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At least 1,261 records · Page 70

The velocity field of clusters of galaxies within 100 megaparsecs. II - Northern clusters

Distances and peculiar velocities for galaxies in eight clusters and groups have been determined by means of the near-infrared Tully-Fisher relation. With the possible exception of a group halfway between us and the Hercules Cluster, we observe peculiar velocities of the same order as the measuring errors of about 400 km/s. The present sample is drawn from the northern Galactic hemisphere and delineates a quiet region in the Hubble flow. This contrasts with the large-scale flows seen in the Hydra-Centaurus and Perseus-Pisces regions. We compare the observed peculiar velocities with predictions based upon the gravity field inferred from the IRAS redshift survey. The differences between the observed and predicted peculiar motions are generally small, except near dense structures, where the observed motions exceed the predictions by significant amounts. Kinematic models of the velocity field are also compared with the data. We cannot distinguish between parameterized models with a great attractor or models with a bulk flow.

Mould, J. R.↗

Establishment of computerized numerical databases on thermophysical and other properties of molten as well as solid materials and data evaluation and validation for generating recommended reliable reference data

The Center for Information and Numerical Data Analysis and Synthesis, (CINDAS), measures and maintains databases on thermophysical, thermoradiative, mechanical, optical, electronic, ablation, and physical properties of materials. Emphasis is on aerospace structural materials especially composites and on infrared detector/sensor materials. Within CINDAS, the Department of Defense sponsors at Purdue several centers: the High Temperature Material Information Analysis Center (HTMIAC), the Ceramics Information Analysis Center (CIAC) and the Metals Information Analysis Center (MIAC). The responsibilities of CINDAS are extremely broad encompassing basic and applied research, measurement of the properties of thin wires and thin foils as well as bulk materials, acquisition and search of world-wide literature, critical evaluation of data, generation of estimated values to fill data voids, investigation of constitutive, structural, processing, environmental, and rapid heating and loading effects, and dissemination of data. Liquids, gases, molten materials and solids are all considered. The responsibility of maintaining widely used databases includes data evaluation, analysis, correlation, and synthesis. Material property data recorded on the literature are often conflicting, diverging, and subject to large uncertainties. It is admittedly difficult to accurately measure materials properties. Systematic and random errors both enter. Some errors result from lack of characterization of the material itself (impurity effects). In some cases assumed boundary conditions corresponding to a theoretical model are not obtained in the experiments. Stray heat flows and losses must be accounted for. Some experimental methods are inappropriate and in other cases appropriate methods are carried out with poor technique. Conflicts in data may be resolved by curve fitting of the data to theoretical or empirical models or correlation in terms of various affecting parameters. Reasons (e.g. phase transitions) must be found for unusual dependence or any anomaly. Such critical evaluation involves knowledge of theory, experience in measurement, familiarity with metallurgy (microstructural behavior) and not inconsiderable judgment. An examination of typical data compiled and analyzed by CINDAS shows that the thermal conductivity of a material reported in the literature may vary by a factor of two of more; the range of reported values increases as temperature increases reflecting the difficulty of high temperature measurements. Often only estimates of melt behavior are available, despite the importance of melt properties in modeling, welding, or other solidification processes. There may be only a few measurements available for properties such as kinematic viscosity, even for widely used materials such as stainless steel. In the face of such a paucity of existing data and in a national environment where too few new data are being generated it is nonetheless the responsibility of CINDAS to select and disseminate recommended values of a wide variety of thermophysical properties.

Ho, C. Y.↗

Electronic structure analysis and DFT benchmarking of Rydberg-type alkali-metal-crown ether, -cryptand, and -adamanzane complexes

Density functional theory (DFT) and electron propagator theory (EPT) calculations were performed to study ground and excited electronic structures of alkali-metal (M) coordinated 9-crown-3, 24-crown-8, [2.1.1]cryptand, o-Me 2 -1.1.1, and 3 6 Adamanzane complexes. Each complex bears an expanded electron in the periphery and occupies diffuse 1p-, 1d-, 1f-type molecular orbitals (or superatomic 1P, 1D, 1F orbitals) in excited electronic states. The calculated superatomic shell model of the M(9-crown-3) 2 is 1S, 1P, 1D, 1F, 2S, 2P, 2D, 1G and it is held by all other complexes up to the studied 1F level. Due to the highly diffuse nature of the electron, the ionization energies of these complexes are significantly lower (1.6–2.0 eV) and hence these complexes belong to the superalkali category. Further, the ab initio EPT ionization energy and the excitation energies of the Li(9-crown-3) 2 were used to evaluate DFT errors associated with a series of exchange correlation functionals that span multiple rungs of Jacob's ladder (i.e., GGA, meta-GGA, global GGA hybrid, meta-GGA hybrid, range-separated hybrid, double-hybrid). Among these, the best performing functional is the range-separated hybrid CAM-B3LYP and the errors are within 6% of high-level ab initio EPT results. The accuracy of CAM-B3LYP is indeed transferable to similar complexes and hence the findings are expected to accelerate the progression of studies of Rydberg-type systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of the classical trajectory treatment of photon dynamics for polaritonic phenomena

Simulating photon dynamics in strong light–matter coupling situations via classical trajectories is proving to be powerful and practical. Here, in this work, we analyze the performance of the approach through the lens of the exact factorization approach. Since the exact factorization enables a rigorous definition of the potentials driving the photonic motion, it allows us to identify that the underestimation of photon number and intensities observed in earlier work is primarily due to an inadequate accounting of light–matter correlation in the classical Ehrenfest force rather than errors from treating the photons quasiclassically per se. The latter becomes problematic when the number of photons per mode begins to exceed a half.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

EUV absorption analysis of thermospheric structure from AE-satellite observations of 1974-1976

Atmospheric absorption characteristics at various selected wavelengths of solar EUV emission have been observed by spectrophotometers on the Atmosphere Explorer satellites. Two levels of results are defined as (A) results independent of any cross section values and involving no specific atmospheric model assumptions, and (B) results expressed in terms of particle concentrations, mass density, and other aeronomical parameters. The present report will mostly deal with results of type B, with emphasis on molecular oxygen. Studies of EUV-derived results in correlation with results of other simultaneous experiments on the same satellite are expected soon to improve the assessment of technique-peculiar errors, possible errors in the various EUV cross sections or accommodation coefficients, and lead to the design of a 'correlative approach' based on the use of mixed inputs of the most reliable aspects of one and the other types of observations, respectively.

Hinteregger, H. E.↗

A Three-Dimensional, Analytical Wind Turbine Wake Model: Flow Acceleration, Empirical Correlations, and Continuity

A new, three-dimensional, analytical, steady-state wake model is presented that includes local flow acceleration near the rotor, improving the wake description compared to existing models. Wake structures such as the momentum deficit and regions of accelerated flow are concisely described with compound and normal Gaussian functions. Large-eddy simulations (LES) are used as training data to develop the model using two in-line turbines under various inflow conditions parameterized by hub-height wind speed and turbulence intensity. Mass conservation is considered by fixing two components of the wake velocity model and optimizing the third to best satisfy continuity; after which, the model performs comparably if not better than existing work with regards to both relative error and mass consistency. The final model demonstrates a high degree of flexibility, making use of empirical correlations to scale across different inflow conditions. The inclusion of these effects is capable of revealing unused opportunities for enhanced power generation by aligning wake trajectories with these regions of accelerated flow.

modeling↗

Review article: therapeutic bile acids and the risks for hepatotoxicity

Summary Background Bile acids play important roles in cholesterol metabolism and signal through farnesoid X receptor and G protein‐coupled receptors. Given their importance in liver biology, bile acid therapy enables therapeutic applications beyond the treatment of cholestatic liver disease. However, predicting hepatotoxicity of bile acids in humans is obscured due to inconsistent extrapolations of animal data to humans. Aim To review the evidence that could explain discordant bile acids hepatotoxicity observed in humans and animals. Method Literature search was conducted in PubMed using keywords “bile acid,” “transporter,” “hepatotoxicity,” “clinical study,” “animal study,” “species difference,” “mechanism,” “genetic disorder.” Relevant articles were selected for review. Results Clinically significant hepatotoxicity was reported in response to certain bile acids, namely chenodeoxycholic acid, which was given a boxed warning for potential hepatotoxicity. The chemical structure, specifically the number and orientation of hydroxyl groups, significantly affects their hydrophobicity, an important factor in bile acid toxicity. Experimental studies show that hydrophobic bile acids can lead to liver injury through various mechanisms, such as death receptor signalling, mitochondrial dysfunction and inflammation. Although animal studies play a central role in investigating bile acid safety, there are considerable differences in bile acid composition, metabolism and hepatobiliary disposition across species. This does not allow appropriate safety inference, especially for predicting hepatotoxicity in humans. Exploring evidences stemming from inborn errors, genetic models of disease and toxicology studies further improves an understanding of bile acid hepatotoxicity. Conclusion Species differences should be considered in the development of bile acid related therapeutics. Although the mechanism of bile acid hepatotoxicity is still not fully understood, continued mechanistic studies will deepen our understanding.

Ashby, K.↗

Probabilistic Simulation of the Human Factor in Structural Reliability

The formal approach described herein computationally simulates the probable ranges of uncertainties for the human factor in probabilistic assessments of structural reliability. Human factors such as marital status, professional status, home life, job satisfaction, work load, and health are studied by using a multifactor interaction equation (MFIE) model to demonstrate the approach. Parametric studies in conjunction with judgment are used to select reasonable values for the participating factors (primitive variables). Subsequently performed probabilistic sensitivity studies assess the suitability of the MFIE as well as the validity of the whole approach. Results show that uncertainties range from 5 to 30 percent for the most optimistic case, assuming 100 percent for no error (perfect performance).

Chamis, Christos C.↗

Elemental Abundances of nearby M Dwarfs Based on High-resolution Near-infrared Spectra Obtained by the Subaru/IRD Survey: Proof of Concept

Detailed chemical analyses of M dwarfs are scarce but necessary to constrain the formation environment and internal structure of planets being found around them. We present elemental abundances of 13 M dwarfs (2900 < T eff < 3500 K) observed in the Subaru/IRD planet search project. They are mid- to late-M dwarfs whose abundance of individual elements has not been well studied. We use the high-resolution (∼70,000) near-infrared (970–1750 nm) spectra to measure the abundances of Na, Mg, Si, K, Ca, Ti, V, Cr, Mn, Fe, and Sr by the line-by-line analysis based on model atmospheres, with typical errors ranging from 0.2 dex for [Fe/H] to 0.3–0.4 dex for other [X/H]. We measure radial velocities from the spectra and combine them with Gaia astrometry to calculate the Galactocentric space velocities UVW . The resulting [Fe/H] values agree with previous estimates based on medium-resolution K-band spectroscopy, showing a wide distribution of metallicity (−0.6 < [Fe/H] < +0.4). The abundance ratios of individual elements [X/Fe] are generally aligned with the solar values in all targets. While the [X/Fe] distributions are comparable to those of nearby FGK stars, most of which belong to the thin-disk population, the most metal-poor object, GJ 699, could be a thick-disk star. The UVW velocities also support this. The results raise the prospect that near-infrared spectra of M dwarfs obtained in the planet search projects can be used to grasp the trend of elemental abundances and the Galactic stellar population of nearby M dwarfs.

Hiroyuki Tako Ishikawa↗

Oculometric Biomarkers of Visuomotor Deficits in Clinically Asymptomatic Patients With Systemic Lupus Erythematosus Undergoing Long-Term Hydroxychloroquine Treatment

Introduction: This study examines a set of oculomotor measurements, or “oculometric” biomarkers, as potential early indicators of visual and visuomotor deficits due to retinal toxicity in asymptomatic Systemic Lupus Erythematosus (SLE) patients on long-term hydroxychloroquine (HCQ) treatment. The aim is to identify subclinical functional impairments that are otherwise undetectable by standard clinical tests and to link them to structural retinal changes. Methods: We measured oculomotor responses in a cohort of SLE patients on chronic HCQ therapy using a previously established behavioral task and analysis technique. We also examined the relationship between oculometrics, OCT measures of retinal thickness, and standard clinical perimetry measures of visual function in our patient group using Bivariate Pearson Correlation and a Linear Mixed-Effects Model (LMM). Results: Significant visual and visuomotor deficits were found in 12 asymptomatic SLE patients on long-term HCQ therapy compared to a cohort of 17 age-matched healthy controls. Notably, six oculometrics were significantly different. The median initial pursuit acceleration was 22%, steady-state pursuit gain 16%, proportion smooth 7%, and target speed responsiveness 31% lower, while catch-up saccade amplitude was 46% and fixation error 46% larger. Excluding the two patients with diagnosed mild toxicity, four oculometrics, all but fixation error and proportion smooth, remained significantly impaired compared to controls. Across our population of 12 patients (24 retinae), we found that pursuit latency, initial acceleration, steady-state gain, and fixation error were linearly related to retinal thickness even when age was accounted for, while standard measures of clinical function (Mean Deviation and Pattern Standard Deviation) were not. Discussion: Our data show that specific oculometrics are sensitive early biomarkers of functional deficits in SLE patients on HCQ that could be harnessed to assist in the early detection of HCQ-induced retinal toxicity and other visual pathologies, potentially providing early diagnostic value beyond standard visual field and OCT evaluations.

eye movements↗

Cycles-L: A Coupled, 3-D, Land Surface, Hydrologic, and Agroecosystem Landscape Model

Managing landscapes to increase agricultural productivity and environmental stewardship can be informed by spatially-distributed models that operate at spatial and temporal scales that are intervention-relevant. This paper presents Cycles-L, a landscape-scale agroecosystem and hydrologic modeling system, using as a test case a watershed in Pennsylvania. Cycles-L emerges from melding the landscape and hydrology structure of Flux-PIHM, a 3-D land surface hydrologic model, with the agroecosystem processes in the Cycles model. Consequently, Cycles-L can simulate processes affected by topography, soil heterogeneity, and management practices, owing to its physically-based hydrology that can simulate horizontal and vertical transport of solutes with water. The model was tested at a 730-ha experimental watershed within the Mahantango Creek watershed. Cycles-L simulated well stream water and mineral nitrogen discharge (Nash-Sutcliffe coefficient 0.55 and 0.60, respectively) and grain yield (root mean square error 1.2 Mg ha -1 ). Cycles-L outputs are as good or better than those obtained with the uncoupled Flux-PIHM (water discharge) and Cycles (grain yield) models. Modeled spatial patterns of nitrogen fluxes like denitrification illustrate the combined control of crop management and topography. For example, denitrification is almost twice as high when simulated with Cycles-L than when simulated with Cycles 1-D. Due to its spatial and temporal resolution, Cycles-L fills a gap in the availability of models that operate at a scale relevant to evaluate interventions in the landscape. Cycles-L can become a central component in tools for climate change scenario analysis, precision agriculture, precision conservation, and artificial intelligence-based decision support systems.

54 ENVIRONMENTAL SCIENCES↗

Numerical simulation of controlled large space structures

Large Space Structures do not have much damping, which necessitates the installation of a controller onto the structure. If the controller is improperly designed, the structure may become unstable and be destroyed. Since Large Space Structures are extremely expensive pieces of hardware, new controllers must not be tested first on the structure. They must first be tested in computer simulations. Until now, the usual procedure for simulating controlled Large Space Structures is to compute a reduced order modal representation of the structure and then apply the controller. However, this procedure entails modal truncation error. A new software package which is free from this error is currently under development within the Center for Space Construction. The more accurate finite element representation of the structure is used in the simulation, instead of the less accurate reduced order modal representation. This software also features an efficient matrix storage scheme, which effectively deals with the asymmetric system matrices which occur when control is added to the structure. Also, an integration algorithm was chosen so that the simulation is a reliable indicator of system stability or instability. The software package is fairly general in nature. Linearity of the finite element model and of the controller is the only assumption made. Actuator dynamics, sensor dynamics, noise, and disturbances can be handled by the package. In addition, output feedback of displacement, velocity, and/or acceleration signals can be simulated. Kalman state estimation was also implemented. This software was tested on a finite element model of a real Large Space Structure: The Mini-Mast Truss. Mini-Mast is a testbed at NASA-Langley which is currently under development. A 714 degree of freedom finite element model was computed, and a 19 state controller was designed for it. Torque wheel dynamics were added to the model, and the entire closed loop system was simulated with the software package.

Quan, Ralph↗

Improved approximations of displacements for structural optimization

In most structural optimization problems the implicit behavior constraints are evaluated for successive modifications in the design. For each trial design, the analysis equations must be solved and the multiple repeated analyses usually involve extensive computational effort. This difficulty motivated several studies on explicit approximations of the structural behavior in terms of the design variables. The latter approach can considerably reduce the amount of computations, but the quality of the approximations might not be sufficient. Many of the approximate behavior models proposed in the past are valid only for relatively small changes in the design variables. The accuracy of the results is often insufficient for large changes in the design. The object of this study is to present efficient and high quality approximations of the structural behavior. It will be shown that the quality of the approximations can greatly be improved by combining scaling of the initial design, using intervening variables, and scaling a set of fictitious loads. Integrating these means, a powerful solution procedure can be introduced. In addition, the errors in satisfying the analysis equations can readily be evaluated. A numerical example illustrates the solution methodology and the effectiveness of the proposed approach.

Kirsch, Uri↗

Improving Boundary Layer Data Assimilation Using Observation Data from Multiple Observing Systems in the NASA GEOS System

The Planetary Boundary Layer (PBL) is a complex interface that mediates energy and moisture exchanges between the Earth’s surface and atmosphere. Accurate simulation and observation of PBL characteristics, such as PBL height and thermodynamic structure, have proven to be a challenge. In our latest efforts, we have focused on improving PBL thermodynamic structure using data from multiple observing systems in the Goddard Earth Observing System (GEOS), developed by the NASA Global Modeling and Assimilation Office (GMAO). We present strategies and results from assimilating PBL height data derived from radiosondes, GNSS radio occultation, space-based lidar (CALIPSO, CATS, IceSat-2), ground-based lidar (MPLNET), and radar wind profilers, including a novel global PBL height analysis dataset. We also discuss the impacts of better representing capping inversions by using PBL height data together with other observations in GEOS through adjustments to the background error covariance. Long-term statistics of the impact of assimilating and utilizing PBL height data in GEOS are presented. In addition, we explore an innovative approach to assimilate GNSS-RO refractivity data in the lower troposphere.

Eun-Gyeong Yang↗

Generalization Equations for Machine Learners Based on Physical and Abstract Laws

The physical and abstract laws derived from the first principles have been recently exploited to customize and sharpen machine learning (ML) methods and also derive their generalization equations. These laws often encapsulate knowledge that complements datasets and ML models. We present a generic framework that uses these laws to provide ML codes that are transferable across multiple areas, including data transport infrastructures and thermal hydraulics analytics of nuclear reactors. By anchoring on datasets from these areas and the statistical generalization theory, we present a rigorous approach to co-develop ML solutions and the generalization equations that characterize them, by exploiting the structure and constraints from the laws. We present illustrative examples using practical problems from existing literature on the performance characterization of data transport infrastructures, and the sensor error and power level estimation in nuclear reactor systems using sensor measurements of primary and secondary coolant systems, respectively.

Rao, Nageswara↗

Covalency competition dominates the water oxidation structure–activity relationship on spinel oxides

Spinel oxides have attracted growing interest over the years for catalysing the oxygen evolution reaction (OER) due to their efficiency and cost-effectiveness, but fundamental understanding of their structure–property relationships remains elusive. Here we demonstrate that the OER activity on spinel oxides is intrinsically dominated by the covalency competition between tetrahedral and octahedral sites. The competition fabricates an asymmetric M$_T-O-M_O$ backbone where the bond with weaker metal–oxygen covalency determines the exposure of cation sites and therefore the activity. Driven by this finding, a dataset with more than 300 spinel oxides is computed and used to train a machine-learning model for screening the covalency competition in spinel oxides, with a mean absolute error of 0.05 eV. [Mn]$_T$[Al$_{0.5}$Mn$_{1.5}$]OO$_4$ is predicted to be a highly active OER catalyst and subsequent experimental results confirm its superior activity. This work sets mechanistic principles of spinel oxides for water oxidation, which may be extendable to other applications.

36 MATERIALS SCIENCE↗

Rotated-Droop Control for Enhanced Stability and Power Decoupling in Microgrids With Complex Line Impedances

Classical droop control in microgrids predominantly assumes inductive line impedance, which simplifies implementation but causes power coupling and steady-state errors in systems with resistive and inductive lines. This paper proposes a rotated-droop control strategy for grid-forming inverters that reformulates the power equations by incorporating the magnitude and angle of the line impedance within a rotated reference frame. This method enhances the decoupling of active and reactive power dynamics without increasing complexity or requiring communication links. A small-signal state-space model was created to capture the dynamic behavior of the system under varying impedance parameters, preserving the original droop gains by rotating the power control structure. This allows eigenvalue-based stability analysis and enhances damping and transient performance. Simulation and experimental results validated the improved power-sharing performance, faster response, and robustness of the proposed method under different impedance conditions. This approach maintains the decentralized structure of the conventional droop control while enabling greater adaptability and scalability, making it suitable for modern inverter-based microgrids with dynamic topologies.

Campo-Ossa, Daniel Dario [Univ. of Puerto Rico, Ag↗

Representation of U.S. Warm Temperature Extremes in Global Climate Model Ensembles

Extreme temperature events can have considerable negative impacts on sectors such as health, agriculture, and transportation. Observational evidence indicates the severity and frequency of warm extremes are increasing over much of the United States, but there are sizeable challenges both in estimating extreme temperature changes and in quantifying the relevant associated uncertainties. This study provides a simple statistical framework using a block maxima approach to analyze the representation of warm temperature extremes in several recent global climate model ensembles. Uncertainties due to structural model differences, grid resolution, and internal variability are characterized and discussed. Results show that models and ensembles differ greatly in the representation of extreme temperature over the United States, and variability in tail events is dependent on time and anthropogenic warming, which can influence estimates of return periods and distribution parameter estimates using generalized extreme value (GEV) distributions. These effects can considerably influence the uncertainty of model hindcasts and projections of extremes. Several idealized regional applications are highlighted for evaluating ensemble skill and trends, based on quantile analysis and root-mean-square errors in the overall sample and the upper tail. The results are relevant to regional climate assessments that use global model outputs and that are sensitive to extreme warm temperature. Accompanying this manuscript is a simple toolkit using the R statistical programming language for characterizing extreme events in gridded datasets.

54 ENVIRONMENTAL SCIENCES↗