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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Cascade Model for Planetesimal Formation by Turbulent Clustering.

We use a newly developed cascade model of turbulent concentration of particles in protoplanetary nebulae to calculate several properties of interest to the formation of primitive planetesimals and to the meteorite record. The model follows, and corrects, calculations of the primary planetesimal Initial Mass Function (IMF) by Cuzzi et al. (2010), in which an incorrect cascade model was used. Here we use the model of Hartlep et al. (2017), which has been validated against several published numerical simulations of particle concentration in turbulence. We find that, for a range of nebula and particle properties, planetesimals may be “born big”, formed as sandpiles with diameters in the 10 − 100 km range, directly from freely floating particles. The IMFs have a modal nature, with a well-defined peak rather than a powerlaw size dependence. Predictions for the inner and outer nebula behave similarly in these regards, and observations of inner and outer nebula primitive bodies support such modal IMFs. Also, we present predictions of local particle concentrations on several lengthscales in which particles “commonly” find themselves, which have significance for meteoritical observations of the redox state and isotopic fractionation in regions of chondrule formation. An important difference between these results, and those of Cuzzi et al. (2010), is that particle growth-by-sticking must proceed to at least the 1−few cm radius range for the IMF and meteoritical properties to be most plausibly satisfied. That is, as far as the inner nebula goes, the predominant “particles” must be aggregates of chondrules (or chondrule-size precursors) rather than individual chondrules themselves.

Thomas Hartlep↗
NASA NTRS2020

Cascade Model for Planetesimal Formation by Turbulent Clustering

We use a newly developed cascade model of turbulent concentration of particles in protoplanetary nebulae to calculate several properties of interest to the formation of primitive planetesimals and to the meteorite record. The model follows, and corrects, calculations of the primary planetesimal Initial Mass Function (IMF) by Cuzzi et al. (2010), in which an incorrect cascade model was used. Here we use the model of Hartlep et al. (2017), which has been validated against several published numerical simulations of particle concentration in turbulence. We find that, for a range of nebula and particle properties, planetesimals may be “born big," formed as sandpiles with diameters in the 10 - 100km range, directly from freely floating particles. The IMFs have a modal nature, with a well-defined peak rather than a powerlaw size dependence. Predictions for the inner and outer nebula behave similarly in these regards, and observations of inner and outer nebula primitive bodies support such modal IMFs. Also, we present predictions of local particle concentrations on several lengthscales in which particles “commonly" find themselves, which have significance for meteoritical observations of the redox state and isotopic fractionation in regions of chondrule formation. An important difference between these results, and those of Cuzzi et al. (2010), is that particle growth-by-sticking must proceed to at least the 1-few cm radius range for the IMF and meteoritical properties to be most plausibly satisfied. That is, as far as the inner nebula goes, the predominant “particles" must be aggregates of chondrules (or chondrule-size precursors) rather than individual chondrules themselves.

Planetesimals↗
DOE OSTI2021

A clustering-based approach to ocean model–data comparison around Antarctica

The Antarctic Continental Shelf seas (ACSS) are a critical, rapidly changing element of the Earth system. Analyses of global-scale general circulation model (GCM) simulations, including those available through the Coupled Model Intercomparison Project, Phase 6 (CMIP6), can help reveal the origins of observed changes and predict the future evolution of the ACSS. However, an evaluation of ACSS hydrography in GCMs is vital: previous CMIP ensembles exhibit substantial mean-state biases (reflecting, for example, misplaced water masses) with a wide inter-model spread. Because the ACSS are also a sparely sampled region, grid-point-based model assessments are of limited value. Our goal is to demonstrate the utility of clustering tools for identifying hydrographic regimes that are common to different source fields (model or data), while allowing for biases in other metrics (e.g., water mass core properties) and shifts in region boundaries. We apply K-means clustering to hydrographic metrics based on the stratification from one GCM (Community Earth System Model version 2; CESM2) and one observation-based product (World Ocean Atlas 2018; WOA), focusing on the Amundsen, Bellingshausen and Ross seas. When applied to WOA temperature and salinity profiles, clustering identifies “primary” and “mixed” regimes that have physically interpretable bases. For example, meltwater-freshened coastal currents in the Amundsen Sea and a region of high-salinity shelf water formation in the southwestern Ross Sea emerge naturally from the algorithm. Both regions also exhibit clearly differentiated inner- and outer-shelf regimes. The same analysis applied to CESM2 demonstrates that, although mean-state model biases in water mass T–S characteristics can be substantial, using a clustering approach highlights that the relative differences between regimes and the locations where each regime dominates are well represented in the model. CESM2 is generally fresher and warmer than WOA and has a limited fresh-water-enriched coastal regimes. Given the sparsity of observations of the ACSS, this technique is a promising tool for the evaluation of a larger model ensemble (e.g., CMIP6) on a circum-Antarctic basis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Laboratory Studies of the Role of Amines in Particle Formation, Growth and Climate

Organosulfur compounds have a variety of sources, particularly biological processes in the oceans. Their oxidation in air forms sulfur dioxide, which is further oxidized to sulfuric acid, as well as methanesulfonic acid (MSA). While sulfuric acid is a well known precursor to particles in air, MSA had not been regarded as a source of new particle formation. Laboratory studies were carried out under this project that showed MSA forms new particles quite efficiently in the presence of amines and water vapor. The data could be reproduced with a relatively simple kinetics model representing cluster formation and growth, which is promising for representing this chemistry in global climate models. The initial steps in the kinetics scheme are based on quantum chemical calculations of likely clusters. The organosulfur chemistry was introduced into an atmospheric model for southern California and used to predict the impact of going to a fossil-fuel free world in which anthropogenic emissions of SO 2 are removed, but the natural processes remain.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Summary of Development for Structural Component Modeling in Fiscal Year 2022

This report summarizes efforts performed during Fiscal Year 2022 to develop capabilities for modeling structural component degradation in support of the U.S. Department of Energy's Nuclear Energy Advanced Modeling and Simulation Program. These efforts were centered around development of capabilities for the Grizzly code. Efforts focused both on foundational engineering-scale analysis capabilities for damage and shell formulations and on material-scale tools for accounting for irradiation effects in Grade 91 steel. A major outcome of this effort was the development of a general-purpose tool for nonlocal averaging of material properties, which enabled nonlocal damage models. In addition, the applicability of the shell elements in MOOSE has been expanded to allow modeling a wider range of component geometries and using a wide variety of material models. For irradiation effects on materials, a previously developed cluster dynamics model for light water reactor pressure vessel steels has been adapted for application to Grade 91 alloy. This work builds on prior efforts to build a flexible, capable code for addressing a variety of aging and component performance issues in nuclear power plant structural components.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Situational Awareness of Network System Roles (SANSR)

In a large enterprise it is difficult for cyber security analysts to know what services and roles every machine on the network is performing (e.g. file server, domain name server, email server). Understanding the roles of the systems in the network provides analysts with a situational awareness that will allow them to detect consequential changes in the network, initiate an incident response plan, and optimize their security posture. Using the network flow data, already collected by most enterprises, we developed a tool that enables analysts to automatically detect/classify services and roles of every machine that’s operating on a network (e.g. file server, domain name server, email server) for better situational awareness of potential threats to the network. his tool queries Elasticsearch for network flow data, creates a temporal behavior model of each system, uses unsupervised machine learning to cluster the models with a set of labeled temporal behavior models, and the resulting information can be printed to the console or programmatically accessed. The results include the likelihood that a machine has a labeled role and lists other machines that are most similar in behavior.

Huffer, KellyM.↗
NASA NTRS1978

Some problems with the interpretation of recent microwave background observations in the direction of galaxy clusters, or, beware of negative antenna temperatures

Recently reported observations of the 3-K microwave background in the direction of rich clusters of galaxies should be viewed as placing stringent limits on the mass of cooler ionized gas within the clusters, rather than as a verification of thermal bremsstrahlung models for cluster X-ray sources. At the high radio frequencies employed in the observations, there is a positive contribution to the observed source-brightness distributions from free-free emission by any cooler gas. This can overwhelm the anticipated inverse Compton diminution of the background radiation, even when the total mass in cooler gas is significantly less than the mass of hot plasma required to explain the X-ray source. Future experiments of this type should be conducted only when atmospheric stability is sufficient to permit lengthy drift scans across the clusters. Extreme care must be taken to remove the contributions from any discrete sources.

Tarter, j. C.↗
DOE OSTI2018

RELICS: A Strong Lens Model for SPT-CLJ0615–5746, a z = 0.972 Cluster

In this work, we present a lens model for the cluster SPT-CLJ0615-5746, which is the highest-redshift ( z = 0.972) system in the Reionization of Lensing Clusters Survey, making it the highest-redshift cluster for which a full, strong lens model is published. We identify three systems of multiply imaged lensed galaxies, two of which we spectroscopically confirm at z = 1.358 and z = 4.013, which we use as constraints for the model. We find a foreground structure at z ~ 0.4, which we include as a second cluster-sized halo in one of our models; however, two different statistical tests find the best-fit model consists of one cluster-sized halo combined with three individually optimized galaxy-sized halos, as well as contributions from the cluster galaxies themselves. We find the total projected mass density within r = 26 7 (the region where the strong lensing constraints exist) to be M ⊙ . If we extrapolate out to r 500 , our projected mass density is consistent with the mass inferred from weak lensing and from the Sunyaev–Zel'dovich effect ( M ~ 10 15 M ⊙ ). This cluster is lensing a previously reported z ~ 10 galaxy, which, if spectroscopically confirmed, will be the highest-redshift strongly lensed galaxy known.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

The effect of clulstering of galaxies on the statistics of gravitational lenses

It is examined whether clustering of galaxies can significantly alter the statistical properties of gravitational lenses? Only models of clustering that resemble the observed distribution of galaxies in the properties of the two-point correlation function are considered. Monte-Carlo simulations of the imaging process are described. It is found that the effect of clustering is too small to be significant, unless the mass of the deflectors is so large that gravitational lenses become common occurrences. A special model is described which was concocted to optimize the effect of clustering on gravitational lensing but still resemble the observed distribution of galaxies; even this simulation did not satisfactorily produce large numbers of wide-angle lenses.

Anderson, N.↗
DOE OSTI2014

Modeling of irradiation hardening of iron after low–dose and low–temperature neutron irradiation

Irradiation hardening is a prominent low-temperature degradation phenomena in materials, and is characterized both by an irradiation-induced increase in yield strength along with the loss of ductility. In this paper, a reaction–diffusion cluster dynamics model is used to predict the distribution of vacancy and interstitial clusters in iron following low-temperature (<373 K) and low-dose (<0.1 dpa) neutron irradiation. The predicted microstructure evolutions of high-purity iron samples are compared to published experimental data (positron annihilation spectroscopy and transmission electron microscopy) and show good agreement for neutron irradiation in this regime. The defect cluster distributions are then coupled to a dispersed barrier hardening model that assumes a strength factor, α, which varies with cluster type and size to compute the yield strength increase; the results of which agree reasonably well with tensile tests performed in previous studies. Furthermore, the modeling results presented here compare quite well to the experimental observations in the low-dose regime, and provide insight into the underlying microstructure–property relationships and the need for spatially dependent modeling to accurately predict the saturation behavior of yield strength changes observed experimentally at higher dose levels.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Model reduction for flexible spacecraft with clustered natural frequencies

Two approaches to the problem of model reduction for flexible spacecraft that have proved very useful are balancing and model truncation. Furthermore, it is well known that a model representation of a lightly damped flexible structure with widely spaced natural frequencies is approximately balanced. Consequently, reduction in either coordinate system gives similar results for this case. It is important to note, however, that flexible space structures typically have clusters of closely spaced frequencies. In such cases, reduction in model coordinates can give large errors, while the error obtained using balancing is generally much smaller. A new reduction procedure which combines the best features of model and balanced reduction is therefore developed. It is more efficient than balanced reduction of the full system, as it only involves balancing those subsystems of close modes that are highly correlated, yet is shown to yield results which are essentially as good.

Williams, T. W. C.↗
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 OSTI2017

Evolution of Carbon Clusters in the Detonation Products of the Triaminotrinitrobenzene (TATB)-Based Explosive PBX 9502

Here, the detonation of carbon-rich high explosives yields solid carbon as a major constituent of the product mixture and, depending on the thermodynamic conditions behind the shock front, a variety of carbon allotropes and morphologies may form and evolve. We applied time-resolved small angle x-ray scattering (TR-SAXS) to investigate the dynamics of carbon clustering during detonation of PBX 9502, an explosive composed of triaminotrinitrobenzene (TATB) and 5 wt% fluoropolymer binder. Solid carbon formation was probed from 0.1 to 2.0 μs behind the detonation front and revealed rapid carbon cluster growth which reached a maximum after ~200 ns. The late-time carbon clusters had a radius of gyration of 3.3 nm which is consistent with 8.4 nm diameter spherical particles and matched particle sizes of recovered products. Simulations using a clustering kinetics model were found to be in good agreement with the experimental measurements of cluster growth when invoking a freeze-out temperature, and temporal shift associated with the initial precipitation of solid carbon. Product densities from reactive flow models were compared to the electron density contrast obtained from TR-SAXS and used to approximate the carbon cluster composition as a mixture of 20% highly ordered (diamond-like) and 80% disordered carbon forms, which will inform future product equation of state models for solid carbon in PBX 9502 detonation product mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The spatial distribution of satellite galaxies within halos: Measuring the very small scale angular clustering of SDSS galaxies

We measure the angular clustering of galaxies from the Sloan Digital Sky Survey (SDSS) Data Release 7 in order to probe the spatial distribution of satellite galaxies within their dark matter halos. Specifically, we measure the angular correlation function on very small scales (7″–320″) in a range of luminosity threshold samples (absolute r-band magnitudes from −18 up to −21) that are constructed from the subset of SDSS that has been spectroscopically observed more than once (the so-called plate overlap region). We choose to measure angular clustering in this reduced survey footprint in order to minimize the effects of fiber collision incompleteness, which are otherwise substantial on these small scales, and we discuss the possible impact that fiber collisions have on our measurements. We model our clustering measurements using a fully numerical halo model that populates dark matter halos in N-body simulations to create realistic mock galaxy catalogs. The model has free parameters that specify both the number and spatial distribution of galaxies within their host halos. We adopt a flexible density profile for the spatial distribution of satellite galaxies that is similar to the dark matter Navarro–Frenk–White (NFW) profile, except that the inner slope is allowed to vary. We find that the angular clustering of our most luminous samples (M{sub r} < −20 and −21) suggests that luminous satellite galaxies have substantially steeper inner density profiles than NFW. Lower-luminosity samples are less constraining, however, and are consistent with satellite galaxies having shallow density profiles. Our results confirm the findings of Watson et al. while using different clustering measurements and modeling methodology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Redshift inference from the combination of galaxy colours and clustering in a hierarchical Bayesian model

Powerful current and future cosmological constraints using high-precision measurements of the large-scale structure of galaxies and its weak gravitational lensing effects rely on accurate characterization of the redshift distributions of the galaxy samples using only broad-band imaging. In this paper, we present a framework for constraining both the redshift probability distributions of galaxy populations and the redshifts of their individual members. We use a hierarchical Bayesian model (HBM) which provides full posterior distributions on those redshift probability distributions, and, for the first time, we show how to combine survey photometry of single galaxies and the information contained in the galaxy clustering against a well-characterized tracer population in a robust way. One critical approximation turns the HBM into a system amenable to efficient Gibbs sampling. We show that in the absence of photometric information, this method reduces to commonly used clustering redshift estimators. Using a simple model system, we show how the incorporation of clustering information with photo-$z$’s tightens redshift posteriors, and can overcome biases or gaps in the coverage of a spectroscopic prior. The method enables the full propagation of redshift uncertainties into cosmological analyses, and uses all the information at hand to reduce those uncertainties and associated potential biases.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Order and disorder and their influences on optical absorption of glasses in the gap region

The exponential increase of the absorption coefficient near the absorption edge is usually explained by existence of the density-of-states tails. Among the quoted theoretical models which are widely used to explain the manifestations of the Urbach rule in semiconductors, are the Sumi–Toyozava and the Dow–Redfield models and ab initio (from beginning) theory. Our barrier-cluster-heating model assumes the different creating mechanism of exponential tails. The energy by optical transition is provided to electrons except from photons also from vibration of microregion. It deals about the replenishment of absented photons energy, which is smaller as gap width. Absented energy needed for the transition by light absorption is accumulated in certain microregions of material in the form of vibrational energy. At absorption sufficiently big package of accumulated energy can be used. Energy of emptied microarea is filled by phonons from surrounding of microarea (as result of temperature status of surrounding), resp. phonons of optical background which are created in given microarea at non radiative recombination of carriers. In this work simplified process at derivating of Urbach rule is listed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Structure of the EphB6 receptor ectodomain

Eph receptors are the largest group amongst the receptor tyrosine kinases and are divided into two subgroups, A and B, based on ligand binding specificities and sequence conservation. Through ligand-induced and ligand-independent activities, Ephs play central roles in diverse biological processes, including embryo development, regulation of neuronal signaling, immune responses, vasculogenesis, as well as tumor initiation, progression, and metastasis. The Eph extracellular regions (ECDs) are constituted of multiple domains, and previous structural studies of the A class receptors revealed how they interact with ephrin ligands and simultaneously mediate Eph-Eph clustering necessary for biological activity. Specifically, EphA structures highlighted a model, where clustering of ligand-bound receptors relies on two distinct receptor/receptor interfaces. Interestingly, most unliganded A class receptors also form an additional, third interface, between the ligand binding domain (LBD) and the fibronectin III domain (FN3) of neighboring molecules. Structures of B-class Eph ECDs, on the other hand, have never been reported. To further our understanding of Eph receptor function, we crystallized the EphB6-ECD and determined its three-dimensional structure using X-ray crystallography. EphB6 has important functions in both normal physiology and human malignancies and is especially interesting because this atypical receptor innately lacks kinase activity and our understanding of the mechanism of action is still incomplete. Our structural data reveals the overall EphB6-ECD architecture and shows EphB6-LBD/FN3 interactions similar to those observed for the unliganded A class receptors, suggesting that these unusual interactions are of general importance to the Eph group. We also observe unique structural features, which likely reflect the atypical signaling properties of EphB6, namely the need of co-receptor(s) for this kinase-inactive Eph. These findings provide new valuable information on the structural organization and mechanism of action of the B-class Ephs, and specifically EphB6, which in the future will assist in identifying clinically relevant targets for cancer therapy.

59 BASIC BIOLOGICAL SCIENCES↗