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At least 433 records · Page 24

A multi-phase-field model of topological pattern formation during electrochemical dealloying of binary alloys

Porous metal structures produced by electrochemical dealloying have been extensively studied for use in various applications that require high surface areas. A new comprehensive multi-phase-field (MPF) model is proposed to study topological porous patterns formed by spontaneously etching a bulk binary alloy that involves electrochemical reactions, bulk and surface diffusion, ion transport, applied electrode potential, and charge conservation. The governing equations for the alloy-porous cluster-electrolyte system account for a generalized Butler-Volmer electrochemical reaction and are in accordance with the classical nucleation theory. Based on a quantitative examination of the effects of electrode potential and precursor composition, the simulation results reproduce typical phenomena including passive surface dealloying, active porosity evolution, critical potential, and characteristic length scale in two-dimension (2-D) and three-dimension (3-D). To consider more complicated dealloying systems, the evolutions of a bimodal porous metal structure, nanocomposite, and nested porous network with a structured hierarchy are investigated. Finally, the proposed model can be a useful tool for understanding and predicting the morphology evolution of diverse porous structures during electrochemical dealloying.

Hierarchical porous structure↗

The Seismic Signatures of Recently Formed Impact Craters on Mars

We investigated the seismic signatures of recent impact crater clusters on Mars that would be recorded by the Interior Exploration using Seismic Investigations, Geodesy and Heat Transport (InSight)seismometers. We used a database of 77 measured and dated impact sites, with craters with diameters between 2.1 and 33.8 m, along with inferred impact angle, bolide trajectory, and varying target material properties to empirically scale for the momentum, expected seismic source function, and radiation pattern of impacts. The impact source is simulated in a local 3‐Dfinite difference wave propagation code and coupled to teleseismic distances by scaling the spectra of 1‐D global synthetic seismograms. We use the InSight seismometer noise floors to estimate detectability of impact(s) across azimuth and distance. Our experiments reveal that impact clusters have a higher peak corner frequency resulting from energy contributed by smaller craters to the power spectrum. We also find that the time separation between individual impacts in a cluster is small (<10–15 ms) and requires a seismometer closely situated to the source (<10 km) and a high sampling rate (>100 Hz) to resolve individual impacts within the cluster. Two of the clusters in our database(>20‐m effective diameter) would have been detectable by InSight, with the assumptions that the Martian background noise and seismic attenuation are both low. Joint detection of surface changes from newly formed crater(s) in images and by InSight will provide precise source locations that are crucial for constraining the internal structure of Mars

N. C. Schmerra↗

Source Analysis of Ozone Pollution in Liaoyuan City’s Atmosphere Based on Machine Learning Models and HYSPLIT Clustering Method

Firstly, this study investigates the spatiotemporal distribution characteristics of the ozone (O 3 ) pollution in Liaoyuan City using monitoring data from 2015 to 2024. Then, three machine learning models (ML)—random forest (RF), support vector machine (SVM), and artificial neural network (ANN)—are employed to quantify the influence of meteorological and non-meteorological factors on O 3 concentrations. Finally, the HYSPLIT clustering method and CMAQ model are utilized to analyze inter-regional transport characteristics, identifying the causes of O 3 pollution. The results indicate that O 3 pollution in Liaoyuan exhibits a distinct seasonal pattern, with the highest concentrations found in spring and summer, peaking in the afternoon. Among the three ML models, the random forest model demonstrates the best predictive performance (R 2 = 0.9043). Feature importance identifies NO 2 as the primary driving factor, followed by meteorological conditions in the second quarter and land surface characteristics. Furthermore, regional transport significantly contributes to O 3 pollution, with approximately 80% of air mass trajectories in heavily polluted episodes originating from adjacent industrial areas and the sea. The combined effects of transboundary precursors and O 3 transport with local emissions and meteorological conditions further increase the O 3 pollution level. This study highlights the need to strengthen coordinated NO X and VOCs emission reductions and enhance regional joint prevention and control strategies in China.

HYSPLIT clustering↗

Preliminary Study of (2-D) Digital Filtering for Dealiasing NOSS Wind Direction Data

A pattern classification approach to wind streamline direction ambiguity removal is investigated. The basic approach involves establishing an appropriate measurement of a characterizing vector of the streamline orientation angle parameter surface. Clustering and training techniques are employed to distinguish major meteorological features from which directional information may be determined.

Stoughton, J. W.↗

Halococcus salifodinae sp. nov., an Archaeal Isolate from an Austrian Salt Mine

A novel extremely halophilic archaeon (archaebacterium) was isolated from rock salt obtained from an Austrian salt mine. The deposition of the salt is thought to have occurred during the Permian period (225 x 106 to 280 x 10(exp 6) years ago). This organism grew over a pH range of 6.8 to 9.5. Electron microscopy revealed cocci in tetrads or larger clusters. The partial 16S rRNA sequences, polar lipid composition, and menaquinone content suggested that this organism was related to members of the genus Halococcus, while the whole-cell protein patterns, the presence of several unknown lipids, and the presence of pink pigmentation indicated that it was different from previously described coccoid halophiles. We propose that this isolate should be recognized as a new species and should be named Halococcus salifodinae. The type strain is Bl(sub p) (= ATCC 51437 = DSM 8989). A chemotaxonomically similar microorganism was isolated from a British salt mine.

Denner, Ewald B. M.↗

Three-Dimensional Patterning of Nanoparticles by Molecular Stamping

Directing the formation of nanoscale architectures from nanoparticles is one of the key challenges in designing nanomaterials with prescribed functions. Atomic systems, given their ability to form molecules and crystals via directional chemical bonds, provide an inspiration for establishing approaches where nanoparticles with designed anisotropic binding modalities can be assembled into nanoscale architectures. However, fabricating such nanoparticles has been challenging due to their small dimensions and limited ways for site-specific control of their surface. To this end, we present a Molecular Stamping (MOST) approach to pattern DNA-coated nanoparticles with molecules at the predefined positions on a nanoparticle surface. This patterning is realized by use of a rigid and coordinative DNA frame as a molecular stamping apparatus (MOST App). The MOST App transfers multiple types of molecular “inks”, DNA sequences, onto nanoparticle surface and fixes these molecular inks into place to form a designed pattern. After a nanoparticle release from MOST App, it possesses single-molecule patches that can provide anisotropic bonds with distinctive affinities. We further use these stamped nanoparticles to assemble prescribed clusters, whose structure is determined by the locations of patches. Using electron microscopy and tomographic methods, we investigate the efficiency of cluster formation and the resulting spatial arrangements of nanoparticles. The presented approach provides a single-molecule and spatiallydetermined control over nanoparticle functionalization for creating nanoparticles with designed placement of different molecules and for realizing a rational fabrication of nanomaterial architectures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Pattern recognition for Space Applications Center director's discretionary fund

Results and conclusions are presented on the application of recent developments in pattern recognition to spacecraft star mapping systems. Sensor data for two representative starfields are processed by an adaptive shape-seeking version of the Fc-V algorithm with good results. Cluster validity measures are evaluated, but not found especially useful to this application. Recommendations are given two system configurations worthy of additional study,

Singley, M. E.↗

A fuzzy clustering algorithm to detect planar and quadric shapes

In this paper, we introduce a new fuzzy clustering algorithm to detect an unknown number of planar and quadric shapes in noisy data. The proposed algorithm is computationally and implementationally simple, and it overcomes many of the drawbacks of the existing algorithms that have been proposed for similar tasks. Since the clustering is performed in the original image space, and since no features need to be computed, this approach is particularly suited for sparse data. The algorithm may also be used in pattern recognition applications.

Krishnapuram, Raghu↗

Aerosols Optical and Radiative Properties in Indonesia Based on AERONET Version 3

Heterogeneity in seasonal aerosol types due to different sources, local characteristics, and meteorology lead to different optical and radiative properties from one place to another. This study analyzes the long-term averages of aerosol optical and radiative properties obtained by the Aerosol Robotic Network (AERONET) version 3 at four sites in Indonesia representing fire prone areas (Palangka Raya, Pontianak, Jambi: 2012–2020), and urban-industrial (Bandung: 2009–2018). We examined the seasonal variation of aerosol optical depth (AOD), Angstrom Exponent (AE), Precipitable Water Vapor (PWV), and Single Scattering Albedo (SSA) combined with meteorological parameters at these Indonesian sites. Multiple clustering techniques from different relationships among various aerosol optical and radiative parameters was employed to further study the aerosol type in respect to different seasonality. The results exhibited a distinct seasonal pattern at all sites except Bandung, whereas AOD increased owing to forest and peat fire outbreaks during the dry season. The trend in AOD annual depicts an increase in Bandung as emission from urban/industrial increases episodically, while it depicts a decrease at the three biomass burning sites. As AOD increased, Palangka Raya, Pontianak, and Jambi exhibited wider ranges of observed AE (1.2–1.8) and high FMF (>0.8) in the dry burning period (June to October). On the other hand, Bandung has more aerosol distribution in the range of FMF values 0.6–1 and AE 1–1.6, compared with other sites, suggesting contribution of complex aerosol emission from different sources and likely due to the formation of secondary aerosol production from trace gases. Palangka Raya, Pontianak, and Jambi exhibited non-absorbing characteristics, as indicated by high SSA (>0.95), high FMF, and high EAE values (1.2–1.7) with no discrepancy in seasonal patterns, implying that biomass burning aerosols in Indonesia tend to cool the atmosphere with strong scattering rather than absorbing. At Bandung, aerosols mixed with slightly absorbing and non-absorbing aerosols owing to urban and industrial emissions. This study lays a foundation for further research on the contribution of aerosol radiative forcing to climate within the complex aerosol and cloud environments in Indonesia.

Aerosol optical depth↗

Using Machine Learning to Infer Material Properties of Debris Fragments from X-ray Images in the DebriSat Project

The DebriSat project is a collaboration effort with the NASA Orbital Debris Program Office, the U.S. Space Force Space Systems Command Center, The Aerospace Corporation, and the University of Florida. To date, over 200,000 fragments from this ground-based, hypervelocity impact experiment have been collected, and processing is underway to determine their physical characteristics, such as material, shape, color, characteristic length, and average cross-sectional area. The x-ray process is primarily used to identify the location of the fragments and estimated size for extraction, so that these physical characteristics can be assessed. This paper proposes a machine learning-based approach to characterize materials from x-ray images of debris fragments embedded in soft-catch foam used in the DebriSat project. The novel methodology discussed in this paper will highlight the use of x-ray imagery data to characterize these fragments without extraction or a human-in-the-loop. Both supervised and unsupervised machine learning techniques are utilized with this approach to infer the physical parameters of the fragments embedded in the soft-catch foam panels used in the impact experiment based on x-ray images of the foam panels. Additionally, 3D reconstructions of the extracted fragments are created with images taken from two different angles using the structure from motion (SfM) method. The characteristic lengths and shape from the 3D reconstruction, alongside the physical characteristics of the debris, are used in the inference of the material type. To develop and test the approach, a dataset of x-ray images of debris fragments of varying sizes and materials is collected. Supervised learning methods such as convolutional neural networks (CNNs), support vector machines (SVM), decision trees, and random forest classifiers are used due to the high-dimensional feature spaces of the debris and nonlinear decision boundaries for material categorization. Given the limited pre-labeled data of embedded debris materials smaller than 10 mm, unsupervised machine learning techniques such as clustering algorithms and autoencoders are used, in addition to supervised learning methods. The clustering algorithms group similar fragments together based on their physical properties, and autoencoders reduce the dimensionality of the x ray images and extract relevant features. The performance of the proposed approach's is analyzed using a range of statistical methods, including confusion matrices, receiver operating characteristic curves, and precision-recall curves. The results are compared with those obtained using a baseline approach that relies on manual identification and classification of debris fragments. To evaluate the effectiveness of different machine learning methods, statistical tests such as t-tests, ANOVA, and cross-validation are performed, comparing the performance of CNNs, SVMs, clustering algorithms, and autoencoders. Additional analysis needs to be conducted to identify any sources of bias or variability that may affect the results, such as variations in imaging conditions or fragmentation patterns. Other topics explored are limitations, refinements, and the potential use of semi-supervised learning techniques, such as self-training to label unlabeled datasets and co-training using x-ray images taken from two different angles as two different models.

Saik Anam Siam↗

Using Machine Learning to Infer Material Properties of Debris Fragments from X-ray Images in the DebriSat Project

The DebriSat project is a collaboration effort with the NASA Orbital Debris Program Office, the U.S. Space Force Space Systems Command Center, The Aerospace Corporation, and the University of Florida. To date, over 200,000 fragments from this ground-based, hypervelocity impact experiment have been collected, and processing is underway to determine their physical characteristics, such as material, shape, color, characteristic length, and average cross-sectional area. The x-ray process is primarily used to identify the location of the fragments and estimated size for extraction, so that these physical characteristics can be assessed. This paper proposes a machine learning-based approach to characterize materials from x-ray images of debris fragments embedded in soft-catch foam used in the DebriSat project. The novel methodology discussed in this paper will highlight the use of x-ray imagery data to characterize these fragments without extraction or a human-in-the-loop. Both supervised and unsupervised machine learning techniques are utilized with this approach to infer the physical parameters of the fragments embedded in the soft-catch foam panels used in the impact experiment based on x-ray images of the foam panels. Additionally, 3D reconstructions of the extracted fragments are created with images taken from two different angles using the structure from motion (SfM) method. The characteristic lengths and shape from the 3D reconstruction, alongside the physical characteristics of the debris, are used in the inference of the material type. To develop and test the approach, a dataset of x-ray images of debris fragments of varying sizes and materials is collected. Supervised learning methods such as convolutional neural networks (CNNs), support vector machines (SVM), decision trees, and random forest classifiers are used due to the high-dimensional feature spaces of the debris and nonlinear decision boundaries for material categorization. Given the limited pre-labeled data of embedded debris materials smaller than 10 mm, unsupervised machine learning techniques such as clustering algorithms and autoencoders are used, in addition to supervised learning methods. The clustering algorithms group similar fragments together based on their physical properties, and autoencoders reduce the dimensionality of the x ray images and extract relevant features. The performance of the proposed approach's is analyzed using a range of statistical methods, including confusion matrices, receiver operating characteristic curves, and precision-recall curves. The results are compared with those obtained using a baseline approach that relies on manual identification and classification of debris fragments. To evaluate the effectiveness of different machine learning methods, statistical tests such as t-tests, ANOVA, and cross-validation are performed, comparing the performance of CNNs, SVMs, clustering algorithms, and autoencoders. Additional analysis needs to be conducted to identify any sources of bias or variability that may affect the results, such as variations in imaging conditions or fragmentation patterns. Other topics explored are limitations, refinements, and the potential use of semi-supervised learning techniques, such as self-training to label unlabeled datasets and co-training using x-ray images taken from two different angles as two different models.

Saik Anam Siam↗

A Melanoma Brain Metastasis CTC Signature and CTC:B-cell Clusters Associate with Secondary Liver Metastasis: A Melanoma Brain–Liver Metastasis Axis

Melanoma brain metastasis is linked to dismal prognosis and low overall survival and is detected in up to 80% of patients at autopsy. Circulating tumor cells (CTC) are the smallest functional units of cancer and precursors of fatal metastasis. We previously used an unbiased multilevel approach to discover a unique ribosomal protein large/small subunit (RPL/RPS) CTC gene signature associated with melanoma brain metastasis. In this study, we hypothesized that CTC-driven melanoma brain metastasis secondary metastasis (“metastasis of metastasis” per clinical scenarios) has targeted organ specificity for the liver. We injected parallel cohorts of immunodeficient and newly developed humanized NBSGW (huNBSGW) mice with cells from CTC-derived melanoma brain metastasis to identify secondary metastatic patterns. We found the presence of a melanoma brain–liver metastasis axis in huNBSGW mice. Furthermore, RNA sequencing analysis of tissues showed a significant upregulation of the RPL/RPS CTC gene signature linked to metastatic spread to the liver. Additional RNA sequencing of CTCs from huNBSGW blood revealed extensive CTC clustering with human B cells in these mice. CTC:B-cell clusters were also upregulated in the blood of patients with primary melanoma and maintained either in CTC-driven melanoma brain metastasis or melanoma brain metastasis CTC–derived cells promoting liver metastasis. CTC-generated tumor tissues were interrogated at single-cell gene and protein expression levels (10x Genomics Xenium and HALO spatial biology platforms, respectively). Collectively, our findings suggest that heterotypic CTC:B-cell interactions can be critical at multiple stages of metastasis.

60 APPLIED LIFE SCIENCES↗

Shallow convection on day 261 of GATE - Mesoscale arcs

Cloudy convection in the moist layer of a cloud cluster growing in the GATE ship array is examined. Analyses suggest that the moist layer was dominated by features of horizontal dimension roughly 40 km and lifetime roughly 2 h, with arc patterns triggered by dense downdraft air accompanying rainfall, and composed of many small cumulus clouds. Aircraft recorded data on thermodynamic quantities and winds, indicating that the arcs persisted as mesoscale circulations driven by the release of latent heat in the clouds, rather than being driven by the original density current at the surface. It is also suggested that the mesoscale cloud patterns of the moist layer play a primary role in heat transfer upward within this layer, and contribute to the forcing of showering midtropospheric clouds.

Warner, C.↗

KAM (Knowledge Acquisition Module): A tool to simplify the knowledge acquisition process

Analysts, knowledge engineers and information specialists are faced with increasing volumes of time-sensitive data in text form, either as free text or highly structured text records. Rapid access to the relevant data in these sources is essential. However, due to the volume and organization of the contents, and limitations of human memory and association, frequently: (1) important information is not located in time; (2) reams of irrelevant data are searched; and (3) interesting or critical associations are missed due to physical or temporal gaps involved in working with large files. The Knowledge Acquisition Module (KAM) is a microcomputer-based expert system designed to assist knowledge engineers, analysts, and other specialists in extracting useful knowledge from large volumes of digitized text and text-based files. KAM formulates non-explicit, ambiguous, or vague relations, rules, and facts into a manageable and consistent formal code. A library of system rules or heuristics is maintained to control the extraction of rules, relations, assertions, and other patterns from the text. These heuristics can be added, deleted or customized by the user. The user can further control the extraction process with optional topic specifications. This allows the user to cluster extracts based on specific topics. Because KAM formalizes diverse knowledge, it can be used by a variety of expert systems and automated reasoning applications. KAM can also perform important roles in computer-assisted training and skill development. Current research efforts include the applicability of neural networks to aid in the extraction process and the conversion of these extracts into standard formats.

Gettig, Gary A.↗

Large-Scale Circulation and Climate Variability

The causes of regional climate trends cannot be understood without considering the impact of variations in large-scale atmospheric circulation and an assessment of the role of internally generated climate variability. There are contributions to regional climate trends from changes in large-scale latitudinal circulation, which is generally organized into three cells in each hemisphere-Hadley cell, Ferrell cell and Polar cell-and which determines the location of subtropical dry zones and midlatitude jet streams. These circulation cells are expected to shift poleward during warmer periods, which could result in poleward shifts in precipitation patterns, affecting natural ecosystems, agriculture, and water resources. In addition, regional climate can be strongly affected by non-local responses to recurring patterns (or modes) of variability of the atmospheric circulation or the coupled atmosphere-ocean system. These modes of variability represent preferred spatial patterns and their temporal variation. They account for gross features in variance and for teleconnections which describe climate links between geographically separated regions. Modes of variability are often described as a product of a spatial climate pattern and an associated climate index time series that are identified based on statistical methods like Principal Component Analysis (PC analysis), which is also called Empirical Orthogonal Function Analysis (EOF analysis), and cluster analysis.

Perlwitz, J.↗

High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States

Soluble methane monooxygenase (sMMO) is a multicomponent metalloenzyme that catalyzes the conversion of methane to methanol at ambient temperature using a nonheme, oxygen-bridged dinuclear iron cluster in the active site. Structural changes in the hydroxylase component (sMMOH) containing the diiron cluster caused by complex formation with a regulatory component (MMOB) and by iron reduction are important for the regulation of O 2 activation and substrate hydroxylation. Structural studies of metalloenzymes using traditional synchrotron-based X-ray crystallography are often complicated by partial X-ray-induced photoreduction of the metal center, thereby obviating determination of the structure of the enzyme in pure oxidation states. Here, microcrystals of the sMMOH:MMOB complex from Methylosinus trichosporium OB3b were serially exposed to X-ray free electron laser (XFEL) pulses, where the ≤35 fs duration of exposure of an individual crystal yields diffraction data before photoreduction-induced structural changes can manifest. Merging diffraction patterns obtained from thousands of crystals generates radiation damage-free, 1.95 Å resolution crystal structures for the fully oxidized and fully reduced states of the sMMOH:MMOB complex for the first time. The results provide new insight into the manner by which the diiron cluster and the active site environment are reorganized by the regulatory protein component in order to enhance the steps of oxygen activation and methane oxidation. Furthermore, this study also emphasizes the value of XFEL and serial femtosecond crystallography (SFX) methods for investigating the structures of metalloenzymes with radiation sensitive metal active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dara: Automated Multiple-Hypothesis Phase Identification and Refinement from Powder X-ray Diffraction

Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphase systems, remains a manual and expertise-demanding task. As a characterization method that only provides structural information, multiple reference phases can often be fit to a single pattern, leading to potential misinterpretation when alternative solutions are overlooked. To ease humans’ efforts and address the challenge, we introduce Dara (data-driven automated Rietveld analysis), a framework designed to automate the robust identification and refinement of multiple phases from powder XRD data. Dara performs an exhaustive tree search over all plausible phase combinations within a given chemical space and validates each hypothesis using the BGMN Rietveld refinement routine. Key features include structural database filtering, automatic clustering of isostructural phases during tree expansion, and peak-matching-based scoring to identify promising phases for refinement. When ambiguity exists, Dara generates multiple hypothesis which can then be decided between by human experts or with further characterization tools. By enhancing the reliability and accuracy of phase identification, Dara enables scalable analysis of realistic complex XRD patterns and provides a foundation for integration into multimodal characterization workflows, moving toward fully self-driving materials discovery.

Biological databases↗

Leveraging BERT and Network-Based Attention Analysis for Identifying Treatment Milestones in EHRs

This study introduces a sophisticated data-driven framework for analyzing Electronic Health Records (EHRs) using transformer-based models to identify and disentangle overlapping treatment contexts. The framework leverages a preprocessing pipeline that transforms structured procedural codes into semantically enriched descriptive text, enabling the use of attention mechanisms to cluster medical events into treatment milestones—cohesive and distinct components of care processes. The methodology is rigorously validated using synthetic datasets derived from the MIMIC-III database, designed to simulate the heterogeneity and overlapping procedural contexts characteristic of real-world EHR scenarios. Quantitative evaluation highlights the framework’s robustness in disentangling concurrent care pathways, with attention metrics and unsupervised clustering approaches demonstrating the ability to preserve intra-context relationships while distinguishing inter-context dependencies. By addressing challenges inherent in data heterogeneity, this approach provides a foundation for uncovering complex treatment patterns, advancing clinical decision-making, and optimizing resource allocation in diverse healthcare environments.

Kim, Minsu [ORNL] (ORCID:0000000224185535)↗