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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Nonperturbatively renormalized nucleon gluon momentum fraction in the continuum limit of N f = 2 + 1 + 1 lattice QCD

We present the nonperturbatively renormalized nucleon gluon momentum fraction using ensembles with 2+1+1 flavors of highly improved staggered quarks (HISQ), generated by the MILC Collaboration. The calculation is done using clover fermions for the valence action with three pion masses, 220, 310, and 690 MeV, and three lattice spacings, 0.09, 0.12, and 0.15 fm. The renormalization is done using RI/MOM nonperturbative renormalization and using cluster-decomposition error reduction (CDER) to enhance the signal-to-noise ratio of the renormalization constant. We find the CDER technique is particularly important to improve the signal at the finer lattice ensembles where the lattice volume is larger. We extrapolate the gluon momentum fraction to the continuum-physical limit and obtain $\langle{x}\rangle$ g = 0.502⁢(53) stat+NPR ⁢(50) mixing in the $\overline{MS}$ scheme at 2 GeV, where first error includes the statistical error and uncertainties in nonperturbative renormalization, while the latter systematic error accounts for ignoring quark mixing. Our gluon momentum fraction is consistent with other recent lattice-QCD results at physical pion mass.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Existing evidence on the effects of climate variability and climate change on ungulates in North America: a systematic map

Abstract Background Climate is an important driver of ungulate life-histories, population dynamics, and migratory behaviors. Climate conditions can directly impact ungulates via changes in the costs of thermoregulation and locomotion, or indirectly, via changes in habitat and forage availability, predation, and species interactions. Many studies have documented the effects of climate variability and climate change on North America’s ungulates, recording impacts to population demographics, physiology, foraging behavior, migratory patterns, and more. However, ungulate responses are not uniform and vary by species and geography. Here, we present a systematic map describing the abundance and distribution of evidence on the effects of climate variability and climate change on native ungulates in North America. Methods We searched for all evidence documenting or projecting how climate variability and climate change affect the 15 ungulate species native to the U.S., Canada, Mexico, and Greenland. We searched Web of Science, Scopus, and the websites of 62 wildlife management agencies to identify relevant academic and grey literature. We screened English-language documents for inclusion at both the title and abstract and full-text levels. Data from all articles that passed full-text review were extracted and coded in a database. We identified knowledge clusters and gaps related to the species, locations, climate variables, and outcome variables measured in the literature. Review findings We identified a total of 674 relevant articles published from 1947 until September 2020. Caribou ( Rangifer tarandus ), elk ( Cervus canadensis ), and white-tailed deer ( Odocoileus virginianus ) were the most frequently studied species. Geographically, more research has been conducted in the western U.S. and western Canada, though a notable concentration of research is also located in the Great Lakes region. Nearly 75% more articles examined the effects of precipitation on ungulates compared to temperature, with variables related to snow being the most commonly measured climate variables. Most studies examined the effects of climate on ungulate population demographics, habitat and forage, and physiology and condition, with far fewer examining the effects on disturbances, migratory behavior, and seasonal range and corridor habitat. Conclusions The effects of climate change, and its interactions with stressors such as land-use change, predation, and disease, is of increasing concern to wildlife managers. With its broad scope, this systematic map can help ungulate managers identify relevant climate impacts and prepare for future changes to the populations they manage. Decisions regarding population control measures, supplemental feeding, translocation, and the application of habitat treatments are just some of the management decisions that can be informed by an improved understanding of climate impacts. This systematic map also identified several gaps in the literature that would benefit from additional research, including climate effects on ungulate migratory patterns, on species that are relatively understudied yet known to be sensitive to changes in climate, such as pronghorn ( Antilocapra americana ) and mountain goats ( Oreamnos americanus ), and on ungulates in the eastern U.S. and Mexico.

Malpeli, Katherine C. (ORCID:000000030780918X)↗
DOE OSTI2026

Probing the Coherence of Metal Absorbers toward Background Quasar Pairs

Abstract We investigate the spatial coherence of metal absorption lines in the circumgalactic medium using 4115 quasar pairs from Sloan Digital Sky Survey DR16. We identify 184 Mg ii (15 with dual detections) and 50 C iv (11 with dual detections) absorber pairs. The fraction of pairs with fractional equivalent width difference δW r ≤ 0.5 declines with projected separation: for Mg ii , it drops from ∼52% at 0–25 kpc to ∼7% at 100–200 kpc, while for C iv , it decreases from ∼100% to ∼21% over 0–200 kpc. In every separation bin, C iv absorbers with δW r ≤ 0.5 maintain a higher fraction than Mg ii absorbers. Similar results are obtained when the nondetections are treated as 2 σ W r upper limits in a survival analysis. The transverse autocorrelation function shows strong Mg ii clustering within 0–25 kpc, whereas the C iv excess remains relatively flat out to ∼100 kpc. These findings suggest that high-ionization C iv gas retains coherence over larger transverse scales than low-ionization Mg ii gas, in agreement with previous lensed quasar and high-resolution studies.

Li, Jing [Guangxi University] (ORCID:0009000148751↗
NASA NTRS1976

Functional and anatomical characteristics of the nerve-brown adipose interaction in the rat

Experiments were conducted on 12 male rats to study the coupling of signals from the sympathetic nervous system to the brown adipose tissue. Analysis of electron photomicrographs revealed considerable morphological heterogeneity among the nerves entering and leaving the interscapular fat pad. In response to electrical simulation of the nerves, the temperature of the brown fat increased following a rapid but transient temperature drop. Such changes were observed only on the ipsilateral side, indicating that the innervation to the interscapular brown fat of the rat is functionally bilateral rather than diffuse. The finding that brown fat is capable of responding in a graded fashion correlates well with observations suggesting that clusters of brown adipocytes may be electrically coupled.

Flaim, K. E.↗
NASA NTRS1984

Gravity receptors - An ultrastructural basis for peripheral sensory processing

The present ultrastructural study of serial sections has shown that type II hair cells of the anterior part of the utricular macula are integrated into the afferent neural circuitry of type I cells, which are arranged in clusters. Additionally, there exists a complex system of intramacularly originating efferent-type nerve fibers and terminals. The findings, taken together, suggest that on morphological grounds, complex processing of sensory information occurs in gravity receptors. Asymmetry of such a complex system may contribute to motion and space-motion sickness.

Ross, M. D.↗
NASA NTRS1995

Characterization of the Minimum Energy Paths and Energetics for the Reaction of Vinylidene with Acetylene

The reaction of vinylidene (CH2C) with acetylene may be an initiating reaction in soot formation. We report minimum energy paths and accurate energetics for a pathway leading to vinyl-acetylene and for a number of isomers of C4H4. The calculations use complete active space self-consistent field (CASSCF) derivative methods to characterize the stationary points and internally contacted configuration interaction (ICCI) and/or coupled cluster singles and doubles with a perturbational estimate of triple excitations (CCSD(T)) to determine the energetics. We find an entrance channel barrier of about 5 kcal/mol for the addition of vinylidene to acetylene, but no barriers above reactants for the reaction pathway leading to vinyl-acetylene.

Walch, Stephen P.↗
NASA NTRS1995

Characterization of the Minimum Energy Paths and Energetics for the reaction of Vinylidene with Acetylene

The reaction of vinylidene (CH2C) with acetylene may be an initiating reaction in soot formation. We report minimum energy paths and accurate energetics for a pathway leading to vinylacetylene and for a number of isomers Of C4H4. The calculations use complete active space self-consistent field (CASSCF) derivative methods to characterize the stationary points and internally contacted configuration interaction (ICCI) and/or coupled cluster singles and doubles with a perturbational estimate of triple excitations (CCSD(T)) to determine the energetics. We find an entrance channel barrier of about 5 kcal/mol for the addition of vinylidene to acetylene, but no barriers above reactants for the reaction pathway leading to vinylacetylene.

Walch, Stephen P.↗
NASA NTRS2008

Recent Insights into the Nature of Turbulence in the Solar Wind

During the past several years, studies of solar wind turbulence using data from Cluster and other spacecraft, and results from new numerical simulations, have revealed new aspects of solar wind turbulence. I will try to highlight some of that research. At the shortest length scales and highest frequencies, there is renewed interest in determining how the turbulence dissipates, e.g., whether by kinetic Alfven waves or whistler turbulence. Finding observational evidence for exponential damping of solar wind fluctuations has proven challenging. New studies using a combination of flux gate and search coil magnetometer data from Cluster have extended this search (in the spacecraft frame of reference) to more than 10 Hertz. New models and simulations are also being used to study the dissipation. A detailed study of fluctuations in the magnetosheath suggests that turbulent dissipation could be occurring at very thin current sheets as had been suggested by two-dimensional MHD simulations more than 20 years ago. Data from the four Cluster spacecraft, now at their maximum separation of 10,000 km provide new opportunities to investigate the symmetry properties, scale lengths, and the relative proportion of magnetic energy in parallel and perpendicular wave numbers of solar wind turbulence. By utilizing well-calibrated electron data, it has been possible to take advantage of the tetrahedral separation of Cluster in the solar wind near apogee to measure directly the compressibility and vorticity of the solar wind plasma.

Goldstein, Melvun L.↗
NASA NTRS2017

Evidence for Surface Water Ice in the Lunar Polar Regions Using Reflectance Measurements from the Lunar Orbiter Laser Altimeter and Temperature Measurements from the Diviner Lunar Radiometer Experiment

We find that the reflectance of the lunar surface within 5 deg of latitude of theSouth Pole increases rapidly with decreasing temperature, near approximately 110K, behavior consistent with the presence of surface water ice. The North polar region does not show this behavior, nor do South polar surfaces at latitudes more than 5 deg from the pole. This South pole reflectance anomaly persists when analysis is limited to surfaces with slopes less than 10 deg to eliminate false detection due to the brightening effect of mass wasting, and also when the very bright south polar crater Shackleton is excluded from the analysis. We also find that south polar regions of permanent shadow that have been reported to be generally brighter at 1064 nm do not show anomalous reflectance when their annual maximum surface temperatures are too high to preserve water ice. This distinction is not observed at the North Pole. The reflectance excursion on surfaces with maximum temperatures below 110K is superimposed on a general trend of increasing reflectance with decreasing maximum temperature that is present throughout the polar regions in the north and south; we attribute this trend to a temperature or illumination-dependent space weathering effect (e.g. Hemingway et al. 2015). We also find a sudden increase in reflectance with decreasing temperature superimposed on the general trend at 200K and possibly at 300K. This may indicate the presence of other volatiles such as sulfur or organics. We identified and mapped surfaces with reflectances so high as to be unlikely to be part of an ice-free population. In this south we find a similar distribution found by Hayne et al. 2015 based on UV properties. In the north a cluster of pixels near that pole may represent a limited frost exposure.

Emily A Fisher↗
DOE OSTI2020

The clustering of DESI-like luminous red galaxies using photometric redshifts

ABSTRACT We present measurements of the redshift-dependent clustering of a DESI-like luminous red galaxy (LRG) sample selected from the Legacy Survey imaging data set, and use the halo occupation distribution (HOD) framework to fit the clustering signal. The photometric LRG sample in this study contains 2.7 million objects over the redshift range of 0.4 < z < 0.9 over 5655 deg2. We have developed new photometric redshift (photo-z) estimates using the Legacy Survey DECam and WISE photometry, with σNMAD = 0.02 precision for LRGs. We compute the projected correlation function using new methods that maximize signal-to-noise ratio while incorporating redshift uncertainties. We present a novel algorithm for dividing irregular survey geometries into equal-area patches for jackknife resampling. For a five-parameter HOD model fit using the MultiDark halo catalogue, we find that there is little evolution in HOD parameters except at the highest redshifts. The inferred large-scale structure bias is largely consistent with constant clustering amplitude over time. In an appendix, we explore limitations of Markov chain Monte Carlo fitting using stochastic likelihood estimates resulting from applying HOD methods to N-body catalogues, and present a new technique for finding best-fitting parameters in this situation. Accompanying this paper, we have released the Photometric Redshifts for the Legacy Surveys catalogue of photo-z’s obtained by applying the methods used in this work to the full Legacy Survey Data Release 8 data set. This catalogue provides accurate photometric redshifts for objects with z < 21 over more than 16 000 deg2 of sky.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Learning nuclear cross sections across the chart of nuclides with graph neural networks

We explore the use of deep learning techniques to learn how nuclear cross sections change as we add or remove protons and neutrons. As a proof of principle, we focus on the neutron-induced reactions in the fast energy regime. Our approach follows a two-stage learning framework. First, we apply representation learning to encode cross section data into a latent space using either variational autoencoders (VAEs) or implicit neural representations (INRs). Then, we train graph neural networks (GNNs) on the resulting embeddings to predict missing values across the nuclear chart by leveraging the topological structure of neighboring isotopes. We demonstrate accurate cross section predictions within a 9 × 9 block of missing nuclei. We also find that the optimal GNN training strategy depends on the type of latent representation used, with VAE embeddings performing best under end-to-end optimization in the original space, while INR embeddings achieve better results when the GNN is trained only in the latent space. Furthermore, using clustering algorithms, we map groups of latent vectors into regions of the nuclear chart and show that VAEs and INRs can discover some of the neutron magic numbers. These findings suggest that deep-learning models based on the representation encoding of cross sections combined with graph neural networks hold significant potential in augmenting nuclear theory models, e.g., by providing reliable estimates of covariances of cross sections, including cross-material covariances.

Machine learning↗
DOE OSTI2025

Optical galaxy cluster mock catalogs with realistic projection effects: Validations with the SDSS clusters

Galaxy clusters identified in optical imaging surveys suffer from projection effects: Physically unassociated galaxies along a cluster’s line of sight can be counted as its members and boost the observed richness (the number of cluster members). To model the impact of projection on cluster cosmology analyses, we apply a halo occupation distribution model to 𝑁-body simulations to simulate the red galaxies contributing to cluster members, and we use the number of galaxies in a cylinder along the line of sight (counts in cylinders) to model the impact of projection on cluster richness. We compare three projection models: uniform, quadratic, and Gaussian, and we convert between them by matching their effective cylinder volumes. We validate our mock catalogs using SDSS redMaPPer clusters’ data vectors, including counts vs richness, stacked lensing signal, spectroscopic redshift distribution of member galaxies, and richness remeasured on a redshift grid. We find the former two are insensitive to the projection model, while the latter two favor a quadratic projection model with a width of ≈180 ℎ −1 Mpc (equivalent to the volume of a uniform model with a width of 100 ℎ −1 Mpc and a Gaussian model with a width of 110 ℎ −1 Mpc, or a Gaussian redshift error of 0.04). Furthermore, our framework provides an efficient and flexible way to model optical cluster data vectors, paving the way for a simulation-based joint analysis for clusters, galaxies, and shear.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Competitive Adsorption of NH 3 and H 2 O in Metal–Organic Framework Materials: MOF-74

Elucidating the interaction between coadsorbed H 2 O and NH 3 in metal–organic frameworks (MOFs) is of paramount importance to uncover mechanistic details of their competitive coadsorption behavior as well as to guide the design of new materials for enhanced NH 3 adsorption in humid environments. Nevertheless, molecular competition between NH 3 and H 2 O within the confined nanopores of MOFs was rarely explored and is poorly understood due to challenges in characterization. Here, we combine in situ infrared spectroscopy with ab initio calculations to unveil the competition of NH 3 and H 2 O for occupying active adsorption sites in the representative MOF-74 material by analyzing the kinetics and energetics of the molecular exchange process. We find that at a high NH 3 /H 2 O ratio, the incoming NH 3 is capable of displacing metal-bound H 2 O and moving it to secondary adsorption sites due to the stronger binding of NH 3 compared with H 2 O. Interestingly, the reverse process of H 2 O displacing metal-bound NH 3 is also possible upon increasing water concentration. Our calculations show that H 2 O exchanging the preabsorbed NH 3 at the metal site is driven not only by a reduced kinetic barrier but also by a favorable energetical state resulting from the formation of water clusters at metal sites and intermolecular H-bonding between the metal-coordinated H 2 O and displaced NH 3 . Our finding emphasizes that the description of molecular occupation in MOFs at equilibrium cannot simply be established by comparing molecules’ binding energies at their strongest binding sites derived by single-component measurements; rather, intermolecular interactions can greatly affect molecular distribution at equilibrium. Furthermore, we show that vibrational modes of adsorbed NH 3 are markedly perturbed upon contact with water molecules, accompanied by a large frequency shift (>30 cm –1 ) and considerable intensity decrease, which arises from the freezing of NH 3 vibrations by coadsorbed H 2 O. As a result, the mechanistic insight obtained through our study sheds light on molecular coadsorption processes in MOFs and helps to assess NH 3 removal efficiency of MOFs containing open-metal sites under realistic conditions, particularly in the presence of humidity.

36 MATERIALS SCIENCE↗
NASA NTRS1993

The dynamics of Abell 2634

We have amassed a large sample of velocity data for the cluster of galaxies Abell 2634 which contains the wide-angle tail (WAT) radio source 3C 465. Robust indicators of location and scale and their confidence intervals are used to determine if the cD galaxy, containing the WAT, has a significant peculiar motion. We find a cD peculiar radial velocity of 219 plus or minus 98 km s(exp -1). Further dynamical analyses, including substructure and normality tests, suggest that A 2634 is an unrelaxed cluster whose radio source structure may be bent by the turbulent gas of a recent cluster-subcluster merger.

Pinkney, J.↗
DOE OSTI2025

Electronic effects in radiation-induced collision cascades in nickel

The accurate treatment of electronic effects in multi-million-atom simulations of radiation-induced collision cascades is crucial for reliable predictions of primary radiation damage. In this work, we explore the fidelity of a recently developed two-temperature molecular dynamics model implementing an electron density-dependent coupling of electronic and atomic subsystems for cascade simulations in nickel. We show that the parameter-free model realistically captures the instantaneous energy losses during all stages of the highly nonequilibrium cascade process. Our simulations predict two distinct coupling regimes, corresponding to the rapid energy losses through electronic stopping in the early stages of the cascade and to the slow equilibration through the electron-phonon coupling mechanism in the later stages, without the use of separate models or coupling terms. The intermediate stage of the cascade dynamics displays a complex energy transfer between the subsystems, which cannot be interpreted by comparison to either electronic stopping or electron-phonon coupling theories. We therefore compare the predicted atomic mixing, which is sensitive to the energy losses during the intermediate cascade stage, with experimental ion beam mixing measurements. We find good agreement with the experiments, validating the coupling model for the intermediate stage of the cascade. Predictions of final defect numbers and cluster sizes are found in line with the results from conventional electronic stopping-based methods, while significantly reducing the theoretical uncertainty in the outcomes of conventional models stemming from arbitrary choices of thresholds for different coupling terms. Our results represent a notable improvement in cascade damage predictions in nickel, providing validation of the electron density-dependent coupling model for radiation damage simulations in general. The results lead us to propose an interpretation of the electronic energy losses in the intermediate regime of velocities, where we find an effectively nonlinear dissipation.

Crystal defects↗
NASA NTRS1995

The coupling of fluids, dynamics, and controls on advanced architecture computers

This grant provided for the demonstration of coupled controls, body dynamics, and fluids computations in a workstation cluster environment; and an investigation of the impact of peer-peer communication on flow solver performance and robustness. The findings of these investigations were documented in the conference articles.The attached publication, 'Towards Distributed Fluids/Controls Simulations', documents the solution and scaling of the coupled Navier-Stokes, Euler rigid-body dynamics, and state feedback control equations for a two-dimensional canard-wing. The poor scaling shown was due to serialized grid connectivity computation and Ethernet bandwidth limits. The scaling of a peer-to-peer communication flow code on an IBM SP-2 was also shown. The scaling of the code on the switched fabric-linked nodes was good, with a 2.4 percent loss due to communication of intergrid boundary point information. The code performance on 30 worker nodes was 1.7 (mu)s/point/iteration, or a factor of three over a Cray C-90 head. The attached paper, 'Nonlinear Fluid Computations in a Distributed Environment', documents the effect of several computational rate enhancing methods on convergence. For the cases shown, the highest throughput was achieved using boundary updates at each step, with the manager process performing communication tasks only. Constrained domain decomposition of the implicit fluid equations did not degrade the convergence rate or final solution. The scaling of a coupled body/fluid dynamics problem on an Ethernet-linked cluster was also shown.

Atwood, Christopher↗
NASA NTRS2016

The Atacama Cosmology Telescope: Dynamical Masses for 44 SZ-Selected Galaxy Clusters over 755 Square Degrees

We present galaxy velocity dispersions and dynamical mass estimates for 44 galaxy clusters selected via the Sunyaev-Zeldovich (SZ) effect by the Atacama Cosmology Telescope. Dynamical masses for 18 clusters are reported here for the first time. Using N-body simulations, we model the different observing strategies used to measure the velocity dispersions and account for systematic effects resulting from these strategies. We find that the galaxy velocity distributions may be treated as isotropic, and that an aperture correction of up to 7 per cent in the velocity dispersion is required if the spectroscopic galaxy sample is sufficiently concentrated towards the cluster centre. Accounting for the radial profile of the velocity dispersion in simulations enables consistent dynamical mass estimates regardless of the observing strategy. Cluster masses M200 are in the range (1 - 15) times 10 (sup 14) Solar Masses. Comparing with masses estimated from the SZ distortion assuming a gas pressure profile derived from X-ray observations gives a mean SZ-to-dynamical mass ratio of 1:10 plus or minus 0:13, but there is an additional 0.14 systematic uncertainty due to the unknown velocity bias; the statistical uncertainty is dominated by the scatter in the mass-velocity dispersion scaling relation. This ratio is consistent with previous determinations at these mass scales.

Sunyaev-Zeldovich (SZ)↗
DOE OSTI2023

Generalized spin σ -SCF method

We introduce a generalization of the σ-SCF method to approximate noncollinear spin ground and excited single-reference electronic states by minimizing the Hamiltonian variance. The new method is based on the σ-SCF method, originally proposed by Ye et al. [J. Chem. Phys. 147, 214104 (2017)], and provides a prescription to determine ground and excited noncollinear spin states on an equal footing. Our implementation was carried out utilizing an initial simulated annealing stage followed by a mean-field iterative self-consistent approach to simplify the cumbersome search introduced by generalizing the spin degrees of freedom. The simulated annealing stage ensures a broad exploration of the Hilbert space spanned by the generalized spin single-reference states with random complex element-wise rotations of the generalized density matrix elements in the simulated annealing stage. The mean-field iterative self-consistent stage employs an effective Fockian derived from the variance, which is utilized to converge tightly to the solutions. This process helps us to easily find complex spin structures, avoiding manipulating the initial guess. As proof-of-concept tests, we present results for Hn (n = 3–7) planar rings and polyhedral clusters with geometrical spin frustration. We show that most of these systems have noncollinear spin excited states that can be interpreted in terms of geometric spin frustration. These states are not directly targeted by energy minimization methods, which are meant to converge to the ground state. This stresses the capability of the σ-SCF methodology to find approximate noncollinear spin structures as mean-field excited states.

Chemistry↗