Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cluster analysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

THE PROGRESSION OF STAR FORMATION IN THE ROSETTE MOLECULAR CLOUD

Using Spitzer Space Telescope and Chandra X-Ray Observatory data, we identify young stellar objects (YSOs) in the Rosette Molecular Cloud (RMC). By being able to select cluster members and classify them into YSO types, we are able to track the progression of star formation locally within the cluster environments and globally within the cloud. We employ the nearest neighbor method analysis to explore the density structure of the clusters and YSO ratio mapping to study age progressions in the cloud. We find a relationship between the YSO ratios and extinction that suggests star formation occurs preferentially in the densest parts of the cloud and that the column density of gas rapidly decreases as the region evolves. This suggests rapid removal of gas may account for the low star formation efficiencies observed in molecular clouds. We find that the overall age spread across the RMC is small. Our analysis suggests that star formation started throughout the complex around the same time. Age gradients in the cloud appear to be localized and any effect the H II region has on the star formation history is secondary to that of the primordial collapse of the cloud.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Analysis of Fourth-, Fifth-, and Infinite-Order Triple Excitations in Unitary Coupled Cluster Theory

Here, in this work, we introduce a perturbative correction to the unitary coupled cluster method with single and double excitations (UCCSD) that incorporates the effects of missing triple excitations through fifth-order in many-body perturbation theory (MBPT). Referred to as UCCSD[T-5], this method is benchmarked alongside the previously developed UCCSD[T] to lend insight into the behavior of perturbative triples corrections relative to UCCSDT, which inherently provides an infinite-order treatment of triple excitations, as well as full configuration interaction (FCI). Two key findings emerge from this analysis. First, UCCSD[T] consistently yields ground-state energies in closest agreement with FCI, outperforming both UCCSD[T-5] and UCCSDT. Second, UCCSD[T-5] largely emulates the behavior of UCCSDT, suggesting a close relationship between fifth- and infinite-order triple-excitation contributions. Given the growing interest in UCC ansätze for quantum computing and the limitations of current quantum hardware, these results highlight the potential of classically computed perturbative corrections within UCC theory to capture triple-excitation effects without the additional quantum resources required by the UCCSDT ansatz.

Windom, Zachary W. [Oak Ridge National Laboratory ↗
DOE OSTI2021

Combination of cluster number counts and two-point correlations: validation on mock Dark Energy Survey

ABSTRACT We present a method of combining cluster abundances and large-scale two-point correlations, namely galaxy clustering, galaxy–cluster cross-correlations, cluster autocorrelations, and cluster lensing. This data vector yields comparable cosmological constraints to traditional analyses that rely on small-scale cluster lensing for mass calibration. We use cosmological survey simulations designed to resemble the Dark Energy Survey Year 1 (DES-Y1) data to validate the analytical covariance matrix and the parameter inferences. The posterior distribution from the analysis of simulations is statistically consistent with the absence of systematic biases detectable at the precision of the DES-Y1 experiment. We compare the χ2 values in simulations to their expectation and find no significant difference. The robustness of our results against a variety of systematic effects is verified using a simulated likelihood analysis of DES-Y1-like data vectors. This work presents the first-ever end-to-end validation of a cluster abundance cosmological analysis on galaxy catalogue level simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

SEARCHING FOR BULK MOTIONS IN THE INTRACLUSTER MEDIUM OF MASSIVE, MERGING CLUSTERS WITH CHANDRA CCD DATA

We search for bulk motions in the intracluster medium (ICM) of massive clusters showing evidence of an ongoing or recent major merger with spatially resolved spectroscopy in Chandra CCD data. We identify a sample of six merging clusters with >150 ks Chandra exposure in the redshift range 0.1 < z < 0.3. By performing X-ray spectral analysis of projected ICM regions selected according to their surface brightness, we obtain the projected redshift maps for all of these clusters. After performing a robust analysis of the statistical and systematic uncertainties in the measured X-ray redshift z{sub X}, we check whether or not the global z{sub X} distribution differs from that expected when the ICM is at rest. We find evidence of significant bulk motions at more than 3σ in A2142 and A115, and less than 2σ in A2034 and A520. Focusing on single regions, we identify significant localized velocity differences in all of the merger clusters. We also perform the same analysis on two relaxed clusters with no signatures of recent mergers, finding no signs of bulk motions, as expected. Our results indicate that deep Chandra CCD data enable us to identify the presence of bulk motions at the level of v{sub BM} > 1000 km s{sup −1} in the ICM of massive merging clusters at 0.1 < z < 0.3. Although the CCD spectral resolution is not sufficient for a detailed analysis of the ICM dynamics, Chandra CCD data constitute a key diagnostic tool complementing X-ray bolometers on board future X-ray missions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Fractal Dimension Effect on the Magnetization Curves of Exchange-Coupled Clusters of Magnetic Nanoparticles

The effect of the fractal dimension of exchange-coupled clusters of magnetic nanoparticles on their magnetization curves is predicted by scaling estimates. These predictions form the basis for the experimental technique used for determining the fractal dimension of nanoparticle clusters from the magnetization curves. We estimate the reliability of determining the dimension by such methods with the help of micromagnetic simulation. It is shown that the effective dimension of magnetic correlation volumes, which is determined from analysis of the magnetization approaching saturation, is in conformity with the dimension of fractal clusters determined from analysis of their morphology. The dimension estimated from analysis of the coercive field on the particle size in a physically natural situation of the dipole–dipole interaction between nanoparticles provides estimates of the cluster dimension, which strongly differs from estimates obtained from analysis of their morphology.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Pathway Aggregation in the Risk Assessment of Proliferation Resistance and Physical Protection (PR&PP) of Nuclear Energy Systems

The framework for Proliferation Resistance and Physical Protection (PR & PP) evaluation is to define a set of challenges, to obtain the system responses, and to assess the outcomes. The assessment of outcomes heavily relies on pathways, defined as sequences of events or actions that could potentially be followed by a State or a group of individuals in order to achieve a proliferation objective, with the defined threats as initiating events. There may be large number of segments connecting pathway stages (e.g. acquisition, processing, and fabrication for PR) which can lead to even larger number of pathways or scenarios through possible different combinations of segment connections, each with associated probabilities contributing to the overall risk. Clustering of these scenarios in specified stage attribute intervals is important for their tractable analysis and outcome assessment. A software tool for scenario generation and clustering (OSUPR) is developed that utilizes the PRCALC code developed at the Brookhaven National Laboratory for scenario generation and the K- means, mean shift and adaptive mean shift algorithms as possible clustering schemes. The results of the study using the Example Sodium Fast Breeder as an example system show that clustering facilitates the probabilistic or deterministic analysis of scenarios to identify system vulnerabilities and communication of the major risk contributors to stakeholders. The results of the study also show that the mean shift algorithm has the most potential for assisting the analysis of the scenarios generated by PRCALC.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2017

Understanding the Scarcity of Thorium Peroxide Clusters

The reaction of Th(NO 3 ) 4 ·5H 2 O with 3 equiv of 2,2',6',2"-terpyridine (terpy) in a mixture of acetonitrile and methanol results in formation of the trinuclear thorium peroxide cluster [Th(O 2 )(terpy)(NO 3 ) 2 ] 3 . This cluster is assembled via bridging by μ–η 2 :η 2 peroxide anions between thorium centers. It decomposes upon removal from the mother liquor to yield Th(terpy)(NO 3 ) 4 and Th(terpy)(NO 3 ) 4 (EtOH). The peroxide formation appears to be radiolytic in origin and is, most likely, generated from radiolysis of water by short-lived daughters generated from 232 Th decay. This cluster does not form when freshly recrystallized Th(NO 3 ) 4 ·5H 2 O is used as the starting material and requires an aged source of thorium. Analysis of the bonding in these clusters demonstrates that, unlike uranium(VI) peroxide interactions, thorium(IV) complexation by peroxide is quite weak and largely ionic. Furthermore, this explains its much lower stability, which is more comparable to that observed in similar zirconium(IV) peroxide clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Mass variance from archival X-ray properties of Dark Energy Survey Year-1 galaxy clusters

ABSTRACT Using archival X-ray observations and a lognormal population model, we estimate constraints on the intrinsic scatter in halo mass at fixed optical richness for a galaxy cluster sample identified in Dark Energy Survey Year-One (DES-Y1) data with the redMaPPer algorithm. We examine the scaling behaviour of X-ray temperatures, TX, with optical richness, λRM, for clusters in the redshift range 0.2 < z < 0.7. X-ray temperatures are obtained from Chandra and XMM observations for 58 and 110 redMaPPer systems, respectively. Despite non-uniform sky coverage, the TX measurements are $\gt 50{{\ \rm per\ cent}}$ complete for clusters with λRM > 130. Regression analysis on the two samples produces consistent posterior scaling parameters, from which we derive a combined constraint on the residual scatter, $\sigma _{\ln T \, |\, \lambda }= 0.275 \pm 0.019$. Joined with constraints for TX scaling with halo mass from the Weighing the Giants program and richness–temperature covariance estimates from the LoCuSS sample, we derive the richness-conditioned scatter in mass, $\sigma _{\ln M \, |\, \lambda }= 0.30 \pm 0.04\, _{({\rm stat})} \pm 0.09\, _{({\rm sys})}$, at an optical richness of approximately 100. Uncertainties in external parameters, particularly the slope and variance of the TX–mass relation and the covariance of TX and λRM at fixed mass, dominate the systematic error. The $95{{\ \rm per\ cent}}$ confidence region from joint sample analysis is relatively broad, $\sigma _{\ln M \, |\, \lambda }\in [0.14, \, 0.55]$, or a factor 10 in variance.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2004

Physics of Galaxy Clusters and How it Affects Cosmological Tests

We have worked on the analysis of the Chandra and XMM observations of the nearby and distant clusters of galaxies, and on the extended sample of the distant x- ray clusters selected in the archival ROSAT PSPC data. Some of the scientific results are discussed below.

Oliversen, Ronald J.↗
DOE OSTI2020

K-means-driven Gaussian Process data collection for angle-resolved photoemission spectroscopy

Abstract We propose the combination of k-means clustering with Gaussian Process (GP) regression in the analysis and exploration of 4D angle-resolved photoemission spectroscopy (ARPES) data. Using cluster labels as the driving metric on which the GP is trained, this method allows us to reconstruct the experimental phase diagram from as low as 12% of the original dataset size. In addition to the phase diagram, the GP is able to reconstruct spectra in energy-momentum space from this minimal set of data points. These findings suggest that this methodology can be used to improve the efficiency of ARPES data collection strategies for unknown samples. The practical feasibility of implementing this technology at a synchrotron beamline and the overall efficiency implications of this method are discussed with a view on enabling the collection of more samples or rapid identification of regions of interest.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Soar optical and near-infrared spectroscopic survey of newly discovered massive stars in the periphery of galactic massive star clusters I-NGC 3603

In this work, we present the results of a spectroscopic study of very massive stars (VMSs) found outside the center of the massive stellar cluster NGC 3603. From the analysis of the associated Southern Astrophysical Research (SOAR) Telescope spectroscopic data and related optical–near-IR (NIR) photometry, we confirm the existence of several VMSs in the periphery of NGC 3603. The first group of objects (MTT58, WR42e, and RF7) is composed of three new Galactic exemplars of the OIf*/WN type, all of them with probable initial masses well above 100 M{sub ⊙} and estimated ages of about 1 Myr. Based on our Goodman blue-optical spectrum of another source in our sample (MTT68), we can confirm the previous finding in the NIR of the only other Galactic exemplar (besides HD 93129A) of the O2If* type known to date. Based on its position relative to a set of theoretical isochrones in a Hertzprung–Russel (H–R) diagram, we concluded that the new O2If* star could be one of the most massive (150 M{sub ⊙}) and luminous (M {sub V} = −7.3) O-stars in the Galaxy. Also, another remarkable result is the discovery of a new O2v star (MTT31), which is the first exemplar of that class so far identified in the Milk Way. From its position in the H–R diagram it is found that this new star probably had an initial mass of 80 M{sub ⊙}, as well as an absolute magnitude of M {sub V} = −6.0, corresponding to a luminosity similar to other known O2v stars in the Large Magellanic Cloud. Finally, we also communicate the discovery of a new Galactic O3.5If* star (RFS8) that is quite an intriguing case. Indeed, it is located far to the south of the NGC 3603 center, in apparent isolation at a large radial projected linear distance of ∼62 pc. Its derived luminosity is similar to that of the other O3.5If* (Sh18) found in NGC 3603's innermost region, and the fact that a such high mass star is observed so isolated in the field led us to speculate that perhaps it could have been expelled from the innermost parts of the complex by a close fly-by dynamical encounter with a very massive hard binary system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Optical/X-ray/radio view of Abell 1213: A galaxy cluster with anomalous diffuse radio emission

Context. Abell 1213, a low-richness galaxy system, is known to host an anomalous radio halo detected in data of the Very Large Array (VLA). It is an outlier with regard to the relation between the radio halo power and the X-ray luminosity of the parent clusters. Aims. Our aim is to analyze the cluster in the optical, X-ray, and radio bands to characterize the environment of its diffuse radio emission and to shed new light on its nature. Methods. We used optical data from the Sloan Digital Sky Survey to study the internal dynamics of the cluster. We also analyzed archival XMM-Newton X-ray data to unveil the properties of its hot intracluster medium. Finally, we used recent data from the LOw Frequency ARray (LOFAR) at 144 MHz, together with VLA data at 1.4 GHz, to study the spectral behavior of the diffuse radio source. Results. Both our optical and X-ray analysis reveal that this low-mass cluster exhibits disturbed dynamics. In fact, it is composed of several galaxy groups in the peripheral regions and, in particular, in the core, where we find evidence of substructures oriented in the NE–SW direction, with hints of a merger nearly along the line of sight. The analysis of the X-ray emission adds further evidence that the cluster is in an unrelaxed dynamical state. At radio wavelengths, the LOFAR data show that the diffuse emission is ~510 kpc in size. Moreover, there are hints of low-surface-brightness emission permeating the cluster center. Conclusions. The environment of the diffuse radio emission is not what we would expect for a classical halo. The spectral index map of the radio source is compatible with a relic interpretation, possibly due to a merger in the N–S or NE–SW directions, in agreement with the substructures detected through the optical analysis. The fragmented, diffuse radio emissions at the cluster center could be attributed to the surface brightness peaks of a faint central radio halo.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Fatty acid capped, metal oxo clusters as the smallest conceivable nanocrystal prototypes

Metal oxo clusters of the type M 6 O 4 (OH) 4 (OOCR) 12 (M = Zr or Hf) are valuable building blocks for materials science. Here, we synthesize a series of zirconium and hafnium oxo clusters with ligands that are typically used to stabilize oxide nanocrystals (fatty acids with long and/or branched chains). The fatty acid capped oxo clusters have a high solubility but do not crystallize, precluding traditional purification and single-crystal XRD analysis. We thus develop alternative purification strategies and we use X-ray total scattering and Pair Distribution Function (PDF) analysis as our main method to elucidate the structure of the cluster core. We identify the correct structure from a series of possible clusters (Zr3, Zr4, Zr6, Zr12, Zr10, and Zr26). Excellent refinements are only obtained when the ligands are part of the structure model. Further evidence for the cluster composition is provided by nuclear magnetic resonance (NMR), infrared spectroscopy (FTIR), thermogravimetry analysis (TGA), and mass spectrometry (MS). We find that hydrogen bonded carboxylic acid is an intrinsic part of the oxo cluster. Using our analytical tools, we elucidate the conversion from a Zr6 monomer to a Zr12 dimer (and vice versa), induced by carboxylate ligand exchange. Finally, we compare the catalytic performance of Zr12-oleate clusters with oleate capped, 5.5 nm zirconium oxide nanocrystals in the esterification of oleic acid with ethanol. The oxo clusters present a five times higher reaction rate, due to their higher surface area. Since the oxo clusters are the lower limit of downscaling oxide nanocrystals, we present them as appealing catalytic materials, and as atomically precise model systems. In addition, the lessons learned regarding PDF analysis are applicable to other areas of cluster science as well, from semiconductor and metal clusters, to polyoxometalates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Assessment of Outliers in Alloy Datasets Using Unsupervised Techniques

We report advancements in data analytics techniques have enabled complex, disparate datasets to be leveraged for alloy design. Identifying outliers in a dataset can reduce noise, identify erroneous and/or anomalous records, prevent overfitting, and improve model assessment and optimization. In this work, two alloy datasets (9-12% Cr ferritic martensitic steels, and austenitic stainless steels) have been assessed for outliers using unsupervised techniques and supplemented with domain knowledge. Principal component analysis and k-means clustering were applied to the data, and points were assessed as outliers based on their distance away from other points in the cluster and from other points in the dataset. The outlier characteristics were investigated to determine both cluster-specific and overall trends in the properties of the outlier points. The approach demonstrated here is extensible to other alloy datasets for outlier identification and evaluation to improve the reliability of machine learning and modeling predictions for advanced alloy design.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Aspects of rare earth element enrichment in Allegheny Plateau coals, Pennsylvania, USA

The Allegheny Plateau in western Pennsylvania, western Maryland, and northern West Virginia has relatively flat-lying strata with southwest-northeast-trending anticlines cored by splay faults originating from the thrust faults and southeast-northwest-trending lineaments. The lineaments define both the structural relief of the anticlines and the coal rank. Coal rank in the Pennsylvanian Allegheny Group coals is medium volatile bituminous in the region of less-prominent structural relief and low volatile bituminous in the region with more pronounced anticlines. Zinc and Cl exhibit high values in coals in the vicinity of the lineaments. Although coal rank was not a parameter in the Principal components analysis, the highest rank coals clustered together in a quadrant defined, in part, by the Zn concentration. Zinc was selected as a parameter due to its possible link with hydrothermal mineralization and Zr and TiO 2 /Al 2 O 3 were selected based on their presumed association with detrital mineral influences. The highest rare earths + Y values in benches of the Lower Kittanning coal were found at sites close to the lineaments. Negative or negligible Ce anomalies (δCe) and strongly positive Gd anomalies (δGd) suggest marine or hydrothermal influences and negative Eu anomalies (δEu) along with high TiO 2 /Al 2 O 3 values suggest a terrestrial input. In conclusion, the plots of δCe vs. δGd and δCe vs. δEu show that the low volatile bituminous coals are segregated from the other coals, suggesting that the factors that influenced coal rank also influenced the distribution of the rare earth elements.

58 GEOSCIENCES↗
DOE OSTI2019

Fast neural network training on a cluster of GPUs for action recognition with high accuracy

In this work, we propose algorithms and techniques to accelerate training of deep neural networks for action recognition on a cluster of GPUs. The convergence analysis of our algorithm shows it is possible to reduce communication cost and at the same time minimize the number of iterations needed for convergence. We customize the Adam optimizer for our distributed algorithm to improve efficiency. In addition, we employ transfer-learning to further reduce training time while improving validation accuracy. For the UCF101 and HMDB51 datasets, the validation accuracies achieved are 93.1% and 67.9% respectively. With an additional end-to-end trained temporal stream, the validation accuracies achieved for UCF101 and HMDB51 are 93.47% and 81.24% respectively. As far as we know, these are the highest accuracies achieved with the two-stream approach using ResNet that does not involve computationally expensive 3D convolutions or pretraining on much larger datasets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Ag-ligand modified tungstovandates and their efficient catalysis degradation properties for methylene blue

Two polytungstovandates [Ag(mbpy){sub 2}][Ag{sub 2}(mbpy){sub 3}][VW{sub 5}O{sub 19}]·H{sub 2}O (1) and [Ag(mbpy)]{sub 2}[Ag(mbpy){sub 2}]{sub 4}[VW{sub 12}O{sub 40}] (2) (mbpy =4,4′-dimethyl-2,2′-bipyridyl), had been hydrothermally synthesized and characterized by IR, TG, and single-crystal X-ray diffraction techniques. Single-crystal structural analysis revealed that the polyanionic clusters in two compounds are different: Lindqvist-type in 1 and α-Keggin-type in 2, respectively, while the cationic moieties in them are Ag-mbpy units. The experiments showed that this kind of hybrid crystal materials possesses more efficiently catalytic performance for the degradation of organic dye methylene blue (MB) in water solution under the UV irradiation. The significant degradation rate of MB can reach 89.9%, 94.9% by crystals 1 and 2 (40 mg) in the course of about 5 min. - Graphical abstract: Two Ag-ligand modified polytungstovandates had been synthesized and characterized, which were active in the catalytic degradation of organic dye methylene blue under the UV irradiation. - Highlights: • Two Ag-ligand modified tungstovandates were synthesized and characterized. • Weak interactions play important roles in constructing crystal frameworks. • Compounds are active to catalyze the degradation of methylene blue.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

An Attractive Way to Correct for Missing Singles Excitations in Unitary Coupled Cluster Doubles Theory

Coupled cluster methods based exclusively on double excitations are comparatively “cheap” and interesting model chemistries, as they are typically able to capture the bulk of the dynamic electron correlation effects. The trade-off in such approximations is that the effect of neglected excitations, particularly single excitations, can be considerable. Using standard and electron-pair-restricted T 2 operators to define two flavors of unitary coupled cluster doubles (UCCD) methods, we investigate the extent to which missing single excitations can be recovered from low-order corrections in many-body perturbation theory (MBPT) within the unitary coupled cluster (UCC) formalism. Here, our analysis includes the derivations of finite-order UCC energy functionals, which are used as a basis to define perturbative estimates of missed single excitations. This leads to the novel UCCD[4S] and UCCD[6S] methods, which consider energy corrections for missing single excitations through fourth- and sixth-order in MBPT, respectively. We also apply the same methodology to the electron-pair-restricted ansatz, but the improvements are only marginal. Our findings show that augmenting UCCD with these post hoc perturbative corrections can lead to UCCSD-quality results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗