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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 451 records · Page 25

High Performance Computing Facility Operational Assessment, FY 2010 Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory's (ORNL's) Cray XT5 supercomputer, Jaguar, kicked off the era of petascale scientific computing in 2008 with applications that sustained more than a thousand trillion floating point calculations per second - or 1 petaflop. Jaguar continues to grow even more powerful as it helps researchers broaden the boundaries of knowledge in virtually every domain of computational science, including weather and climate, nuclear energy, geosciences, combustion, bioenergy, fusion, and materials science. Their insights promise to broaden our knowledge in areas that are vitally important to the Department of Energy (DOE) and the nation as a whole, particularly energy assurance and climate change. The science of the 21st century, however, will demand further revolutions in computing, supercomputers capable of a million trillion calculations a second - 1 exaflop - and beyond. These systems will allow investigators to continue attacking global challenges through modeling and simulation and to unravel longstanding scientific questions. Creating such systems will also require new approaches to daunting challenges. High-performance systems of the future will need to be codesigned for scientific and engineering applications with best-in-class communications networks and data-management infrastructures and teams of skilled researchers able to take full advantage of these new resources. The Oak Ridge Leadership Computing Facility (OLCF) provides the nation's most powerful open resource for capability computing, with a sustainable path that will maintain and extend national leadership for DOE's Office of Science (SC). The OLCF has engaged a world-class team to support petascale science and to take a dramatic step forward, fielding new capabilities for high-end science. This report highlights the successful delivery and operation of a petascale system and shows how the OLCF fosters application development teams, developing cutting-edge tools and resources for next-generation systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Tracking nickel oxide reduction in solid oxide cells via ex-situ ptychographic nano-tomography

In solid oxide cell (SOC) electrodes, nickel oxide reduction is a fundamental step occurring during the initial stages of cell operation. The reduction procedure is considered to be crucial in producing the final fuel electrode microstructure. This work studies the reduction reaction occurring in a SOC fuel electrode by means of X-ray ptychographic nanotomography. The same microstructure is analyzed in its pristine state and after 1 h of reduction at 850 °C, in dry hydrogen. The microstructure evolution is discussed in terms of changes in volume fractions, surface areas, and connectivity of the different constituent materials. The pore network in the unreduced cermet is revealed to be fully isolated, implying that reduction proceeds inwards from the edges of the sample towards the center. For the given experimental conditions we report that reduction is complete after 1 h of treatment but the resulting nickel network is not yet percolated and detached from the yttria-stabilized zirconia.

25 ENERGY STORAGE↗

Spin-neurons: A possible path to energy-efficient neuromorphic computers

Recent years have witnessed growing interest in the field of brain-inspired computing based on neural-network architectures. In order to translate the related algorithmic models into powerful, yet energy-efficient cognitive-computing hardware, computing-devices beyond CMOS may need to be explored. The suitability of such devices to this field of computing would strongly depend upon how closely their physical characteristics match with the essential computing primitives employed in such models. In this work, we discuss the rationale of applying emerging spin-torque devices for bio-inspired computing. Recent spin-torque experiments have shown the path to low-current, low-voltage, and high-speed magnetization switching in nano-scale magnetic devices. Such magneto-metallic, current-mode spin-torque switches can mimic the analog summing and “thresholding” operation of an artificial neuron with high energy-efficiency. Comparison with CMOS-based analog circuit-model of a neuron shows that “spin-neurons” (spin based circuit model of neurons) can achieve more than two orders of magnitude lower energy and beyond three orders of magnitude reduction in energy-delay product. The application of spin-neurons can therefore be an attractive option for neuromorphic computers of future.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Accelerated cellular senescence phenotype of GAPDH-depleted human lung carcinoma cells

Highlights: {yields} We examined the effect of glyceraldehyde 3-phosphate (GAPDH) depletion on proliferation of human carcinoma A549 cells. {yields} GAPDH depletion induces accelerated senescence in tumor cells via AMPK network, in the absence of DNA damage. {yields} Metabolic and genetic rescue experiments indicate that GAPDH has regulatory functions linking energy metabolism and cell cycle. {yields} Induction of senescence in LKB1-deficient lung cancer cells via GAPDH depletion suggests a novel strategy to control tumor cell proliferation. -- Abstract: Glyceraldehyde 3-phosphate dehydrogenase (GAPDH) is a pivotal glycolytic enzyme, and a signaling molecule which acts at the interface between stress factors and the cellular apoptotic machinery. Earlier, we found that knockdown of GAPDH in human carcinoma cell lines resulted in cell proliferation arrest and chemoresistance to S phase-specific cytotoxic agents. To elucidate the mechanism by which GAPDH depletion arrests cell proliferation, we examined the effect of GAPDH knockdown on human carcinoma cells A549. Our results show that GAPDH-depleted cells establish senescence phenotype, as revealed by proliferation arrest, changes in morphology, SA-{beta}-galactosidase staining, and more than 2-fold up-regulation of senescence-associated genes DEC1 and GLB1. Accelerated senescence following GAPDH depletion results from compromised glycolysis and energy crisis leading to the sustained AMPK activation via phosphorylation of {alpha} subunit at Thr172. Our findings demonstrate that GAPDH depletion switches human tumor cells to senescent phenotype via AMPK network, in the absence of DNA damage. Rescue experiments using metabolic and genetic models confirmed that GAPDH has important regulatory functions linking the energy metabolism and the cell cycle networks. Induction of senescence in LKB1-deficient non-small cell lung cancer cells via GAPDH depletion suggests a novel strategy to control tumor cell proliferation.

60 APPLIED LIFE SCIENCES↗

Microscopic Origins of the Nonlinear Behavior of Particle-Filled Rubber Probed with Dynamic Strain XPCS

The underlying microscopic response of filler networks in reinforced rubber to dynamic strain is not well understood due to the experimental difficulty of directly measuring filler network behavior in samples undergoing dynamic strain. This difficulty can be overcome with in situ X-ray photon correlation spectroscopy (XPCS) measurements. The contrast between the silica filler and the rubber matrix for X-ray scattering allows us to isolate the filler network behavior from the overall response of the rubber. This in situ XPCS technique probes the microscopic breakdown and reforming of the filler network structure, which are responsible for the nonlinear dependence of modulus on strain, known in the rubber science community as the Payne effect. These microscopic changes in the filler network structure have consequences for the macroscopic material performance, especially for the fuel efficiency of tire tread compounds. In this work, we elucidate the behavior with in situ dynamic strain XPCS experiments on industrially relevant, vulcanized rubbers filled (13 vol %) with novel air-milled silica of ultrahigh-surface area (UHSA) (250 m 2 /g). The addition of a silane coupling agent to rubber containing this silica causes an unexpected and counterintuitive increase in the Payne effect and decrease in energy dissipation. For this rubber, we observe a nearly two-fold enhancement of the storage modulus and virtually equivalent loss tangent compared to a rubber containing a coupling agent and conventional silica. Interpretation of our in situ XPCS results simultaneously with interpretation of traditional dynamic mechanical analysis (DMA) strain sweep experiments reveals that the debonding or yielding of bridged bound rubber layers is key to understanding the behavior of rubber formulations containing the silane coupling agent and high-surface area silica. These results demonstrate that the combination of XPCS and DMA is a powerful method for unraveling the microscale filler response to strain which dictates the dynamic mechanical properties of reinforced soft matter composites. With this combination of techniques, we have elucidated the great promise of UHSA silica when used in concert with a silane coupling agent in filled rubber. Such composites simultaneously exhibit large moduli and low hysteresis under dynamic strain.

36 MATERIALS SCIENCE↗

Structural and Optical Response of Polymer-Stabilized Blue Phase Liquid Crystal Films to Volatile Organic Compounds

Engineering useful mechanical properties into stimuli-responsive soft materials without compromising their responsiveness is, in many cases, an unresolved challenge. For example, polymer networks formed within blue-phase liquid crystals (BPs) have been shown to form mechanically robust films, but the impact of polymer networks on the response of these soft materials to chemical stimuli has not been explored. In this work, we report on the response of polymer-stabilized BPs (PSBPs) to volatile organic compounds (VOCs, using toluene as a model compound) and compare the response to BPs without polymer stabilization and to polymerized nematic and cholesteric phases. We find that PSBPs generate an optical response to toluene vapor (change in reflection intensity under crossed polars) that is sixfold greater in sensitivity than the polymerized nematic or cholesteric phases and with a limit of detection (140 ± 10 ppm at 25 °C) that is relevant to the measurement of permissible exposure limits for humans. Additionally, when compared to BPs that have not been polymerized, PSBPs respond to a broader range of toluene vapor concentrations (5000 vs <1000 ppm) over a wider temperature interval (25–45 vs 45–53 °C). We place these experimental observations into the context of a simple thermodynamic model to explore how the PSBP response reflects the effect of toluene on competing contributions of double-twisted LC cylinders, disclinations, and polymer network to the free energy that controls the PSBP lattice spacing. Overall, we conclude that the mechanical and thermal stability of PSBPs, when combined with their optical responsiveness to toluene, make this class of self-supporting LCs a promising one as the basis of passive and compact (e.g., wearable) sensors for VOCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The ARM Climate Research Facility: A Review of Structure and Capabilities

The Atmospheric Radiation Measurement (ARM) program (www.arm.gov) is a Department of Energy, Office of Science, climate research user facility that provides atmospheric observations from diverse climatic regimes around the world. Use of ARM data is free and available to anyone through the ARM data archive. ARM is approaching 20 years of operations. In recent years, the facility has grown to add two mobile facilities and an aerial facility to its network of fixed-location sites. Over the past year, ARM has enhanced its observational capabilities with a broad array of new instruments at its fixed and mobile sites and the aerial facility. Instruments include scanning millimeter- and centimeter-wavelength radars; water vapor, cloud/aerosol extinction, and Doppler lidars; a suite of aerosol instruments for measuring optical, physical, and chemical properties; instruments including eddy correlation systems to expand measurements of the surface and boundary layer; and aircraft probes for measuring cloud and aerosol properties. Taking full advantage of these instruments will involve the development of complex data products. This work is underway but will benefit from engagement with the broader scientific community. In this article we will describe the current status of the ARM program with an emphasis on developments over the past eight years since ARM was designated a DOE scientific user facility. We will also describe the new measurement capabilities and provide thoughts for how these new measurements can be used to serve the climate research community with an invitation to the community to engage in the development and use of these data products.

Atmospheric Radiation Measurement↗

Voyager Interstellar Mission: Challenges of Flying a Very Old Spacecraft on a Very Long Mission

Two Voyager spacecraft were launched in 1977. After the successful flybys of Jupiter and Saturn by both Voyagers and Uranus and Neptune by Voyager 2, the mission has been extended for another 30 years in search of the transition region between the dominance of the solar energy and interstellar energy. The Voyager Interstellar Mission (VIM) started on January 1, 1990. It can be characterized by several factors including extremely long communication distances, aging hardware, reduced staffing levels and difficulty in obtaining Deep Space Network (DSN) resources necessitated by the increasing distance between the spacecraft and Earth. The mission was redesigned to compensate for such factors while maximizing the science return. After 25 years of VIM and several significant science discoveries, both Voyager spacecraft are still functioning well and the Voyager flight team is preparing for an even longer mission - until the year 2025 and beyond. In order to work around the challenges and to continue the mission even further, the team has been implementing numerous changes, mainly through flight software modifications and hardware reconfiguration. The major drivers for the changes are two-fold: resource constraints (such as decreasing power output and difficulty in obtaining the necessary DSN coverage) and anomalies due to the aging hardware. The majority of changes occur through flight software modifications so the state of the on-board responses is appropriate for the changing space environment and mission phase, and the flight software is compatible in allowing the maximum data gathering. The on-board flight software routines such as baseline sequence, fault protection routines, the High Gain Antenna POINTing to Earth (HPOINT) table, and long-term events table need to be maintained through flight software updates. The changes also occur through hardware reconfiguration such as selecting the backup Hybrid Buffer Interface Circuits (HYBIC) or attitude propulsion thrusters. This paper will describe the challenges of VIM and what has been done to overcome or mitigate those challenges. The primary focus will be the major flight software changes made during VIM and the changes that are in store for the near future in preparation for continuing the extended mission, from the originally projected year of 2020 out to the year 2025 and possibly beyond.

Matsumoto, Sun Kang↗

Electrochemically Smart Bimetallic Materials Featuring Group 11 Metals: In-situ Conductive Network Generation and Its Impact on Cell Capacity

Our results for this program “Electrochemically smart bimetallic materials featuring Group 11 metals: in-situ conductive matrix generation and its impact on battery capacity, power and reversibility” have been highly successful: 1) we demonstrated material structures which generated in-situ conductive networks through electrochemical activation with increases in conductivity up to 10,000 fold, 2) we pioneered in situ analytical methodology to map the cathodes at several stages of discharge through the use of Energy Dispersive X-ray Diffraction (EDXRD) to elucidate the kinetic dependence of the conductive network formation, and 3) we successfully designed synthetic methodology for direct control of material properties including crystallite size and surface area which showed significant impact on electrochemical behavior.

30 DIRECT ENERGY CONVERSION↗

Wireless Sensing, Monitoring and Optimization for Campus-Wide Steam Distribution

The US Congress has passed legislation dictating that all government agencies establish a plan and process for improving energy efficiencies at their sites. In response to this legislation, Oak Ridge National Laboratory (ORNL) has recently conducted a pilot study to explore the deployment of a wireless sensor system for a real-time measurement-based energy efficiency optimization. With particular focus on the 12-mile long steam distribution network in our campus, we propose an integrated system-level approach to optimize energy delivery within the steam distribution system. Our approach leverages an integrated wireless sensor and real-time monitoring capability. We make real time state assessment on the steam trap health and steam flow estimate of the distribution system by mounting acoustic sensors on the steam pipes/traps/valves and observing measurements of these sensors with state estimators for system health. Our assessments are based on a spectral-based energy signature scheme that interprets acoustic vibration sensor data to estimate steam flow rates and assess steam traps status. Experimental results show that the energy signature scheme has the potential to identify different steam trap states and it has sufficient sensitivity to estimate flow rate. Moreover, results indicate a nearly quadratic relationship over the test region between the overall energy signature factor and flow rate in the pipe. We are able to present the steam flow and steam trap status, sensor readings, and the assessed alerts as an interactive overlay within a web-based Google Earth geographic platform that enables decision makers to take remedial action. The goal is to achieve significant energy-saving in steam lines by monitoring and acting on leaking steam pipes/traps/valves. We believe our demonstration serves as an instantiation of a platform that extends implementation to include newer modalities to manage water flow, sewage and energy consumption.

54 ENVIRONMENTAL SCIENCES↗

Building America Case Study: Accelerating the Delivery of Home-Performance Upgrades Using a Synergistic Business Model, Minneapolis, Minnesota

Achieving Building America energy savings goals (40 percent by 2030) will require many existing homes to install energy upgrades. Engaging large numbers of homeowners in building science-guided upgrades during a single remodeling event has been difficult for a number of reasons. Performance upgrades in existing homes tend to occur over multiple years and usually result from component failures (furnace failure) and weather damage (ice dams, roofing, siding). This research attempted to: A) Understand the homeowner's motivations regarding investing in building science based performance upgrades. B) Determining a rapidly scalable approach to engage large numbers of homeowners directly through existing customer networks. C) Access a business model that will manage all aspects of the contractor-homeowner-performance professional interface to ensure good upgrade decisions over time. The solution results from a synergistic approach utilizing networks of suppliers merging with networks of homeowner customers. Companies in the $400 to $800 billion home services industry have proven direct marketing and sales proficiencies that have led to the development of vast customer networks. Companies such as pest control, lawn care, and security have nurtured these networks by successfully addressing the ongoing needs of homes. This long-term access to customers and trust established with consistent delivery has also provided opportunities for home service providers to grow by successfully introducing new products and services like attic insulation and air sealing. The most important component for success is a business model that will facilitate and manage the process. The team analyzes a group that developed a working model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Deciphering the non-linear impact of Al on chemical durability of silicate glass

The role of Al in aluminosilicate glasses remains somewhat a mystery: at low concentrations, it increases the resistance to hydrolysis of the glass, whereas at high concentrations an opposite effect is observed. To understand the origin of the phenomenon on a fundamental atomistic scale, we performed 577 MD simulations and applied potential mean force (PMF) calculations to estimate the activation barriers for hydrolysis and to statistically correlate them with local structural features of the glass. Models of pure silicate and aluminosilicate glasses are constructed and investigated. PMF simulation results are further validated by the experimental measurements and revealed that Al is very easy to dissociate, but it also increases the glass chemical durability through significantly increasing both the strength of Si and network connectivity of the glass. In contrast, at high Al concentration, preferential dissolution of Al weakens the silicate network, which it supposes to strengthen, and so the glass resistance becomes poor. Through PMF calculations, we evaluated the activation barriers for dissociating bonds around Al as 0.49 eV, which is less than a half of the energy to dissociate bonds around Si in pure silicate (1.22 eV) and around Si in aluminosilicate glass (1.34 eV), all these energy differences being statistically significant. Molecular structural level investigation revealed that Si with Al as a second neighbor in the glass network has a significantly higher activation energy for dissociation than Si in pure silicate glass. Furthermore, the proposed approach opens the way to the development of quantitative predictive models of glass durability.

36 MATERIALS SCIENCE↗

LYNM PE1 Shot A Meteorology Team Technical Report

Weather support for Shot A was done by NOAA’s Air Resources Laboratory (ARL) / Special Operations and Research Division (SORD) and Lawrence Livermore National Laboratory (LLNL). Weather support activities included wind and precipitation forecasting, maintaining and monitoring PE1 meteorology towers MT02-11, maintaining and monitoring the ARL/SORD tower on Aqueduct Mesa (A12AI, also called MT01), maintaining and monitoring the Blackbrush energy flux tower, radiosonde preparation and launch, providing weather conditions on shot day for go/no-go criteria, and quality control and submission of the datasets. ARL/SORD additionally maintains and monitors the meteorological tower network (Mesonet) and sodar (at Desert Rock) for NNSS.

54 ENVIRONMENTAL SCIENCES↗

Composites incorporated a conductive polymer nanofiber network

Methods of forming composites that incorporate networks of conductive polymer nanofibers are provided. Networks of less-than conductive polymers are first formed and then doped with a chemical dopant to provide networks of conductive polymers. The networks of conductive polymers are then incorporated into a matrix in order to improve the conductivity of the matrix. The formed composites are useful as conductive coatings for applications including electromagnetic energy management on exterior surfaces of vehicles.

36 MATERIALS SCIENCE↗

Synthesis, structural and electrical properties of [C{sub 2}H{sub 10}N{sub 2}][(SnCl(NCS){sub 2}]{sub 2}

Synthesis, structural and electrical properties are given for a new organic stannous pseudo halide material. The structure of the [C{sub 2}H{sub 10}N{sub 2}][(SnCl(NCS){sub 2}]{sub 2} reveals that the adjacent Sn(II) centres are bridged by a pair of SCN{sup -} anions to form a 1-D array giving rise to the anionic chains (SnCl(NCS){sub 2}){sub n}{sup n-}. These chains are themselves interconnected by means of N-H Horizontal-Ellipsis Cl(S) hydrogen bonds originating from the organic cation [(NH{sub 3}){sub 2}(CH{sub 2}){sub 2}]{sup 2+}. The AC impedance measurements were performed as a function of both frequency and temperature. The electrical conduction and dielectric relaxation have been studied. The activation energy associated with the electrical relaxation determined from the electric modulus spectra was found close to that of the activation energy obtained for DC conductivity. The conduction mechanisms are attributed to the quantum mechanical tunneling model in phase I and to the proton hopping among hydrogen vacancies in phase II. - Graphical abstract: Atomic coordination in [C2H10N2][SnCl(NCS)2)2]. Highlights: Black-Right-Pointing-Pointer X-ray diffraction analysis shows the 1D network character of the structure. Black-Right-Pointing-Pointer DSC experiments show a phase transition at 336 K. Black-Right-Pointing-Pointer The AC conductivity is interpreted in terms of Jonsher's law. Black-Right-Pointing-Pointer Two conduction mechanisms are proposed for phase I and II.

36 MATERIALS SCIENCE↗

Accelerating the Delivery of Home Performance Upgrades through a Synergistic Business Model

Achieving Building America energy savings goals (40% by 2030) will require many existing homes to install energy upgrades. Engaging large numbers of homeowners in building science-guided upgrades during a single remodeling event has been difficult for a number of reasons. Performance upgrades in existing homes tend to occur over multiple years and usually result from component failures (furnace failure) and weather damage (ice dams, roofing, siding). This research attempted to: A) understand the homeowner's motivations regarding investing in building science based performance upgrades; B) determining a rapidly scalable approach to engage large numbers of homeowners directly through existing customer networks; and C) access a business model that will manage all aspects of the contractor-homeowner-performance professional interface to ensure good upgrade decisions over time. The solution results from a synergistic approach utilizing networks of suppliers merging with networks of homeowner customers. Companies in the $\$ $400 to $\$ $800 billion home services industry have proven direct marketing and sales proficiencies that have led to the development of vast customer networks. Companies such as pest control, lawn care, and security have nurtured these networks by successfully addressing the ongoing needs of homes. This long-term access to customers and trust established with consistent delivery has also provided opportunities for home service providers to grow by successfully introducing new products and services like attic insulation and air sealing. The most important component for success is a business model that will facilitate and manage the process. The team analyzes a group that developed a working model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Bacteria “Read” Light To Gain a Competitive Advantage

Photosynthesis, the process of converting solar energy into stored chemical bonds, represents the primary mechanism by which biological organisms utilize photons. Light can also be used to activate a number of photosensory compounds and proteins designed to carry out tasks, such as DNA repair, gene regulation, and synchronization with the diurnal cycle. Given that sunlight is incident upon many environments, it is not farfetched to think that life may have evolved other as-yet-undetected mechanisms to profit from solar irradiation. In this issue, Maresca and coworkers detail their observations of light-enhanced growth of several nonphotosynthetic actinobacteria, as well as describe the potential photosensitizer responsible for this phenotype and discuss the regulatory networks involved (J. A. Maresca, J. L. Keffer, P. P. Hempel, S. W. Polson, et al., J Bacteriol 201:e00740-18, 2019,). This study opens the door to many intriguing questions about the use of light as information in nonphotosynthetic biological systems.

59 BASIC BIOLOGICAL SCIENCES↗