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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 37 records · Page 2

The Corrective Maintenance Paradigm Shift at Hanford's Tank Farms - 20077

Hanford's Tank Farms facilities have been used to safely store waste for over 70 years, with the first single-shell tanks being constructed in 1943. Tank Farm facilities consist of 149 single-shell tanks, 28 double-shell tanks, an evaporator facility, and wastewater treatment facilities. Tank Farm facilities are aging, with a tremendous corrective maintenance burden on the Tank Farm contractor. The mission of Tank Farm facilities is soon changing from waste storage to waste staging for the Hanford Waste Treatment and Immobilization Plant (WTP). WTP operations will demand a significant increase in Tank Farm facility operations, in which corrective maintenance outage windows will shrink drastically. This realization has forced the Tank Farm contractor to consider a paradigm shift in Tank Farm facilities Maintenance planning, and the use of reliability Engineering tools. The Tank Farm Production Operations Engineering Cognizant System Engineering (CSE) organization has led the way in motivating this paradigm shift. This shift has been realized through the use of: 1) technical exchange with other Department of Energy (DOE) contractors to develop improvements in the CSE program, 2) a shift from the use of lagging to leading system health indicators, and 3) a Plant Health Committee to unite Engineering, Operations, and Maintenance personnel toward a productive maintenance strategy. The CSE organization has held several technical exchanges with other DOE contractors to discuss CSE concepts, and how to better maintain aging infrastructure. The technical exchange with other contractors has greatly reduced the time required to make improvements in the Tank Farm CSE program. Other DOE contractors have already faced issues surrounding aging infrastructure, and have vast experience in improving the reliability and usable life of structures and components in nuclear facilities. The past CSE program used lagging health indicators to determine the health of systems. The key lagging indicator used to determine system health was availability, which is the percentage of time that a facility was ready for operation compared to the time the facility was demanded for operation. Availability was a good indicator of health in the waste storage mission of Tank Farms, where safe storage was the most important function of the facility, and where maintenance outage windows were typically long-duration. In current and future operations, outage windows are reducing, resulting in the need for much more reliable systems. Systems that have had high availability may suddenly become inoperable due to a failed component or sub-system. In several instances, the use of availability as an indicator of system health failed to predict system/equipment failure before its occurrence. In discussions with other DOE contractors, a set of reliability tools, including leading indicators of health, has been implemented in the CSE program. This primarily involves the use of failure modes and effects analysis and the study of equipment failure to develop system monitoring plans that focus on trending data to detect oncoming equipment failure ahead of time. In addition, the use of a Plant Health Committee has added significantly to the paradigm shift from a corrective maintenance philosophy to the use of predictive and preventive maintenance. The Plant Health Committee is a chartered team consisting of Engineering, Operations, and Maintenance personnel. CSEs use this forum to present the results of their performance monitoring, including the presentation of health via leading health indicators. The most positive aspect of this committee is the communication that it creates within these critical organizations. The Operations and Maintenance organization benefit from focusing maintenance on the reliability-centered focus provided by Engineering. Engineering benefits from the operational experience of the Operations organization and from the failure data that can be provided by Maintenance personnel. The continued use of the Plant Health Committee is expected to further decrease maintenance outage times, in better support of oncoming 24/7 operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Crew Selection and Training

This research addressed a number of issues relevant to the performance of teams in demanding environments. Initial work, conducted in the aviation analog environment, focused on developing new measures of performance related attitudes and behaviors. The attitude measures were used to assess acceptance of concepts related to effective teamwork and personal capabilities under stress. The behavioral measures were used to evaluate the effectiveness of flight crews operating in commercial aviation. Assessment of team issues in aviation led further to the evaluation and development of training to enhance team performance. Much of the work addressed evaluation of the effectiveness of such training, which has become known as Crew Resource Management (CRM). A second line of investigation was into personality characteristics that predict performance in challenging environments such as aviation and space. A third line of investigation of team performance grew out of the study of flight crews in different organizations. This led to the development of a theoretical model of crew performance that included not only individual attributes such as personality and ability, but also organizational and national culture. A final line of investigation involved beginning to assess whether the methodologies and measures developed for the aviation analog could be applied to another domain -- the performance of medical teams working in the operating room.

Helmreich, Robert L.↗

Light Extraction System for OLED (LESO)

The DOE Office of Energy Efficiency and Renewable Energy is funding development of Solid-State Lighting (SSL) to replace incandescent and fluorescent technologies. A more aggressive innovation schedule could achieve site electricity consumption reductions from current projections of 40% to 60% by the year 2030 when compared to the no-LED scenario in the United States. These increased reductions would total an increase in savings of 395 TWh of energy. Based on preliminary data showing improvements of 2x in extraction efficiency with diffuser films, we will optimize surface relief structures to maximize the light extraction efficiency of OLED devices and test the optimized structures in prototype samples. To address the DOE desire for rapid SSL acceptance, Luminit, LLC, proposes to develop a new Light Extraction System for OLED (LESO) implemented in an ultraviolet (UV)-curable HRI polymer. The LESO uses optimized surface relief structures in high-index and low-index interfaces, which will significantly increase light extraction from the OLEDs. The LESO will significantly reduce environmental pollution compared to incandescent, compact fluorescent (CFL), and LED lamps. It will do so at a low price compared to other technologies, and with extremely high quality lighting (nearly perfect color matching, for example). Through LESO adoption, both CO 2 and other pollutants will be reduced by hundreds of megatons annually.

47 OTHER INSTRUMENTATION↗

Incorporating Rich Mesoporosity into a Ceria-Based Catalyst via Mechanochemistry

Ceria-based materials possessing mesoporous structures afford higher activity than the corresponding bulk materials in CO oxidation and other catalytic applications, because of the wide pore channel and high surface area. The development of a direct, template-free, and scalable technology for directing porosity inside ceriabased materials is highly welcome. Here in this paper, a family of mesoporous transition-metaldoped ceria catalysts with specific surface areas up to 122 m 2 g -1 is constructed by mechanochemical grinding. No templates, additives, or solvents are needed in this process, while the mechanochemistry-mediated restructuring and the decomposing of the organic group led to plentiful mesopores. Interestingly, the copper species are evenly dispersed in the ceria matrix at the atomic scale, as observed in high resolution scanning transmission electron microscopy in high angle annular dark field. The copper-doped ceria materials show good activity in the CO oxidation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uncovering DNA-PKcs ancient phylogeny, unique sequence motifs and insights for human disease

DNA-dependent protein kinase catalytic subunit (DNA-PKcs) is a key member of the phosphatidylinositol-3 kinase-like (PIKK) family of protein kinases with critical roles in DNA-double strand break repair, transcription, metastasis, mitosis, RNA processing, and innate and adaptive immunity. The absence of DNA-PKcs from many model organisms has led to the assumption that DNA-PKcs is a vertebrate-specific PIKK. Here, we find that DNA-PKcs is widely distributed in invertebrates, fungi, plants, and protists, and that threonines 2609, 2638, and 2647 of the ABCDE cluster of phosphorylation sites are highly conserved amongst most Eukaryotes. Furthermore, we identify highly conserved amino acid sequence motifs and domains that are characteristic of DNA-PKcs relative to other PIKKs. These include residues in the Forehead domain and a novel motif we have termed YRPD, located in an α helix C-terminal to the ABCDE phosphorylation site loop. Combining sequence with biochemistry plus structural data on human DNA-PKcs unveils conserved sequence and conformational features with functional insights and implications. The defined generally progressive DNA-PKcs sequence diversification uncovers conserved functionality supported by Evolutionary Trace analysis, suggesting that for many organisms both functional sites and evolutionary pressures remain identical due to fundamental cell biology. The mining of cancer genomic data and germline mutations causing human inherited disease reveal that robust DNA-PKcs activity in tumors is detrimental to patient survival, whereas germline mutations compromising function are linked to severe immunodeficiency and neuronal degeneration. We anticipate that these collective results will enable ongoing DNA-PKcs functional analyses with biological and medical implications.

59 BASIC BIOLOGICAL SCIENCES↗

Exosome-mediated miR-222 transferring: An insight into NF-κB-mediated breast cancer metastasis

Highlights: • Exosomal miR-222 is highly expressed in BCa patients with lymphatic metastasis. • miR-222 promotes the aggressivity of BCa cells in vitro and in vivo. • miR-222 leads to the activation of NF-κB signal pathway by targeting PDLIM2. • Exosome-transferred miR-222 promotes migration and invasion of BCa cells. The subtypes of distant-organ metastasis led to treatment failure and poor prognosis are major obstacles in the management of patients with advanced breast cancer (BCa). Emerging evidences demonstrated that exosomes act as mediators for intercellular communication between various types of cells in the local tumor microenvironment. The present study aims to investigate whether BCa-derived exosomes are capable of cell-cell transferring miR-222 for BCa metastatic progression. Results showed that exosomal miR-222 is highly expressed in BCa patients with lymphatic metastasis. Consistently, the elevated levels of exosomal miR-222 are closely correlated with the high aggressivity of BCa cell lines. miR-222 promoting the aggressivity of BCa cells was confirmed in vitro and in vivo. Mechanistically, miR-222 directly targets PDLIM2, a tumor suppressor gene, leading to activation of NF-κB signal pathway. In conclusion, the levels of exosomal miR-222 are correlated with BCa metastatic progression. Exosome-transferred miR-222 promotes migration and invasion of BCa cells. miR-222 contributes to tumorigenicity of BCa cells through down-regulation of PDLIM2 and consequently activating NF-κB.

60 APPLIED LIFE SCIENCES↗

Critical role of intermediate electronic states for spin-flip processes in charge-transfer-type organic molecules with multiple donors and acceptors

Spin-flip in purely organic molecular systems is often described as a forbidden process; however, it is commonly observed and utilized to harvest triplet excitons in a wide variety of organic-material-based applications. Although the initial and final electronic states of the spin-flip between the lowest singlet and lowest triplet excited state are self-evident, the exact process and the role of intermediate states through which spin-flip occurs are still far from being comprehensively determined. Here, via experimental photo-physical investigations in solution combined with first-principles quantum-mechanical calculations, we show that efficient spin-flip in multi-donor-acceptor charge-transfer (CT)-type organic molecular systems involves the critical role of an intermediate triplet excited state that corresponds to a partial molecular structure of the system. Furthermore, our proposed mechanism unifies the understanding of the intersystem crossing mechanism in a wide variety of CT-type molecular systems, opening the way to greater control over the spin-flip rates.

36 MATERIALS SCIENCE↗

High-efficiency stretchable light-emitting polymers from thermally activated delayed fluorescence

Stretchable light-emitting materials are the key components for realizing skin-like displays and optical biostimulation. All the stretchable emitters reported to date, to the best of our knowledge, have been based on electroluminescent polymers that only harness singlet excitons, limiting their theoretical quantum yield to 25%. Here we present a design concept for imparting stretchability onto electroluminescent polymers that can harness all the excitons through thermally activated delayed fluorescence, thereby reaching a near-unity theoretical quantum yield. We show that our design strategy of inserting flexible, linear units into a polymer backbone can substantially increase the mechanical stretchability without affecting the underlying electroluminescent processes. As a result, our synthesized polymer achieves a stretchability of 125%, with an external quantum efficiency of 10%. Additionally, we demonstrate a fully stretchable organic light-emitting diode, confirming that the proposed stretchable thermally activated delayed fluorescence polymers provide a path towards simultaneously achieving desirable electroluminescent and mechanical characteristics, including high efficiency, brightness, switching speed and stretchability as well as low driving voltage.

36 MATERIALS SCIENCE↗

6th Annual Earth System Grid Federation Face-to-Face Conference Report, December 5–9, 2016, Washington, D.C.

Since its inception in the late 1990s, the Earth System Grid Federation (ESGF) has evolved significantly as a system. As technology changed and its user base grew larger and more diverse, ESGF gradually developed into the state-of-the-art federated system it is today. Due to the enormity of its scope and the urgency of community needs, many features had to be tested in the real world during the expansion process. The rollout of Version 2.4 in 2016 culminated a series of releases and user feedback initiatives that began in 2013. During this 3-year period, ESGF hosted user group meetings to better understand how the system was being used; this information was then leveraged to begin Version 3.0 planning and preparations. The user meetings were collectively led and organized by the U.S. Department of Energy (DOE), the Infrastructure for the European Network for Earth System Modelling (IS-ENES), the U.S. National Aeronautics and Space Administration (NASA), the Australian National Computational Infrastructure (NCI), the U.S. National Oceanic and Atmospheric Administration (NOAA), and the U.S. National Science Foundation (NSF). The information emerging from the user group meetings influenced requirements, development, and operations. In 2015, representatives from a significant fraction of projects that use ESGF to disseminate and analyze data attended the Fifth Annual ESGF Face-to-Face (F2F) Conference (DOI: 10.2172/1253685). Attendees provided important feedback regarding current and future community data use cases. Discussions focused on maintaining essential operations while developing new and improved software to handle ever-increasing data variety, complexity, velocity, and volume—a task accomplished by the entire consortium.

97 MATHEMATICS AND COMPUTING↗

Combining Fluorescence and Phosphorescence to Achieve Very Long Lifetime and Efficient White OLEDs (Final Technical Report)

The objective of our project was to develop a high efficiency, long lived WOLED using a hybrid approach to harvesting singlet and triplet excitons, as described above. WE met out GONOGO metric at the end of year one, achieving an efficiency of nearly 50 lm/W for high quality white light emission. We faced an unforeseen problem in achieving this high efficiency level at high brightness. Our hybrid devices showed a significant roll off in device efficiency as the current is raised, such that our efficiency dropped to ca. 10 lm/W at 1000 nits. This roll off precluded us form achieving our send year targets with regards to efficiency at high brightness and long device lifetime. We spent the majority of our efforts in year two trying to decrease or eliminate this efficiency roll off, but this roll off prevented us from reaching our end of program target of high efficiency at high brightness with long device lifetime. Toward the end of the sixth quarter of the program we began to investigate a new approach, which involved a tandem WOLED, with a hybrid blue/red OLED stacked on a phosphorescent green OLED. The resultant emission from the stack will be white and the tandem structure relaxes the constraints on the materials, which we believe is key issue in the high roll off in efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning the Optical and Photophysical Properties of Boron Aza-Dipyridylmethene dyes for Optoelectronics Application

A series of substituted boron aza-dipyridylmethene (aD) compounds are explored for their attractive photophysical and electrochemical properties as fluorescent emitters for blue OLEDs. Previous work in our lab have demonstrated the synthetic ease of dipyridylmethene monomers and their interesting photophysical properties as homoleptic meso-linked dimers. Using Density Functional Theory (DFT) modeling, we combine our theoretical and experimental efforts to synthesize a library of aD compounds by replacing the meso carbon with nitrogen to destabilize the HOMO energy. The synthesized aD derivatives emit blue light with λ max between 400-460 nm and internal quantum efficiencies above 85 % . From TD-DFT calculations, estimation of the singlet and triplet energies that are deduced from fluorescence and phosphorescence emission, respectively, closely matches the experimental data of ΔE ST ≤ 0.4 eV. Aza-dipyridylmethene show promising potential as blue emitting fluorophores in OLEDs with EQE max = 4.5 %, approaching the maximum theoretical limit of fluorescent (fl) OLED of 5.5 %. Boron aza-dipyridylmethene are synthetically tunable compounds which show interesting photophysical properties for applications in organic electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning Singlet and Triplet Excited State Energies and Frontier Orbitals of Imidazole Host/Emitter for Hybrid White OLEDs

In this work, we report hybrid fluorescent/phosphorescent WOLEDs employing blue fluorescent and green and red phosphorescent emitters doped into a host matrix. The fluorescent emitting dopant harnesses all electrically generated high energy singlet excitons for blue emission, and the phosphorescent dopants harvest the remainder of lower-energy triplet excitons for green and red emission. This design requires the singlet state (S1) of the host to be higher than the S1 of the fluorescent dopant so that the singlet excitons generated on the host are transferred to the fluorescent dopant. Furthermore, the triplet state (T1) of the host matrix should be lower than the T1 of the fluorescent dopant so the triplet excitons generated on the fluorescent dopant can be transferred to the host matrix which will then be transferred to the green and red phosphors. To develop a host material that can serve this purpose, we tune the electronic properties of phenanthro[9,10-d]imidazole by incorporating phenyl and/or pyridyl moieties at the N1 and C2 positions of phenanthro[9,10-d]imidazole. This substitution resulted in variety of host materials with different singlet/triplet energies, quantum efficiency and redox values. The resulting phenanthro[9,10-d]imidazoles are employed as host materials for fluorescent and phosphorescent dopants and as neat fluorescent emitters. Monochromatic devices with a fluorescent emitter and the phenanthro[9,10-d]imidazoles as host materials or as neat fluorescent emitter achieved near theoretical maximum efficiency. Finally, efficient three-color hybrid WOLEDs were fabricated using the phenanthro[9,10-d]imidazoles as hosts for a fluorescent dopant or as neat fluorescent emitters and host for green and red phosphors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Field guide to Cretaceous-tertiary boundary sections in northeastern Mexico

This guide was prepared for the field trip to the KT elastic sequence of northeastern Mexico, 5-8 February 1994, in conjunction with the Conference on New Developments Regarding the KT Event and Other Catastrophes in Earth History, held in Houston, Texas. The four-day excursion offers an invaluable opportunity to visit three key outcrops: Arroyo El Mimbral, La Lajilla, and El Pinon. These and other outcrops of this sequence have recently been interpreted as tsunami deposits produced by the meteorite impact event that produced the 200 to 300-km Chicxulub basin in Yucatan, and distributed ejecta around the world approximately 65 m.y. ago that today is recorded as a thin clay layer found at the K/T boundary. The impact tsunami interpretation for these rocks has not gone unchallenged, and others examining the outcrops arrive at quite different conclusions: not tsunami deposits but turbidites; not KT at all but 'upper Cretaceous.' Indeed, it is in hopes of resolving this debate through field discussion, outcrop evaluation, and sampling that led the organizers of the conference to sanction this field trip. This field guide provides participants with background information on the KT clastic sequence outcrops and is divided into two sections. The first section provides regional and logistical context for the outcrops and a description of the clastic sequence. The second section presents three representative interpretations of the outcrops by their advocates. There is clearly no way that these models can be reconciled and so two, if not all three, must be fundamentally wrong. Readers of this guide should keep in mind that many basic outcrop observations that these models are based upon remain unresolved. While great measures were taken to ensure that the information in the description section was as objective as possible, many observations are rooted in interpretations and the emphasis placed on certain observations depends to some degree upon the perspective of the author.

Keller, Gerta↗

A Proposal to Investigate Outstanding Problems in Astronomy

Holland Ford and Garth Illingworth organized, managed, and coordinated a very successful year of work by the ACS science team. The team is working well together on analysis of ACS observations and supporting data from other satellites and from ground-based observations. Many important papers have been published or submitted, spanning science from observations of newly discovered debris disks around young stars, to the characterization of galaxy clusters at half the age of the Universe, to observations of proto-clusters with ages of approx. 2 billion years, to searches for galaxies forming within the first billion years after the birth of the universe. One important milestone during the year was the annual team meeting during September. The meeting, organized and led by Holland and Garth, produced a plan for analysis of ACS observations during the coming year, and a plan for obtaining supporting observations with large ground-based telescopes.

Ford, Holland↗

Emissions Measured in the Exhaust of a CFM-56 Engine on a DC-8

A very extensive set of gaseous- and particulate-emissions data from an in service commercial aircraft engine was obtained by a team of researchers from NASA, the Environmental Protection Agency, and the Department of Defense. The program was led and organized by Dr. Chowen Wey of the UEET Project Office at the NASA Glenn Research Center and was dubbed the Aircraft Particle Emissions eXperiment (APEX). Testing was done at the NASA Dryden Flight Research Center. The main object of APEX was to identify particulate emissions from commercial-aircraft engines.

Wey, Changlie↗