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DOE OSTI2017

An Improved Method for Determining the Integrated Properties of Nuclear Rings: NGC 1512

The integrated properties of nuclear rings are correlated with the secular evolution and dynamics of the host galaxies of the rings, as well as with the formation and evolution of the rings’ star cluster population(s). Here we present a new method to accurately measure the spectral energy distribution and current star formation rate (SFR) of the nuclear ring in the barred spiral galaxy NGC 1512, based on high-resolution Hubble and Spitzer Space Telescope images. Image degradation does not have a significant negative effect on the robustness of the results. To obtain the ring’s SFR for the period spanning ∼3–10 Myr, we apply our method to the continuum-subtracted Hα and 8 μm images. The resulting SFR surface density, Σ{sub SFR}=0.09 M{sub ⊙} yr{sup −1} kpc{sup −2}, is much higher than the disk-averaged SFR densities in normal galaxies. We also estimate the ring’s total stellar mass, log (M/M {sub ⊙}) = 7.1 ± 0.11, for an average age of ∼40 Myr.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Nucleon and nucleon-pair momentum distributions in A≤12 nuclei

We report variational Monte Carlo calculations of single-nucleon momentum distributions for A≤12 nuclei and nucleon-pair and nucleon-cluster momentum distributions for A≤8. The wave functions have been generated for a Hamiltonian containing the Argonne ν 18 two-nucleon and Urbana X three-nucleon potentials. The single-nucleon and nucleon-pair momentum distributions exhibit universal features attributable to the one-pion-exchange tensor interaction The single-nucleon distributions are broken down into proton and neutron components and spin-up and spin-down components where appropriate. The nucleon-pair momentum distributions are given separately for pp and pn pairs. The nucleon-cluster momentum distributions include dp in 3 He, tp and dd in S 4 He, αd in 6 Li,αt in 7 Li, and αα in 8 Be. Detailed tables are provided on-line for download.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Unveiling the Universe with emerging cosmological probes

The detection of the accelerated expansion of the Universe has been one of the major breakthroughs in modern cosmology. Several cosmological probes (Cosmic Microwave Background, Supernovae Type Ia, Baryon Acoustic Oscillations) have been studied in depth to better understand the nature of the mechanism driving this acceleration, and they are being currently pushed to their limits, obtaining remarkable constraints that allowed us to shape the standard cosmological model. In parallel to that, however, the percent precision achieved has recently revealed apparent tensions between measurements obtained from different methods. These are either indicating some unaccounted systematic effects, or are pointing toward new physics. Following the development of CMB, SNe, and BAO cosmology, it is critical to extend our selection of cosmological probes. Novel probes can be exploited to validate results, control or mitigate systematic effects, and, most importantly, to increase the accuracy and robustness of our results. This review is meant to provide a state-of-art benchmark of the latest advances in emerging “beyond-standard” cosmological probes. We present how several different methods can become a key resource for observational cosmology. In particular, we review cosmic chronometers, quasars, gamma-ray bursts, standard sirens, lensing time-delay with galaxies and clusters, cosmic voids, neutral hydrogen intensity mapping, surface brightness fluctuations, stellar ages of the oldest objects, secular redshift drift, and clustering of standard candles. The review describes the method, systematics, and results of each probe in a homogeneous way, giving the reader a clear picture of the available innovative methods that have been introduced in recent years and how to apply them. The review also discusses the potential synergies and complementarities between the various probes, exploring how they will contribute to the future of modern cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1993

An improved reconstruction method for cosmological density fields

This paper proposes some improvements to existing reconstruction methods for recovering the initial linear density and velocity fields of the universe from the present large-scale density distribution. We derive the Eulerian continuity equation in the Zel'dovich approximation and show that, by applying this equation, we can trace the evolution of the gravitational potential of the universe more exactly than is possible with previous approaches based on the Zel'dovich-Bernoulli equation. The improved reconstruction method is tested using N-body simulations. When the Zel'dovich-Bernoulli equation describes the formation of filaments, then the Zel'dovich continuity equation also follows the clustering of clumps inside the filaments. Our reconstruction method recovers the true initial gravitational potential with an rms error about 3 times smaller than previous methods. We examine the recovery of the initial distribution of Fourier components and find the scale at which the recovered phases are scrambled with respect their true initial values. Integrating the Zel'dovich continuity equation back in time, we can improve the spatial resolution of the reconstruction by a factor of about 2.

Gramann, Mirt↗

DOE OSTI2015

Linking Semiconductor Nanocrystals into Gel Networks through All‐Inorganic Bridges

Abstract For colloidal semiconductor nanocrystals (NCs), replacement of insulating organic capping ligands with chemically diverse inorganic clusters enables the development of functional solids in which adjacent NCs are strongly coupled. Yet controlled assembly methods are lacking to direct the arrangement of charged, inorganic cluster‐capped NCs into open networks. Herein, we introduce coordination bonds between the clusters capping the NCs thus linking the NCs into highly open gel networks. As linking cations (Pt 2+ ) are added to dilute (under 1 vol %) chalcogenidometallate‐capped CdSe NC dispersions, the NCs first form clusters, then gels with viscoelastic properties. The phase behavior of the gels for variable [Pt 2+ ] suggests they may represent nanoscale analogues of bridged particle gels, which have been observed to form in certain polymer colloidal suspensions.

Singh, Amita↗

DOE OSTI2015

Linking Semiconductor Nanocrystals into Gel Networks through All‐Inorganic Bridges

Singh, Amita↗

DOE OSTI2014

Nonlinear effects of dark energy clustering beyond the acoustic scales

We extend the resummation method of Anselmi and Pietroni (2012) to compute the total density power spectrum in models of quintessence characterized by a vanishing speed of sound. For standard ΛCDM cosmologies, this resummation scheme allows predictions with an accuracy at the few percent level beyond the range of scales where acoustic oscillations are present, therefore comparable to other, common numerical tools. In addition, our theoretical approach indicates an approximate but valuable and simple relation between the power spectra for standard quintessence models and models where scalar field perturbations appear at all scales. This, in turn, provides an educated guess for the prediction of nonlinear growth in models with generic speed of sound, particularly valuable since no numerical results are yet available.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Final Report for "Non-Accelerator Physics – Research in High Energy Physics: Dark Energy Research on DES"

One of the greatest mysteries in modern cosmology is the fact that the expansion of the universe is observed to be accelerating. This acceleration may stem from dark energy, an additional energy component of the universe, or may indicate that the theory of general relativity is incomplete on cosmological scales. The growth rate of large-scale structure in the universe and particularly the largest collapsed structures, clusters of galaxies, is highly sensitive to the underlying cosmology. Clusters will provide one of the single most precise methods of constraining dark energy with the ongoing Dark Energy Survey (DES). The accuracy of the cosmological constraints derived from DES clusters necessarily depends on having an optimized and well-calibrated algorithm for selecting clusters as well as an optical richness estimator whose mean relation and scatter compared to cluster mass are precisely known. Calibrating the galaxy cluster richness-mass relation and its scatter was the focus of the funded work. Specifically, we employ X-ray observations and optical spectroscopy with the Keck telescopes of optically-selected clusters to calibrate the relationship between optical richness (the number of galaxies in a cluster) and underlying mass. This work also probes aspects of cluster selection like the accuracy of cluster centering which are critical to weak lensing cluster studies.

43 PARTICLE ACCELERATORS↗

DOE OSTI2016

A source-attractor approach to network detection of radiation sources

Radiation source detection using a network of detectors is an active field of research for homeland security and defense applications. We propose Source-attractor Radiation Detection (SRD) method to aggregate measurements from a network of detectors for radiation source detection. SRD method models a potential radiation source as a magnet -like attractor that pulls in pre-computed virtual points from the detector locations. A detection decision is made if a sufficient level of attraction, quantified by the increase in the clustering of the shifted virtual points, is observed. Compared with traditional methods, SRD has the following advantages: i) it does not require an accurate estimate of the source location from limited and noise-corrupted sensor readings, unlike the localizationbased methods, and ii) its virtual point shifting and clustering calculation involve simple arithmetic operations based on the number of detectors, avoiding the high computational complexity of grid-based likelihood estimation methods. We evaluate its detection performance using canonical datasets from Domestic Nuclear Detection Office s (DNDO) Intelligence Radiation Sensors Systems (IRSS) tests. SRD achieves both lower false alarm rate and false negative rate compared to three existing algorithms for network source detection.

Wu, Qishi↗

DOE OSTI2021

The Completed SDSS-IV Extended Baryon Oscillation Spectroscopic Survey: N-body Mock Challenge for Galaxy Clustering Measurements

We develop a series of N-body data challenges, functional to the final analysis of the extended Baryon Oscillation Spectroscopic Survey (eBOSS) Data Release 16 (DR16) galaxy sample. The challenges are primarily based on high-fidelity catalogues constructed from the Outer Rim simulation - a large box size realization (3h(-1) Gpc) characterized by an unprecedented combination of volume and mass resolution, down to 1.85 x 10(9) h(-1)M(circle dot). We generate synthetic galaxy mocks by populating Outer Rim haloes with a variety of halo occupation distribution (HOD) schemes of increasing complexity, spanning different redshift intervals. We then assess the performance of three complementary redshift space distortion (RSD) models in configuration and Fourier space, adopted for the analysis of the complete DR16 eBOSS sample of Luminous Red Galaxies (LRG5). We find all the methods mutually consistent, with comparable systematic errors on the Alcock-Paczynski parameters and the growth of structure, and robust to different HOD prescriptions - thus validating the robustness of the models and the pipelines used for the baryon acoustic oscillation (BAO) and full shape clustering analysis. In particular, all the techniques are able to recover and alpha(11) to within 0.9 per cent, and f sigma(8) to within 1.5 per cent. As a by-product of our work, we are also able to gain interesting insights on the galaxy-halo connection. Our study is relevant for the final eBOSS DR16 'consensus cosmology', as the systematic error budget is informed by testing the results of analyses against these high-resolution mocks. In addition, it is also useful for future large-volume surveys, since similar mock-making techniques and systematic corrections can be readily extended to model for instance the Dark Energy Spectroscopic Instrument (DESI) galaxy sample.

cosmology: theory, large-scale structure of Univer↗

NASA NTRS2004

Using Fuzzy Clustering for Real-time Space Flight Safety

To ensure space flight safety, it is necessary to monitor myriad sensor readings on the ground and in flight. Since a space shuttle has many sensors, monitoring data and drawing conclusions from information contained within the data in real time is challenging. The nature of the information can be critical to the success of the mission and safety of the crew and therefore, must be processed with minimal data-processing time. Data analysis algorithms could be used to synthesize sensor readings and compare data associated with normal operation with the data obtained that contain fault patterns to draw conclusions. Detecting abnormal operation during early stages in the transition from safe to unsafe operation requires a large amount of historical data that can be categorized into different classes (non-risk, risk). Even though the 40 years of shuttle flight program has accumulated volumes of historical data, these data don t comprehensively represent all possible fault patterns since fault patterns are usually unknown before the fault occurs. This paper presents a method that uses a similarity measure between fuzzy clusters to detect possible faults in real time. A clustering technique based on a fuzzy equivalence relation is used to characterize temporal data. Data collected during an initial time period are separated into clusters. These clusters are characterized by their centroids. Clusters formed during subsequent time periods are either merged with an existing cluster or added to the cluster list. The resulting list of cluster centroids, called a cluster group, characterizes the behavior of a particular set of temporal data. The degree to which new clusters formed in a subsequent time period are similar to the cluster group is characterized by a similarity measure, q. This method is applied to downlink data from Columbia flights. The results show that this technique can detect an unexpected fault that has not been present in the training data set.

Lee, Charles↗

DOE OSTI2017

CC2 oscillator strengths within the local framework for calculating excitation energies (LoFEx)

In a recent work [P. Baudin and K. Kristensen, J. Chem. Phys. 144, 224106 (2016)], we introduced a local framework for calculating excitation energies (LoFEx), based on second-order approximated coupled cluster (CC2) linear-response theory. LoFEx is a black-box method in which a reduced excitation orbital space (XOS) is optimized to provide coupled cluster (CC) excitation energies at a reduced computational cost. In this article, we present an extension of the LoFEx algorithm to the calculation of CC2 oscillator strengths. Two different strategies are suggested, in which the size of the XOS is determined based on the excitation energy or the oscillator strength of the targeted transitions. The two strategies are applied to a set of medium-sized organic molecules in order to assess both the accuracy and the computational cost of the methods. The results show that CC2 excitation energies and oscillator strengths can be calculated at a reduced computational cost, provided that the targeted transitions are local compared to the size of the molecule. Finally, to illustrate the potential of LoFEx for large molecules, both strategies have been successfully applied to the lowest transition of the bivalirudin molecule (4255 basis functions) and compared with time-dependent density functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

The protonation of N2O reexamined - A case study on the reliability of various electron correlation methods for minima and transition states

The protonation of N2O and the intramolecular proton transfer in N2OH(+) are studied using various basis sets and a variety of methods, including second-order many-body perturbation theory (MP2), singles and doubles coupled cluster (CCSD), the augmented coupled cluster (CCSD/T/), and complete active space self-consistent field (CASSCF) methods. For geometries, MP2 leads to serious errors even for HNNO(+); for the transition state, only CCSD/T/ produces a reliable geometry due to serious nondynamical correlation effects. The proton affinity at 298.15 K is estimated at 137.6 kcal/mol, in close agreement with recent experimental determinations of 137.3 +/- 1 kcal/mol.

Martin, J. M. L.↗

DOE OSTI2017

Star Cluster Formation in Cosmological Simulations. II. Effects of Star Formation Efficiency and Stellar Feedback

The implementation of star formation and stellar feedback in cosmological simulations plays a critical role in shaping galaxy properties. In the first paper of the series, we presented a new method to model star formation as a collection of star clusters. In this paper, we improve the algorithm by eliminating accretion gaps, boosting momentum feedback, and introducing a subgrid initial bound fraction, $f_i$, that distinguishes cluster mass from stellar particle mass. We perform a suite of simulations with different star formation efficiency per freefall time $\epsilon_{\rm ff}$ and supernova momentum feedback intensity $f_{\rm boost}$. We find that the star formation history of a Milky Way-sized galaxy is sensitive to $f_{\rm boost}$, which allows us to constrain its value, $f_{\rm boost}\approx5$, in the current simulation setup. Changing $\epsilon_{\rm ff}$ from a few percent to 200\% has little effect on global galaxy properties. However, on smaller scales, the properties of star clusters are very sensitive to $\epsilon_{\rm ff}$. We find that $f_i$ increases with $\epsilon_{\rm ff}$ and cluster mass. Through the dependence on $f_i$, the shape of the cluster initial mass function varies strongly with $\epsilon_{\rm ff}$. The fraction of clustered star formation and maximum cluster mass increase with the star formation rate surface density, with the normalization of both relations dependent on $\epsilon_{\rm ff}$. The cluster formation timescale systematically decreases with increasing $\epsilon_{\rm ff}$. Local variations in the gas accretion history lead to a 0.25~dex scatter for the integral cluster formation efficiency. Joint constraints from all the observables prefer the runs that produce a median integral efficiency of 16\%.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2018

K-Means Cluster Study for Radiofrequency Propagation Characterization

The objective of this study is to design a simple method for mining radio frequency (RF) propagation data. The study explored the characteristics of a large dataset of propagation experiments conducted over the span of years and using several ground stations around the world. Furthermore, this study developed simple predictive models that can be used for link characterization and overall propagation behavior description, without the need for physical measurements on-site. It is understood that such statistical learning has several drawbacks in terms of accuracy and precision. K-means clustering was used to characterize the data set in a way never explored before in an attempt to create useful tools that reduce cost, time and risk. K-means clustering was used to characterize the data set. Cosine distance was used as a method to determine the optimal number for clustering each feature. Dependence and independence analysis was performed to explore intra and inter-sensitivity between the presented features, with respect to each other and time. Several predicative models were generated and evaluated with respect to a test set to assess a measure of prediction accuracy and precision. A simple method for data analysis was developed and tested as the basis for further studies and future refinement to produce optimal performing models.

Cognitive↗

DOE OSTI2022

Single- and two-particle finite size effects in interacting lattice systems

Simulations of extended quantum systems are typically performed by extrapolating results of a sequence of finite-system-size simulations to the thermodynamic limit. In the quantum Monte Carlo community, twist-averaging was pioneered as an efficient strategy to eliminate one-body finite size effects. In the dynamical mean field community, cluster generalizations of the dynamical mean field theory were formulated to study systems with nonlocal correlations. In this work, we put the twist-averaging and the dynamical cluster approximation variant of the dynamical mean field theory onto equal footing, discuss commonalities and differences, and compare results from both techniques to the standard periodic boundary technique. At the example of Hubbard-type models with local, short-range and Yukawa-like longer range interactions we show that all methods converge to the same limit, but that the convergence speed differs in practice. We show that embedding theories are an effective tool for managing both one-body and two-body finite size effects, in particular if interactions are averaged over twist angles.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Generation of Lithium Clusters in Helium Plasma Flow

The formation of lithium clusters in a helium flow is considered within the method considering the widths of energy levels. It is shown that lithium atoms in a plasma flow of inert helium form a cluster consisting of lithium only. In addition to lithium clusters with interatomic distances corresponding to interatomic distances of the equilibrium state, long-lived excitations of clusters with interatomic distances of 13 Bohr radii are observed. However, if excitations are removed, such systems transfer into the ground state or decay. In addition, it is observed that Li–He systems are long-lived under conditions of external excitations but quickly lose helium when these excitations are removed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

The Thermal and Kinematic Sunyaev–Zeldovich Effect in Galaxy Clusters and Filaments Using Multifrequency Temperature Maps of the Cosmic Microwave Background: A399–A401 Cluster Pair Case Study

We present a multifrequency and multi-instrument methodology to study the physical properties of galaxy clusters and cosmic filaments using cosmic microwave background observations. Our approach enables simultaneous measurement of both the thermal (tSZ) and kinematic Sunyaev–Zeldovich (kSZ) effects, incorporates relativistic corrections, and models astrophysical foregrounds such as thermal dust emission. We do this by jointly fitting a single physical model across multiple maps from multiple instruments at different frequencies, rather than fitting a model to a single Compton-y map. We demonstrate the success of this method by fitting the A399–A401 galaxy cluster pair and filament system using archival data from the Planck satellite and new, targeted deep data from the Atacama Cosmology Telescope, covering 11 different frequencies over 14 maps from 30 GHz to 545 GHz. Our tSZ results are consistent with previous work using Compton-y maps. We measure the line-of-sight peculiar velocities of the cluster–filament system using the kSZ effect and find statistical uncertainties on individual cluster peculiar velocities of ≲600 km s −1 , which are competitive with current state-of-the-art measurements. Additionally, we measure the optical depth of the filament component with a signal-to-noise of 8.5σ and reveal hints of its morphology. This modular approach is well-suited for application to future instruments across a wide range of millimeter and submillimeter wavebands.

Gill, Ajay S. [National Research Council of Canada↗