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

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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Radar Retrieval Evaluation and Investigation of Dendritic Growth Layer Polarimetric Signatures in a Winter Storm

Abstract This study evaluates ice particle size distribution and aspect ratio φ Multi-Radar Multi-Sensor (MRMS) dual-polarization radar retrievals through a direct comparison with two legs of observational aircraft data obtained during a winter storm case from the Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Snowstorms (IMPACTS) campaign. In situ cloud probes, satellite, and MRMS observations illustrate that the often-observed K dp and Z DR enhancement regions in the dendritic growth layer can either indicate a local number concentration increase of dry ice particles or the presence of ice particles mixed with a significant number of supercooled liquid droplets. Relative to in situ measurements, MRMS retrievals on average underestimated mean volume diameters by 50% and overestimated number concentrations by over 100%. IWC retrievals using Z DR and K dp within the dendritic growth layer were minimally biased relative to in situ calculations where retrievals yielded −2% median relative error for the entire aircraft leg. Incorporating φ retrievals decreased both the magnitude and spread of polarimetric retrievals below the dendritic growth layer. While φ radar retrievals suggest that observed dendritic growth layer particles were nonspherical (0.1 ≤ φ ≤ 0.2), in situ projected aspect ratios, idealized numerical simulations, and habit classifications from cloud probe images suggest that the population mean φ was generally much higher. Coordinated aircraft radar reflectivity with in situ observations suggests that the MRMS systematically underestimated reflectivity and could not resolve local peaks in mean volume diameter sizes. These results highlight the need to consider particle assumptions and radar limitations when performing retrievals. significance statement Developing snow is often detectable using weather radars. Meteorologists combine these radar measurements with mathematical equations to study how snow forms in order to determine how much snow will fall. This study evaluates current methods for estimating the total number and mass, sizes, and shapes of snowflakes from radar using images of individual snowflakes taken during two aircraft legs. Radar estimates of snowflake properties were most consistent with aircraft data inside regions with prominent radar signatures. However, radar estimates of snowflake shapes were not consistent with observed shapes estimated from the snowflake images. Although additional research is needed, these results bolster understanding of snow-growth physics and uncertainties between radar measurements and snow production that can improve future snowfall forecasting.

Meteorology & Atmospheric Sciences↗
DOE OSTI2015

The reduced genomes of Parcubacteria (OD1) contain signatures of a symbiotic lifestyle

Candidate phylum OD1 bacteria (also referred to as Parcubacteria) have been identified in broad range of anoxic environments through community survey analysis. Although none of these species have been isolated in the laboratory, several genome sequences have been reconstructed from metagenomic sequence data and single-cell sequencing. The organisms have small (generally <1 Mb) genomes with severely reduced metabolic capabilities. We have reconstructed 8 partial to near-complete OD1 genomes from oxic groundwater samples, and compared them against existing genomic data. The conserved core gene set comprises 202 genes, or ~28% of the genomic complement. ‘Housekeeping’ genes and genes for biosynthesis of peptidoglycan and Type IV pilus production are conserved. Gene sets for biosynthesis of cofactors, amino acids, nucleotides and fatty acids are absent entirely or greatly reduced. The only aspects of energy metabolism conserved are the non-oxidative branch of the pentose-phosphate shunt and central glycolysis. These organisms also lack some activities conserved in almost all other known bacterial genomes, including signal recognition particle, pseudouridine synthase A, and FAD synthase. Pan-genome analysis indicates a broad genotypic diversity and perhaps a highly fluid gene complement, indicating historical adaptation to a wide range of growth environments and a high degree of specialization. The genomes were examined for signatures suggesting either a free-living, streamlined lifestyle or a symbiotic lifestyle. The lack of biosynthetic capabilities and DNA repair, along with the presence of potential attachment and adhesion proteins suggest the Parcubacteria are ectosymbionts or parasites of other organisms. The wide diversity of genes that potentially mediate cell-cell contact suggests a broad range of partner/prey organisms across the phylum.

candidate phyla↗
DOE OSTI2022

Integrated Risk-Informed Condition Based Maintenance Capability and Automated Platform: Technical Report 3

This project is a collaborative research effort between PKMJ Technical Services LLC, Idaho National Laboratory, and Public Service Enterprise Group (PSEG) Nuclear, LLC. The collaboration, led by PKMJ Technical Services LLC, is part of the industry Funding Opportunity Announcement (FOA) award under Advanced Nuclear Technology Development FOA #DE-FOA-0001817. The pilot demonstration focuses on the Circulating Water System (CWS), an important non-safety-related system that impacts the power generation capability of the plant site. Achieving riskinformed condition-based Predictive Maintenance (PdM) on the CWS will result in significant economic benefits, and the developed methodologies can also be applied to other plant systems. This approach supports an industry goal of ensuring that nuclear power generation remains a viable, economically competitive option in the energy market. Operation and Maintenance (O&M) costs include labor-intensive Preventive Maintenance (PM) programs that involve manually performed inspection, calibration, testing, and maintenance of plant assets at periodic frequencies as well as time-based replacement of assets, irrespective of condition. This project offers an alternative by focusing on riskinformed condition-based maintenance to reduce O&M costs while still maintaining plant health and safety. This report summarizes the progress made toward achieving a risk-informed condition-based maintenance approach. The research and development (R&D) activities presented in this report are associated with development of a nuclear digital platform application, integration of fault signature models, and automated work management processes. The fault signatures and Machine Learning (ML) models are key components in predictive analytics and are heavily leveraged to improve the insights received by existing plant process data sources. Availability of the analysis results within a centralized digital platform enhances efficiency by enabling automation of activities otherwise performed manually. Personnel are presented with enhanced information that can be used to evaluate plant status and risks. Utilizing the enhancements to data analytics supports automated responses, (i.e. issuance of work orders) to address developing equipment faults and thus preventing forced, unplanned shutdowns of components or systems. The R&D activities described within this report lay the foundation for developing and demonstrating a digital automated platform to centralize the implementation of condition monitoring and response to equipment faults. The digital automated platform is cloud-based and designed to enable improved efficiency of plant processes. The digital platform includes content related to maintenance optimization, fault signature analysis, and plant records, which can all be used to support efficiencies when located within a centralized digital platform. These efficiencies could be further enhanced when deployed through industry-wide deployment of the technology to improve insights and processes based upon economies of scale.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

The THESEUS space mission concept: science case, design and expected performances

THESEUS is a space mission concept aimed at exploiting Gamma-Ray Bursts for investigating the early Universe and at providing a substantial advancement of multi-messenger and time-domain astrophysics. These goals will be achieved through a unique combination of instruments allowing GRB and X-ray transient detection over a broad field of view (more than 1sr) with 0.5–1 arcmin localization, an energy band extending from several MeV down to 0.3 keV and high sensitivity to transient sources in the soft X-ray domain, as well as on-board prompt (few minutes) follow-up with a 0.7 m class IR telescope with both imaging and spectroscopic capabilities. THESEUS will be perfectly suited for addressing the main open issues in cosmology such as, e.g., star formation rate and metallicity evolution of the inter-stellar and intra-galactic medium up to redshift ~10, signatures of Pop III stars, sources and physics of re-ionization, and the faint end of the galaxy luminosity function. In addition, it will provide unprecedented capability to monitor the X-ray variable sky, thus detecting, localizing, and identifying the electromagnetic counterparts to sources of gravitational radiation, which may be routinely detected in the late ’20s/early ’30s by next generation facilities like aLIGO/ aVirgo, eLISA, KAGRA, and Einstein Telescope. In conclusion, THESEUS will also provide powerful synergies with the next generation of multi-wavelength observatories (e.g., LSST, ELT, SKA, CTA, ATHENA).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Predictions for microlensing planetary events from core accretion theory

We conduct the first microlensing simulation in the context of a planet formation model. The planet population is taken from the Ida and Lin core accretion model for 0.3 M {sub ☉} stars. With 6690 microlensing events, we find that for a simplified Korea Microlensing Telescopes Network (KMTNet), the fraction of planetary events is 2.9%, out of which 5.5% show multiple-planet signatures. The numbers of super-Earths, super-Neptunes, and super-Jupiters detected are expected to be almost equal. Our simulation shows that high-magnification events and massive planets are favored by planet detections, which is consistent with previous expectation. However, we notice that extremely high-magnification events are less sensitive to planets, which is possibly because the 10 minute sampling of KMTNet is not intensive enough to capture the subtle anomalies that occur near the peak. This suggests that while KMTNet observations can be systematically analyzed without reference to any follow-up data, follow-up observations will be essential in extracting the full science potential of very high magnification events. The uniformly high-cadence observations expected for KMTNet also result in ∼55% of all detected planets not being caustic crossing, and more low-mass planets even down to Mars mass being detected via planetary caustics. We also find that the distributions of orbital inclinations and planet mass ratios in multiple-planet events agree with the intrinsic distributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Tetracyanoethylene oxide-functionalized graphene and graphite characterized by Raman and Auger spectroscopy

The tetracyanoethylene oxide (TCNEO) functionalization of chemical vapor deposition grown large area graphene and graphite was performed using reaction of TCNEO with carbon surface in chlorobenzene. The successful functionalization has been confirmed by Raman and Auger spectroscopy, and by numerical modeling of the structure and vibrational modes of TCNEO-functionalized graphene. Raman spectra of TCNEO-functionalized graphene and graphite show several groups of lines corresponding to vibrations of attached carbonyl ylide. Lastly, one of key signatures of TCNEO attachment is the high intensity Raman band at ~1450 cm ₋1 , which represents the C-C=C in plane vibrations in functionalization-distorted graphene. We find Raman spectra indicate the existence of central (pristine) attachment of TCNEO to graphene surface.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Wnt inhibition is dysregulated in gliomas and its re-establishment inhibits proliferation and tumor sphere formation

Evidence indicates that the growth of glioblastoma (GBM), the most common and malignant primary brain cancer, is driven by glioma stem cells (GSCs) resistant to current treatment. As Wnt-signaling is pivotal in stem cell maintenance, we wanted to explore its role in GSCs with the objective of finding distinct signaling mechanisms that could serve as potential therapeutic targets. We compared gene expression in GSCs (n=9) and neural stem cells from the adult human brain (ahNSC; n=3) to identify dysregulated genes in the Wnt signaling pathway. This identified a six-gene Wnt signature present in all nine primary GSC cultures, and the combined expression of three of these genes (SFRP1, SFRP4 and FZD7) reduced median survival of glioma patients from 38 to 17 months. Treatment with recombinant SFRP1 protein in primary cell cultures downregulated nuclear β-catenin and decreased in vitro proliferation and sphere formation in a dose-dependent manner. Furthermore, expressional and functional analysis of SFRP1-treated GSCs revealed that SFRP1 halts cell cycling and induces apoptosis. These observations demonstrate that Wnt signaling is dysregulated in GSC, and that inhibition of the Wnt pathway could serve as a therapeutic strategy in the treatment of GBM. - Highlights: • A comparison of GSCs to ahNSCs reveals Wnt-pathway dysregulation. • A signature of six Wnt-genes is present in all nine primary tumors. • The expression of three Wnt-genes reduces median survival from 38 to 17 months. • Treatment with SFRP1 decreases in vitro proliferation and sphere formation. • SFRP1 regulates GSC tumorigenicity through regulation of cell cycle and apoptosis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Borg extrachromosomal elements of methane-oxidizing archaea have conserved and expressed genetic repertoires

Borgs are huge extrachromosomal elements (ECE) of anaerobic methane-consuming “Candidatus Methanoperedens” archaea. Here, we used nanopore sequencing to validate published complete genomes curated from short reads and to reconstruct new genomes. 13 complete and four near-complete linear genomes share 40 genes that define a largely syntenous genome backbone. We use these conserved genes to identify new Borgs from peatland soil and to delineate Borg phylogeny, revealing two major clades. Remarkably, Borg genes encoding nanowire-like electron-transferring cytochromes and cell surface proteins are more highly expressed than those of host Methanoperedens, indicating that Borgs augment the Methanoperedens activity in situ. We reconstructed the first complete 4.00 Mbp genome for a Methanoperedens that is inferred to be a Borg host and predicted its methylation motifs, which differ from pervasive TC and CC methylation motifs of the Borgs. Thus, methylation may enable Methanoperedens to distinguish their genomes from those of Borgs. Very high Borg to Methanoperedens ratios and structural predictions suggest that Borgs may be capable of encapsulation. The findings clearly define Borgs as a distinct class of ECE with shared genomic signatures, establish their diversification from a common ancestor with genetic inheritance, and raise the possibility of periodic existence outside of host cells.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solution

Significance Increasing global population, urbanization, and climate change pose tremendous constraints on water availability. While membrane processes offer attractive, energy-efficient options, transformative advances in membrane technology are needed to enable reuse of poor-quality waters from diverse sources. This work brings fundamental understanding of solute–surface interactions to membrane phenomena, including selectivity and fouling. Molecular simulations reveal limitations of traditional predictive measures of solute–surface partitioning, suggesting alternative thermodynamic signatures for solute binding that highlight the contextual nature of hydrophobicity. An inverse design algorithm provides a tool to pattern membrane nanoscale chemistry to optimize solute affinity and selectivity. This work demonstrates how simulations can inform practical materials design for sustainable water treatment and, more broadly, many technologies involving water-mediated solute–surface interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Warming and elevated CO 2 promote rapid incorporation and degradation of plant‐derived organic matter in an ombrotrophic peatland

Abstract Rising temperatures have the potential to directly affect carbon cycling in peatlands by enhancing organic matter (OM) decomposition, contributing to the release of CO 2 and CH 4 to the atmosphere. In turn, increasing atmospheric CO 2 concentration may stimulate photosynthesis, potentially increasing plant litter inputs belowground and transferring carbon from the atmosphere into terrestrial ecosystems. Key questions remain about the magnitude and rate of these interacting and opposing environmental change drivers. Here, we assess the incorporation and degradation of plant‐ and microbe‐derived OM in an ombrotrophic peatland after 4 years of whole‐ecosystem warming (+0, +2.25, +4.5, +6.75 and +9°C) and two years of elevated CO 2 manipulation (500 ppm above ambient). We show that OM molecular composition was substantially altered in the aerobic acrotelm, highlighting the sensitivity of acrotelm carbon to rising temperatures and atmospheric CO 2 concentration. While warming accelerated OM decomposition under ambient CO 2 , new carbon incorporation into peat increased in warming × elevated CO 2 treatments for both plant‐ and microbe‐derived OM. Using the isotopic signature of the applied CO 2 enrichment as a label for recently photosynthesized OM, our data demonstrate that new plant inputs have been rapidly incorporated into peat carbon. Our results suggest that under current hydrological conditions, rising temperatures and atmospheric CO 2 levels will likely offset each other in boreal peatlands.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Entanglement signatures of emergent Dirac fermions: Kagome spin liquid and quantum criticality

Quantum spin liquids (QSLs) are exotic phases of matter that host fractionalized excitations. It is difficult for local probes to characterize QSL, whereas quantum entanglement can serve as a powerful diagnostic tool due to its nonlocality. The kagome antiferromagnetic Heisenberg model is one of the most studied and experimentally relevant models for QSL, but its solution remains under debate. In this work, we perform a numerical Aharonov-Bohm experiment on this model and uncover universal features of the entanglement entropy. By means of the density matrix renormalization group, we reveal the entanglement signatures of emergent Dirac spinons, which are the fractionalized excitations of the QSL. This scheme provides qualitative insights into the nature of kagome QSL and can be used to study other quantum states of matter. As a concrete example, we also benchmark our methods on an interacting quantum critical point between a Dirac semimetal and a charge-ordered phase.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Direct Extraction of Lanthanide Oxides and Nitrates in Tributyl Phosphate

This work investigated the dissolution rate of lanthanide oxides and nitrates in a 30 vol % TBP-n-paraffin solvent (pre-equilibrated with various nitric acid concentrations) using visible (Vis) spectroscopy over time. Some dissolution mechanics were observed, such as an aqueous layer forming, considerably longer dissolution times for the heavier lanthanides (hours) vs. the lighter lanthanides (minutes), and the impacts of mixing lanthanide oxides or nitrates during dissolution. Neodymium, samarium, holmium, and erbium were selected due to their unique spectroscopic signatures and to represent the lighter (neodymium and samarium) and heavier (holmium and erbium) lanthanides. Even though europium does not have a strong absorbance in the range studied, europium was used in some instances to also represent the lighter lanthanides. Cerium oxide was used to representant dissolution of tetravalent lanthanides.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Metaproteomics Identifies the Protein Machinery Involved in Metal and Radionuclide Reduction in Subsurface Microbiomes and Elucidates Mechanisms and U(VI) Reduction Immobilization

The overall goal for this funded project was to develop and exploit environmental metaproteomics tools to identify biomarkers for monitoring microbial activity affecting U speciation at U-contaminated sites, correlate metaproteomics profiles with geochemical parameters and U(VI) reduction activity (or lack thereof), elucidate mechanisms contributing to U(VI) reduction, and provide remediation project managers with additional information to make science-based site management decisions for achieving cleanup goals more efficiently. Although significant progress has been made in elucidating the microbiology contribution to metal and radionuclide reduction, the cellular components, pathway(s), and mechanisms involved in U trans-formation remain poorly understood. Recent advances in (meta)proteomics technology enable detailed studies of complex samples, including environmental samples, which differ between sites and even show considerable variability within the same site (e.g., the Oak Ridge IFRC site). Additionally, site-specific geochemical conditions affect microbial activity and function, suggesting generalized assessment and interpretations may not suffice. This research effort integrated current understanding of the microbiology and biochemistry of U(VI) reduction and capitalize on advances in proteomics technology made over the past few years. Field-related analyses used Oak Ridge IFRC field ground water samples from locations where slow-release substrate biostimulation has been implemented to accelerate in situ U(VI) reduction rates. Our overarching hypothesis was that the metabolic signature in environmental samples, as deciphered by the metaproteome measurements, would show a relationship with U(VI) reduction activity. Since metaproteomic and metagenomic characterizations were computationally challenging and time-consuming, we used a tiered approach that combines database mining, controlled laboratory studies, U(VI) reduction activity measurements, phylogenetic analyses, and gene expression studies to support the metaproteomics characterizations. Growth experiments of target microorganisms (Anaeromyxobacter, Shewanella, Geobacter) revealed tremendous respiratory versatility, as evidenced by the ability to utilize a range of electron donors (e.g. acetate, hydrogen, pyruvate, lactate, succinate, formate) and electron acceptors (e.g. nitrate, fumarate, halogenated phenols, ferric iron, nitrous oxide, etc.). In particular, the dissimilatory metabolic reduction of metals, including radionuclides, by target microorganisms spurred interest for in situ bioremediation of contaminated soils and sediments. Distinct c-type cytochrome expression patterns were observed in target microorganisms grown with the different electron acceptors. For each target microorganism, the core proteome covered almost all metabolic pathways represented by their corresponding pan-proteomes. Unique proteins were detected for each target microorganism, and their expression and possible functionalities were linked to specific growth conditions through proteomics measurements. Optimization of the proteomic tools included in-depth comprehensive metagenomic and metaproteomic analyses on a limited number of samples. The optimized metaproteomic analyses were then applied to Oak Ridge IFRC field samples from the slow-release substrate biostimulation. Metaproteomic analysis and pathway mapping results demonstrated the distinct effects of metal and non-metal growth conditions on the proteome expression. With these metaproteomic tools, we identified which previously hypothetical metabolic pathways were active during the analyzed time points of the slow release substrate biostimulation. Thus, we demonstrated the utility of these tools for site assessment, efficient implementation of bioremediation and long-term monitoring. This research of detailed protein analysis linked with metal reduction activity did (1) show that c-type cytochrome isoforms, previously associated with radionuclide reduction activity, are suitable biomarkers, (2) identify new biomarker targets for site assessment and bioremediation monitoring, and (3) provide new information about specific proteins and mechanisms involved in U(VI) reduction and immobilization. This expanded metagenomic and metaproteomic toolbox contributed to implementing science-driven site management with broad benefits to the DOE mission.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Multi-phenomenology Yield Characterization

This report serves as the first delivery of a four-year applied science effort to transform and advance the error bounds for the yield estimate of an explosion. Each year’s delivery will be in this form, culminating in the submission of this work for peer review to a scientific journal. Importantly, the yearly progress reports can then also be viewed as expanding drafts working towards a formal journal article submission. For the first tranche of funding, we collaborated with Air Force Technical Applications Center (AFTAC) scientists to identify unclassified real-world data that demonstrate and validate our advanced error propagation methods. Collaboration includes visits to AFTAC and telecons. For this development, we illustrate the fusion of seismic, acoustic, optical, and surface effect signatures from an explosion. The mathematics and code being adapted to this specific application (Williams et al., 2021) involves physics models of multiple sensor signatures. We have also identified related physics models and have integrated them into code. Current methods of underground explosion yield estimation for the Threshold Test Ban Treaty (TTBT) have served the US treaty monitoring mission well for decades. A research objective of the Defense Nuclear Nonproliferation Research and Development (DNN R&D) office of the National Nuclear Security Administration (NNSA) has always been to provide new technical capabilities for monitoring lower thresholds. The general model and error propagation code to be developed in this project is based on significant advances in error modeling and propagation needed to analyze data at lower detection thresholds. The second tranche of funding for this project began on May 1, 2022, and planned work for the second tranche includes: i) completing the integration of physical model code into the general error model framework; this code accommodates a wide range of linear/nonlinear source models, fixed/ random effects, and frequentist/Bayesian analyses (the purpose of which is not to dictate to users how to analyze data, but instead to allow users the maximum flexibility in their work); ii) illustrative application of code to identified data, and; iii) initial planning with AFTAC researchers on delivery of code to the Common Development Environment at AFTAC, and continued writing of the planned final journal article submission (year two of this progress report), with particular emphasis on descriptions of data identified for this effort.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2006

Grism Performance for Mid-IR (5-40 microns) Spectroscopy

Grisms provide a straightforward method to transform an imager into a spectrometer with little change to the original imaging optics. This paper addresses the performance of a suite of grisms as part of an Astrobiology Science and Instrument Development (ASTID) Program to implement a moderate resolution spectroscopic capability to the mid/far-IR facility instrument FORCAST for the Stratospheric Observatory For Infrared Astronomy (SOFIA) [see accompanying abstract by Adams et al.]. A moderate resolution mid-IR spectrometer on SOFIA will offer advantages not available to either ground or space-based instruments after the Spitzer Space Telescope ceases operation in approx. 2007. SOFIA will begin operations in 2007 and will have an operational lifetime of approx. 20 years. From aircraft altitudes, it will be possible to cover a range of wavelengths, particularly in the critical 5-9 micron band, where detection of astrobiologically interesting molecules have key spectral signatures, that are not accessible from the ground. This grism suite consists of six grisms: four monolithic Si grisms [see accompanying abstract by Mar et al.] and two KRS-5 grisms. These devices will allow long slit low-resolution and short slit, cross-dispersed high-resolution spectroscopic modes selectable by simply moving the camera filter wheels. This configuration will enable observing programs to gather images and spectra in a single SOFIA flight. The four silicon grisms, whose performance is highlighted in this paper, will operate in the following wavelength ranges: 5-8, 17-28, and 28-37 microns. In the 5-8 micron range, R=1200 is achievable for a 2 arcsecond slit using the grism as a cross-disperser. For the 17-28 and 28-37 micron ranges, the resolving powers are R approx. 130, 250 when used in low orders with a slit of 3 arcseconds. The silicon grisms demonstrate a new family of dispersive elements with good optical performance for spectroscopy from 1.2-8 micron and beyond 18 microns. Furthermore, the FORCAST grism modes are close in wavelength coverage and resolving power to the Spitzer Infrared Spectrograph (IRS), so that among other possible observations, SOFIA can now enable follow-up studies of the brighter objects that Spitzer has observed and enable studies of sources that were too bright for observation with Spitzer.

Ennico, K. A.↗
DOE OSTI2015

Time series monitoring of water quality and microalgal diversity in a tropical bay under intense anthropogenic interference (SW coast of the Bay of Bengal, India)

In recent decades, material fluxes to coastal waters from various land based anthropogenic activities have significantly been enhanced around the globe which can considerably impact the coastal water quality and ecosystem health. Hence, there is a critical need to understand the links between anthropogenic activities in watersheds and its health. Kakinada Bay is situated at the SW part of the Bay of Bengal, near to the second largest mangrove cover in India with several fertilizer industries along its bank and could be highly vulnerable to different types of pollutants. However, virtually, no data is available so far reporting its physicochemical status and microalgal diversity at this bay. In order to fill this gap, we conducted three time series observations at a fixed station during January, December and June 2012, at this bay measuring more than 15 physical, chemical and biological parameters in every 3 h over a period of 36 h in both surface (0 m) and subsurface (4.5 m) waters. Our results clearly depict a strong seasonality between three sampling months; however, any abnormal values of nutrients, biological oxygen demand or dissolved oxygen level was not observed. A Skeletonema costatum bloom was observed in December which was probably influenced by low saline, high turbid and high Si input through the river discharge. Otherwise, smaller diatoms like Thalassiosira decipiens, Thalassiothrix frauenfeldii, and Thalassionema nitzschioides dominated the bay. It is likely that the material loading can be high at the point sources due to intense anthropogenic activities, however, gets diluted with biological, chemical and physical processes in the offshore waters. - Highlights: • No signature of enormous nutrient loading was observed over the diel cycle • Dissolved oxygen and BOD concentrations did not show any exceptional trend • Diatoms dominated more than 90% of the total phytoplankton communities • A Skeletonema Costatum (a centric diatom) bloom was noticed during December • No indication of pollution was noticed in terms of the parameters measured.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Radiative Heat Transfer and 2D Transition Metal Dichalcogenide Materials

Here we study the radiative heat transfer power in the family of transition metal dichalcogenide monolayers in their H- and T-symmetries. For this purpose, the electronic and optical properties computed from first-principles are used in effective models to understand the emerging scaling laws for metals and semiconductors as well as specific material signatures as control knobs for radiative heat transfer. Our combined approach of analytical modeling with properties from ab initio simulations can be used for other materials families to build a materials database for radiative heat transfer.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Cation-Cation Interactions in [(UO2)2(OH)n](4-n) Complexes

The structures and bonding of gas-phase [(UO2)2(OH)n]4-n (n=2-6) complexes have been studied using density functional theory (DFT), MP2 and CCSD(T) methods with particular emphasis on ground state structures featuring cation-cation interactions (CCIs) between the uranyl groups. An interesting trend is observed in the stabilities of members of this series of complexes. The structures of [(UO2)2(OH)2]2+, [(UO2)2(OH)4] and [(UO2)2(OH)6]2- featuring CCIs are found at higher energies (by 3-20 kcal/mol) in comparison to their conventional μ2-dihydroxo structures. In contrast, the CCI structures of [(UO2)2(OH)3]+ and [(UO2)2(OH)5]- are respectively almost degenerate with and lower in energy than the structures with the μ2-dihydroxo format. The origin of this trend lies in the ‘symmetry’-based need to balance the coordination numbers and effective atomic charges of each uranium center. The calculated IR vibrational frequencies provide signature probes that can be used in differentiating the lowenergy structures and in experimentally confirming the existence of the structures featuring CCIs. Analysis of the bonding in the structures of [(UO2)2(OH)3]+ and [(UO2)2(OH)5]- shows that the CCIs and bridging hydroxo between the dioxo-uranium units are mainly electrostatic in nature.

Complexes↗