systems is demonstrated: the emergence of a large built‐in field, typically as high as 10 9 V m −1 , and susceptible to appear in any junction possessing an asymmetry. This field originates from permanent dipoles in the contacted molecular layer and is responsible for a large renormalization of the band alignment in the junction. To illustrate this effect, a predictive theoretical characterization of two realistic gold‐thiolate‐based organic layers is carried out. The parameters leading to the emergence of the built‐in field are given and the very large renormalization effect is interpreted in terms of an applied voltage drop. Despite a high significance, this generic feature of molecular junctions has widely been neglected hitherto in the design and interpretation of molecular device characteristics. Built‐in fields provide a powerful way to achieve structure–property relationships in molecular junctions, by taking advantage of dipolar nanometric building blocks.

Van Dyck, Colin↗

Predicting Solar Cell Performance from Terahertz and Microwave Spectroscopy

Abstract Mobilities and lifetimes of photogenerated charge carriers are core properties of photovoltaic materials and can both be characterized by contactless terahertz or microwave measurements. Here, the expertise from fifteen laboratories is combined to quantitatively model the current‐voltage characteristics of a solar cell from such measurements. To this end, the impact of measurement conditions, alternate interpretations, and experimental inter‐laboratory variations are discussed using a (Cs,FA,MA)Pb(I,Br) 3 halide perovskite thin‐film as a case study. At 1 sun equivalent excitation, neither transport nor recombination is significantly affected by exciton formation or trapping. Terahertz, microwave, and photoluminescence transients for the neat material yield consistent effective lifetimes implying a resistance‐free JV‐curve with a potential power conversion efficiency of 24.6 %. For grainsizes above ≈20 nm, intra‐grain charge transport is characterized by terahertz sum mobilities of ≈32 cm 2 V −1 s −1 . Drift‐diffusion simulations indicate that these intra‐grain mobilities can slightly reduce the fill factor of perovskite solar cells to 0.82, in accordance with the best‐realized devices in the literature. Beyond perovskites, this work can guide a highly predictive characterization of any emerging semiconductor for photovoltaic or photoelectrochemical energy conversion. A best practice for the interpretation of terahertz and microwave measurements on photovoltaic materials is presented.

14 SOLAR ENERGY↗

Computer Vision Pipeline for Image Analysis for Freeze‐Fracture Electron Microscopy: Rosette Cellulose Synthase Complexes Case

In materials science, plant biology, agriculture, and environmental research, the automated analysis of high-magnification, complex microscopy images, such as those generated by freeze-fracture electron microscopy (FF-TEM), remains a critical challenge that limits the scalability of data interpretation. We present a deep learning computer vision pipeline for high-throughput detection and morphological characterization analysis of cellulose synthase complexes (CSCs, or rosettes) in FF-TEM images. The pipeline integrates preprocessing, detection, human-in-the-loop verification, and semantic segmentation to quantify features such as rosette diameter and inter-lobe spacing. The approach was trained and tested on a curated dataset of high-resolution FF-TEM micrographs of Physcomitrium patens, expanded via strategic tiling and augmentation to over 650 images. We compare YOLOv8 and YOLOv9 architectures and demonstrate that YOLOv9 achieves superior performance in both localization accuracy (mAP50-95 = 0.854) and inference speed. The resulting distributions revealed biological variability consistent with prior manual studies, validating the approach for high-throughput applications. Our results show that the pipeline achieves human-expert level accuracy while dramatically reducing analysis time, enabling scalable, reproducible structural characterization of intramembrane protein complexes. The pipeline is broadly applicable to other domains requiring precise interpretation of complex microscopy data and establishes a foundation for future artificial intelligence (AI)-assisted workflows in biological imaging.

59 BASIC BIOLOGICAL SCIENCES↗

Toward Intelligent Multimodal Holography for Real-Time Chemical Imaging of Dynamic Ion Separation

Molecular-level visualization of ion transport and separation dynamics in complex environments is crucial for advancing energy systems, water purification, and critical materials recovery. Achieving this requires imaging platforms that combine structural sensitivity, chemical specificity, and real-time operation. Digital off-axis holography (DOAH) provides high-throughput, label-free quantitative phase imaging but inherently lacks chemical selectivity. Integrating DOAH with complementary spectroscopic channels such as fluorescence or hyperspectral imaging introduces the needed molecular specificity, while also creating challenges in multimodal data fusion, synchronization, and computational throughput. Artificial intelligence offers a powerful route to address these limitations by uniting physics-based reconstruction with data-driven interpretation. In this Perspective, we outline a framework for intelligent multimodal holography and demonstrate its potential using a preliminary AI-driven test case. Raw DOAH holograms of lanthanide solutions subjected to magnetic field gradients were analyzed using multi-agent AI workflows that autonomously selected reconstruction tools, extracted NMF components, and generated scientific claims consistent with true paramagnetic and diamagnetic behavior. This demonstration shows how AI-enabled reasoning can deliver real-time chemical–structural interpretation directly from raw holograms. Together, these advances define a path toward adaptive, intelligent holography platforms capable of supporting in situ chemical separations, dynamic ion transport analysis, and next-generation interfacial science.

Ricchiuti, Giovanna↗

CO2 Hydrogenation to Hydrocarbons over Fe/BZY Catalysts

This manuscript reports a CO2 hydrogenation process in a catalytic laboratory-scale packed-bed reactor using an Fe/BZY15 (BaZr0.8Y0.15O3-d) catalyst to form hydrocarbons (e.g., CH4, C2+) at elevated pressure of 30 bar and temperatures in the range 270 = T = 375 degrees C. The effects of temperature, feed composition (i.e., CO2/H2 ratio, and residence time (i.e., Weight Hourly Space Velocity (WHSV) are studied to understand the relationship between CO2 conversion and carbon selectivity. Catalyst characterization elucidates the relationships between the catalyst structure, surface adsorbates, and reaction pathways. Thermodynamic analyses guide the experimental conditions and assist interpreting results. While the feed composition and temperature influence the product distribution, the results suggest that the higher-carbon (C2+) selectivity and yield depend strongly on residence time. The results suggest that the CO2 hydrogenation reaction pathway is similar to Fischer-Tropsch (FT) synthesis. The reaction begins with CO2 activation to form CO, followed by chain-growth reactions similar to the FT process. The CO2 activation depends on the redox activity of the catalyst. However, the carbon chain growth depends primarily on the residence time. as is the case for the FT synthesis, high residence time (on the orders of hours) is required to achieve high C2+ yield. For such high residence times, catalyst-fouling carbon deposition can be problematic. The coke-resistant BZY15 catalyst support contributes to the catalytic activity and enables a coke-free operation for more than 100 h time-on-stream.

bi-functional catalyst↗