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At least 1,693 records · Page 94

Simultaneous global and local clustering in multiplex networks with covariate information

Understanding both global and layer-specific group structures is useful for uncovering complex patterns in networks with multiple interaction types. In this work, we introduce a new model, the hierarchical multiplex stochastic blockmodel, which simultaneously detects communities within individual layers of a multiplex network while inferring a global node clustering across the layers. A stochastic blockmodel is assumed in each layer, with probabilities of layer-level group memberships determined by a node’s global group assignment. Our model uses a Bayesian framework, employing a probit stick-breaking process to construct node-specific mixing proportions over a set of shared Griffiths–Engen–McCloseky distributions. These proportions determine layer-level community assignment, allowing for an unknown and varying number of groups across layers, while incorporating nodal covariate information to inform the global clustering. We propose a scalable variational inference procedure with parallelisable updates for application to large networks. Extensive simulation studies demonstrate our model’s ability to accurately recover both global and layer-level clusters in complicated settings, and applications to real data showcase the model’s effectiveness in uncovering interesting latent network structure.

community detection↗

Seamless Digital Environment – Plan for Data Analytics Use Case Study

The U.S Department of Energy Light Water Reactor Sustainability (LWRS) Program initiated research in to what is needed in order to provide a roadmap or model for Nuclear Power Plants to reference when building an architecture that can support the growing data supply and demand flowing through their networks. The Digital Architecture project published report Digital Architecture Planning Model (Oxstrand et. al, 2016) discusses things to consider when building an architecture to support the increasing needs and demands of data throughout the plant. Once the plant is able to support the data demands it still needs to be able to provide the data in an easy, quick and reliable method. A common method is to create a “one stop shop” application that a user can go to get all the data they need. The creation of this leads to the need of creating a Seamless Digital Environment (SDE) to integrate all the “siloed” data. An SDE is the desired perception that should be presented to users by gathering the data from any data source (e.g., legacy applications and work management systems) without effort by the user. The goal for FY16 was to complete a feasibility study for data mining and analytics for employing information from computer-based procedures enabled technologies for use in developing improved business analytics. The research team collaborated with multiple organizations to identify use cases or scenarios, which could be beneficial to investigate in a feasibility study. Many interesting potential use cases were identified throughout the FY16 activity. Unfortunately, due to factors out of the research team’s control, none of the studies were initiated this year. However, the insights gained and the relationships built with both PVNGS and NextAxiom will be valuable when moving forward with future research. During the 2016 annual Nuclear Information Technology Strategic Leadership (NITSL) group meeting it was identified would be very beneficial to the industry to support a research effort focused on data analytics. It was suggested that the effort would develop and evaluate use cases for data mining and analytics for employing information from plant sensors and database for use in developing improved business analytics.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Baseline Cost Model for Hydropower: Documentation (2025)

Hydropower currently contributes about 80 GW of conventional and 23 GW of pumped storage capacity to the United States (US) power grid. Previous studies have estimated a considerable amount of remaining US hydropower resources, including non-powered dams (NPD) (Hadjerioua et al., 2012), new stream-reach developments (NSD) (Kao et al., 2014), pumped storage hydropower (PSH) and canal/conduit (Kao et al., 2022). The combined theoretical capacity potential of these various hydropower resources is comparable to the existing US hydropower capacity. There is a continuing interest in developing this hydropower potential, particularly to help meet the increasing demand for electricity. However, available data (Sasthav and Oladosu, 2022) show that the rate of new hydropower development has slowed considerably over time despite the interest of industry stakeholders. This is partly due to the competition from other energy resources and from the highly dispersed nature of remaining hydropower resources, which lead to high information requirements for evaluating the feasibility of potential projects. Cost information provides the most succinct summary of the feasibility of a potential hydropower project required by stakeholders, including developers, investors, policymakers, consumer groups, etc., considering investment options. The best estimates of hydropower costs can be obtained through detailed engineering design and cost assessments of individual projects. However, this approach has high data and resource (time, funds, cross-disciplinary expertise) requirements that render it inapplicable for rapid cost estimation with limited data. Although innovative approaches can overcome some of these impediments (see Oladosu and Ma, 2024 for such an application to potential NPD projects), the development of such approaches still requires significant amounts of resources and are not generally applicable to all hydropower project types. Therefore, statistical and parametric methods using simpler cost specifications remain of significant utility to hydropower stakeholders and are, at the least, complementary to more detailed approaches, particularly when evaluating many potential projects.

13 HYDRO ENERGY↗

Three Quenched, Faint Dwarf Galaxies in the Direction of NGC 300: New Probes of Reionization and Internal Feedback

We report the discovery of three faint and ultra-faint dwarf galaxies -- Sculptor A, Sculptor B and Sculptor C -- in the direction of NGC 300 (D=2.0 Mpc), a Large Magellanic Cloud-mass galaxy. Deep ground-based imaging with Gemini/GMOS resolves all three dwarf galaxies into stars, each displaying a red giant branch indicative of an old, metal-poor stellar population. No young stars or HI gas are apparent, and the lack of a GALEX UV detection suggests that all three systems are quenched. Sculptor C (D=2.04$^{+0.10}_{-0.13}$ Mpc; $M_V=-9.1\pm 0.1$ mag or $L_V=(3.7^{+0.4}_{-0.3})\times 10^5L_{\odot})$ is consistent with being a satellite of NGC 300. Sculptor A (D=1.35$^{+0.22}_{-0.08}$ Mpc; $M_V=-6.9\pm 0.3$ mag or $L_V=(5^{+1}_{-1})\times 10^4 L_{\odot})$ is likely in the foreground of NGC 300 and at the extreme edge of the Local Group, analogous to the recently discovered ultra-faint Tucana B in terms of its physical properties and environment. Sculptor B (D=2.48$^{+0.21}_{-0.24}$ Mpc; $M_V=-8.1\pm 0.3$ mag or $L_V=(1.5^{+0.5}_{-0.4})\times 10^5L_{\odot})$ is likely in the background, but future distance measurements are necessary to solidify this statement. It is also of interest due to its quiescent state and low stellar mass. Both Sculptor A and B are $\gtrsim 2-4 r_{vir}$ from NGC 300 itself. The discovery of three dwarf galaxies in isolated or low-density environments offers an opportunity to study the varying effects of ram pressure stripping, reionization and internal feedback in influencing the star formation history of the faintest stellar systems.

79 ASTRONOMY AND ASTROPHYSICS↗

SAMS Acceleration Measurements on Mir (NASA Increment 4)

During NASA Increment 4 (January to May 1997), about 5 gigabytes of acceleration data were collected by the Space Acceleration Measurements System (SAMS) onboard the Russian Space Station, Mir. The data were recorded on 28 optical disks which were returned to Earth on STS-84. During this increment, SAMS data were collected in the Priroda module to support the Mir Structural Dynamics Experiment (MiSDE), the Binary Colloidal Alloy Tests (BCAT), Angular Liquid Bridge (ALB), Candle Flames in Microgravity (CFM), Diffusion Controlled Apparatus Module (DCAM), Enhanced Dynamic Load Sensors (EDLS), Forced Flow Flame Spreading Test (FFFr), Liquid Metal Diffusion (LMD), Protein Crystal Growth in Dewar (PCG/Dewar), Queen's University Experiments in Liquid Diffusion (QUELD), and Technical Evaluation of MIM (TEM). This report points out some of the salient features of the microgravity environment to which these experiments were exposed. Also documented are mission events of interest such as the docked phase of STS-84 operations, a Progress engine bum, Soyuz vehicle docking and undocking, and Progress vehicle docking. This report presents an overview of the SAMS acceleration measurements recorded by 10 Hz and 100 Hz sensor heads. The analyses included herein complement those presented in previous summary reports prepared by the Principal Investigator Microgravity Services (PIMS) group.

DeLombard, Richard↗

SAMS Acceleration Measurements on Mir From January to May 1997 (NASA Increment 4)

During NASA Increment 4 (January to May 1997), about 5 gigabytes of acceleration data were collected by the Space Acceleration Measurements System (SAMS) onboard the Russian Space Station, Mir. The data were recorded on 28 optical disks which were returned to Earth on STS-84. During this increment, SAMS data were collected in the Priroda module to support the Mir Structural Dynamics Experiment (MiSDE), the Binary Colloidal Alloy Tests (BCAT), Angular Liquid Bridge (ALB), Candle Flames in Microgravity (CFM), Diffusion Controlled Apparatus Module (DCAM), Enhanced Dynamic Load Sensors (EDLS), Forced Flow Flame Spreading Test (FFFT), Liquid Metal Diffusion (LMD), Protein Crystal Growth in Dewar (PCG/Dewar), Queen's University Experiments in Liquid Diffusion (QUELD), and Technical Evaluation of MIM (TEM). This report points out some of the salient features of the microgravity environment to which these experiments were exposed. Also documented are mission events of interest such as the docked phase of STS-84 operations, a Progress engine burn, Soyuz vehicle docking and undocking, and Progress vehicle docking. This report presents an overview of the SAMS acceleration measurements recorded by 10 Hz and 100 Hz sensor heads. The analyses included herein complement those presented in previous summary reports prepared by the Principal Investigator Microgravity Services (PIMS) group.

DeLombard, Richard↗

2002 Microgravity Materials Science Conference

The 2002 Microgravity Materials Science Conference was held June 25-26, 2002, at the Von Braun Center, Huntsville, Alabama. Organized by the Microgravity Materials Science Discipline Working Group, sponsored by the Physical Sciences Research Division, NASA Headquarters, and hosted by NASA Marshall Space Flight Center and member institutions under the Cooperative Research in Biology and Materials Science (CORBAMS) agreement, the conference provided a forum to review the current research and activities in materials science, discuss the envisioned long-term goals, highlight new crosscutting research areas of particular interest to the Physical Sciences Research Division, and inform the materials science community of research opportunities in reduced gravity. An abstracts book was published and distributed at the conference to the approximately 240 people attending, who represented industry, academia, and other NASA Centers. This CD-ROM proceedings is comprised of the research reports submitted by the Principal Investigators in the Microgravity Materials Science program.

Gillies, Donald↗

Analyzing the Ages of South Polar Craters on the Moon: Implications for the Sources and Evolution of Surface Water Ice

Surface water ice in the permanently shadowed polar regions of the Moon has a patchy surficial distribution and is not found within all available cold-trapping areas. To date it is not well understood when the ice was delivered, which has important implications for the surficial characteristics of the ice as well as for possible delivery mechanisms. Here we present absolute model ages for 20 south polar craters that host surface water ice, providing maximum estimates of the ages of surface ice contained within these craters. We quantify the amount of available cold-trapping surface area that is occupied by water ice in order to examine the relationship between the patchiness of ice within each crater and the age of each host crater. The majority of surface ice is contained in old craters ≥∼3.1 Gyr, where the majority of cold-trapping area on the pole exists. The ice is these ancient craters is very patchy in surficial distribution, occupying <11.5% of cold-trapping surface area available in individual craters. This patchy distribution of ice in old craters is likely to be due to impact bombardment and regolith overturn within the polar regions. Interestingly, surface ice is also located within smaller craters (<15 km in diameter), whose sharp crater rim crest morphologies suggest that they may be relatively young. Ice in fresh-looking craters suggests that ice has been delivered to the lunar surface more recently, perhaps from micrometeorites or through solar wind interactions with the lunar regolith. Finally, we also analyze a group of ancient craters that does not host surface water ice, even though these craters are present-day cold traps. These specific ancient craters would not have been thermally stable for the cold-trapping of water ice before the onset of true polar wander suggested by Siegler et al. (2016). If true polar wander did occur on the Moon, then the ages of ice-bearing craters presented here set an upper limit for the age of post-true polar wander hydrogen emplacement of 4.1 ± 0.1 Gyr.

Deutsch, Ariel N.↗

WPA Omnibus Award MT Wind Power Outreach

The objective of this grant was to further the development of Montana's vast wind resources for small, medium, and large scale benefits to Montana and the nation. This was accomplished through collaborative work with wind industry representatives, state and local governments, the agricultural community, and interested citizens. Through these efforts MT Dept Environmental Quality (DEQ) was able to identify development barriers, educate and inform citizens, as well as to participate in regional and national dialogue that will spur the development of wind resources. The scope of DEQ's wind outreach effort evolved over the course of this agreement from the development of the Montana Wind Working Group and traditional outreach efforts, to the current focus on working with the state's university system to deliver a workforce trained to enter the wind industry.

17 WIND ENERGY↗

High Conduction Neutron Absorber to Simulate Fast Reactor Environment in an Existing Test Reactor

A need was determined for a thermal neutron absorbing material that could be cooled in a gas reactor environment without using large amounts of a coolant that would thermalize the neutron flux. A new neutron absorbing material was developed that provided high conduction so a small amount of water would be sufficient for cooling thereby thermalizing the flux as little as possible. An irradiation experiment was performed to assess the effects of radiation and the performance of a new neutron absorbing material. Neutron fluence monitors were placed inside specially fabricated holders within a set of drop-in capsules and irradiated for up to four cycles in the Advanced Test Reactor. Following irradiation, the neutron fluence monitor wires were analyzed by gamma and x-ray spectrometry to determine the activities of the activation products. The adjusted neutron fluences were calculated and grouped into three bins – thermal, epithermal and fast to evaluate the spectral shift created by the new material. Fluence monitors were evaluated after four different irradiation periods to evaluate the effects of burn-up in the absorbing material. Additionally, activities of the three highest activity isotopes present in the specimens are given.

Reactor dosimetry, advanced test reactor, Al3Hf sh↗

Polyhedral Distortions and Unusual Magnetic Order in Spinel FeMn 2 O 4

Spinel compounds AB 2 X 4 consist of both tetrahedral (AX 4 ) and octahedral (BX 6) environments with the former forming a diamond lattice and the latter a geometrically frustrated pyrochlore lattice. Exploring the fascinating physical properties and their correlations with structural features is critical in understanding these materials. FeMn 2 O 4 has been reported to exhibit one structural transition and two successive magnetic transitions. In this work, we report the polyhedral distortions and their correlations to the structural and two magnetic transitions in FeMn 2 O 4 by employing the high-resolution neutron powder diffraction. The cation distribution is found to be ($Mn_{0.9}^{2+}Fe_{0.1}^{3+}$)$_{A}$($Mn^{3+}Fe_{0.9}^{3+}Mn_{0.1}^{2+}$)$_{B}$O 4 . While large trigonal distortion is found even in the high-temperature cubic phase, the first-order cubic-tetragonal structural transition associated with the elongation of both tetrahedra and octahedra with shared oxygen atoms along the c axis occurs at T S ≈ 750 K, driven by the Jahn–Teller effect of the orbital active B-site Mn 3+ cation. Strong magnetoelastic coupling is unveiled at T N1 ≈ 400 K as manifested by the appearance of Néel-type collinear ferrimagnetic order, an anomaly in both tetrahedral and octahedral distortions, as well as an anomalous decrease of the lattice constants c and a weak anomaly of a. Upon cooling to T N2 ≈ 65 K, it evolves to a noncollinear ferrimagnetic order accompanied by the different moments at the split magnetic sites B1 and B2. Only one-half of the B-site Mn 3+ /Fe 3+ spins, i.e., the B2-site spins in the pyrochlore lattice, are canted, which is a unique magnetic order among spinels. The canting angle between A-site and B2-site moments is ~25°, but the B1-site moment stays antiparallel to the A-site moment even at 10 K. This noncollinear order is accompanied by a modification of the O–B–O bond angles in the octahedra without significant change in lattice constants or tetrahedral/octahedral distortion parameters, indicating a distinct magnetoelastic coupling. We demonstrate distinct roles of the A-site and B-site magnetic cations in the structural and magnetic properties of FeMn 2 O 4 . Our study indicates that FeMn 2 O 4 is a wonderful platform to unveil interesting magnetic order and to investigate their correlations with polyhedral distortions and lattice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A measurement of the group velocity of scintillation light in liquid argon

The propagation velocity of scintillation light in liquid argon vg at λ ∼ 128 nm wavelength, has been measured for the first time in a dedicated experimental setup at CERN. The obtained result 1/vg = 7.46 ± 0.08 ns/m, is then used to derive the value of the refractive index (n) and the Rayleigh scattering length (L) for liquid argon in the VUV region. For λ = 128 nm we found n= 1.358 ± 0.003 and L= 99.1 ± 2.3 cm. The measured values are of interest for a variety of experiments searching for rare events like neutrino and dark matter interactions. The derived quantities also represent key information for theoretical models describing the propagation of scintillation light in liquid argon.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Regioselective Arene C−H Alkylation Enabled by Organic Photoredox Catalysis

Abstract Expanding the toolbox of C−H functionalization reactions applicable to the late‐stage modification of complex molecules is of interest in medicinal chemistry, wherein the preparation of structural variants of known pharmacophores is a key strategy for drug development. One manifold for the functionalization of aromatic molecules utilizes diazo compounds and a transition‐metal catalyst to generate a metallocarbene species, which is capable of direct insertion into an aromatic C−H bond. However, these high‐energy intermediates can often require directing groups or a large excess of substrate to achieve efficient and selective reactivity. Herein, we report that arene cation radicals generated by organic photoredox catalysis engage in formal C−H functionalization reactions with diazoacetate derivatives, furnishing sp 2 –sp 3 coupled products with moderate‐to‐good regioselectivity. In contrast to previous methods utilizing metallocarbene intermediates, this transformation does not proceed via a carbene intermediate, nor does it require the presence of a transition‐metal catalyst.

Holmberg‐Douglas, Natalie↗

Regioselective Arene C−H Alkylation Enabled by Organic Photoredox Catalysis

Abstract Expanding the toolbox of C−H functionalization reactions applicable to the late‐stage modification of complex molecules is of interest in medicinal chemistry, wherein the preparation of structural variants of known pharmacophores is a key strategy for drug development. One manifold for the functionalization of aromatic molecules utilizes diazo compounds and a transition‐metal catalyst to generate a metallocarbene species, which is capable of direct insertion into an aromatic C−H bond. However, these high‐energy intermediates can often require directing groups or a large excess of substrate to achieve efficient and selective reactivity. Herein, we report that arene cation radicals generated by organic photoredox catalysis engage in formal C−H functionalization reactions with diazoacetate derivatives, furnishing sp 2 –sp 3 coupled products with moderate‐to‐good regioselectivity. In contrast to previous methods utilizing metallocarbene intermediates, this transformation does not proceed via a carbene intermediate, nor does it require the presence of a transition‐metal catalyst.

Holmberg‐Douglas, Natalie↗

Selective acetate recognition and sensing using SWCNTs functionalized with croconamides

Croconamides are a new class of dual-hydrogen bond donors that have attracted interest in anion recognition and sensing applications due to their strong H-bond donation capability. In this work, we report chemiresistive sensors for the detection of anions based on poly(4-vinylpyridine) (P4VP)-wrapped single-walled carbon nanotubes (SWCNTs) functionalized with croconamide-based selectors. Model structures of asymmetric N,N-substituted croconamide selectors with N,N-substitutional groups of alkyl cationic pyridinium and electron-withdrawing moieties such as aniline (6) and 3,5-bis(trifluoromethyl)phenyl (7) groups were synthesized and their binding affinities for various anions were characterized using UV–vis and 1 H NMR titrations. Switchable binding of oxoanions was observed with selector 7, wherein HSO 4 – formed hydrogen bonding interactions and acetate (AcO – ) induced deprotonation of the NH- protons of the croconamide. Large sensitivity transitions were obtained toward AcO – for both P4VP-6-SWCNT (S = 95.68 ± 2.11 %) and P4VP-7-SWCNT (S = 140.91 ± 3.68 %) at 83.33 mM, which was attributed to deprotonation of the croconamide selectors upon addition of AcO – . In conclusion, three serial sensors were assembled in a sensor array that rapid and selective screening of AcO – was demonstrated against other oxoanions such as HSO 4 – and H 2 PO 4 – in real-time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Nature of Hololignin

Acid chlorite delignification is frequently used to obtain a mixture of cellulose and hemicellulose known as holocellulose from biomass. While a majority of lignin is removed after holocellulose pulping, there appears to be a minor fraction of lignin that is more resistant to acid chlorite treatment and remains in the holocellulose even after repeated delignification treatment. This type of lignin, defined as hololignin, has not been characterized, is likely to contribute to biomass recalcitrance and is clearly of fundamental interest to understand its structural characteristics. In this study, hololignin isolated from poplar holocellulose was characterized with a wide array of techniques including GPC, quantitative 13 C, DEPT-135, HSQC, and 31 P NMR. The results were then compared to those from milled wood lignin (MWL), the representative native lignin isolated from poplar. NMR analysis demonstrated a depletion of cinnamyl aldehyde, acetyl group, and decrease of p-hydroxybenzoate structural units in hololignin. An enrichment of condensed structures in hololignin was observed. Hololignin also had a significantly lower molecular weight than MWL. Finally, hololignin is relatively enriched in guaiacyl units and has a lower S/G ratio, lower β-O-4 ether linkages, fewer aliphatic and phenolic hydroxyl groups, and more carboxylic acid groups than MWL.

09 BIOMASS FUELS↗

Topological and thermoelectric properties of double antiperovskite pnictides

Doubling the perovskite cell (double perovskite) has been found to open new possibilities for engineering functional materials, magnetic materials in particular. This route should be applicable to the antiperovskite (aPV) class. In the pnictide based double aPV (2aPV) class introduced here magnetism is very rare, and we address them as new topological materials, possibly with thermoelectric interest. We have found that the 2aPV supercell provides a systematically larger band gap that can serve to inhibit bulk conductivity, and also large spin–orbit coupling for band inversion. We present examples from a broad study of double antiperovskites focusing on the X 6 AA'B 2 configuration, where X is the alkaline earth element and A and B are the group 5A pnictogens. We find that an 'extended s' state at the valence band minimum, described alternatively as a cation valence state or a modulated interstitial planewave state, plays a crucial role in both topological and thermoelectric properties. Several of these compounds may house topological phases, while transport calculations indicate they may also find themselves useful in thermoelectric applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Embedded ensemble propagation for improving performance, portability, and scalability of uncertainty quantification on emerging computational architectures

In this study, quantifying simulation uncertainties is a critical component of rigorous predictive simulation. A key component of this is forward propagation of uncertainties in simulation input data to output quantities of interest. Typical approaches involve repeated sampling of the simulation over the uncertain input data, and can require numerous samples when accurately propagating uncertainties from large numbers of sources. Often simulation processes from sample to sample are similar and much of the data generated from each sample evaluation could be reused. We explore a new method for implementing sampling methods that simultaneously propagates groups of samples together in an embedded fashion, which we call embedded ensemble propagation. We show how this approach takes advantage of properties of modern computer architectures to improve performance by enabling reuse between samples, reducing memory bandwidth requirements, improving memory access patterns, improving opportunities for fine-grained parallelization, and reducing communication costs. We describe a software technique for implementing embedded ensemble propagation based on the use of C++ templates and describe its integration with various scientific computing libraries within Trilinos. We demonstrate improved performance, portability and scalability for the approach applied to the simulation of partial differential equations on a variety of CPU, GPU, and accelerator architectures, including up to 131,072 cores on a Cray XK7 (Titan).

97 MATHEMATICS AND COMPUTING↗