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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 1,189 records · Page 66

Temperature and neutron flux dependence of in-reactor creep for cold-worked Zr-2.5Nb - 2016-0042

Over the past 10 years, internally pressurized capsules made from Zr-2.5Nb tubing have been irradiated in the National Research Universal (NRU) reactor at Chalk River Laboratories at temperatures of 280, 320, and 340 deg. C and dose rates between 3 X10{sup 15} n. m{sup -2}. s{sup -1} and 2 X10{sup 17} n. m{sup -2}. s{sup -1} (E>1 MeV). Periodic gaging has been used to assess the primary and secondary (steady-state) creep behavior. The objective of this detailed and controlled experiment was to determine, for the first time, the creep and microstructure evolution in Zr-2.5Nb tubing over a wide range of irradiation conditions for fast neutron fluxes applicable to a CANDU pressure tube. Similar but 'accelerated' creep experiments have been conducted in the Osiris test reactor at fast neutron fluxes of approximately 1.8 X10{sup 18} n. m{sup -2}. s{sup -1} (E>1 MeV), much greater than the neutron fluxes in the NRU reactor. Although accelerated tests in high-flux reactors such as Osiris provide information on irradiation creep, they do not represent the neutron flux conditions applicable to a power reactor. Tests covering power reactor operating conditions are needed to develop models for in-reactor creep of pressure tubes under the appropriate conditions. The data from the NRU reactor are compared with results from creep capsules with similar starting microstructures but irradiated in the Osiris reactor. The results show that the steady-state diametral and axial creep rates have a complex dependence on stress, temperature, and fast neutron flux. Data from out-reactor creep tests on unirradiated and pre-irradiated creep capsules that show the effect of prior irradiation on creep are also reported. The results are discussed in terms of a combination of creep mechanisms involving dislocation glide and mass transport. (authors)

36 MATERIALS SCIENCE↗

HIGHLY-EFFICIENT 20-MW L-BAND MULTI-BEAM KLYSTRON

The overall goal of this project was to develop and demonstrate a novel two-stage multi-beam klystron (TS-MBK) for use in accelerator, medical, national security, medical, and environmental cleanup applications. The novelties embodied in the TS-MBK design include use of hollow beams to obtain strong coupling to cavities, and post acceleration after bunching to reduce the beam’s energy spread to allow an exceptional electronic efficiency that we predict can reach 90%. During Phase I of this project, Omega-P R&D refined its conceptual design of the 1.0 GHz TS-MBK, and collector design and cooling requirements for several levels of average power output. If, as was the case, it turned out that estimated costs for fabrication and testing of a full 12-beam TS-MBK prototype would exceed available Phase II funding, our Plan-B would have be adopted. In it, a single-beam version would have been designed and built, with all specifications identical to the 12-beam version, except that the average power level would be reduced by a factor of about 12. This one-beam version would still allow evaluation of the efficacy of our design concept for implementing two stages, including prevention of radiation loss at the HV gap, and for demonstrating the predicted 90% electronic efficiency and the absence of reflected electrons from the collector reaching the cathodes. But the absence of the expected industrial partner in further development of this novel RF source made it impractical for advancing the project into Phase II.

43 PARTICLE ACCELERATORS↗

Benchmarking Monte Carlo codes for the modelling of low-energy neutron production target reactions

The increasing adoption of accelerator-based neutron sources (ABNS) for applications including neutron capture therapy (NCT) research has highlighted the need for accurate simulation tools. Precise modelling of the neutron production target is crucial to ensure that simulated predictions of neutron beam characteristics used for subsequent beam shaping assembly design are reliable. This work presents a comprehensive benchmarking of four widely-used Monte Carlo codes - Geant4, PHITS, FLUKA (CERN), and MCNP - for modelling low-energy neutron production target reactions. Using their recommended physics models and cross-section libraries, we evaluate each code’s performance in simulating four beam-target reactions: 7 Li(p,n) 7 Be, 9 Be(p,n) 9 B, 9 Be(d,n) 10 B, and C(d,n)N. Predictions of neutron yield, angular distributions, and energy spectra are compared against available thick target experimental data. Results show varying levels of agreement between the codes depending on the reaction type, energy range, and beam characteristics. Geant4, MCNP and PHITS are the overall best performing codes for the simulation of total neutron yield and yield in the forward direction across most reactions. Across energies where experimental benchmarks exist, inter-code discrepancies in total and forward-directed yield are typically 10 to 30%, with larger deviations at near-threshold incident ion energies. PHITS provides the best overall reproduction of experimental spectra, particularly for the 9 Be(p,n) 9 B reaction. Additionally, PHITS demonstrates superior computational performance for most reactions. These findings provide valuable guidance for ABNS design, highlighting the strengths and limitations of each code for the simulation of low-energy neutron production reactions.

43 PARTICLE ACCELERATORS↗

Pre-Launch Algorithms and Risk Reduction in Support of the Geostationary Lightning Mapper for GOES-R and Beyond

The Geostationary Lightning Mapper (GLM) is a single channel, near-IR optical transient event detector, used to detect, locate and measure total lightning activity over the full-disk as part of a 3-axis stabilized, geostationary weather satellite system. The next generation NOAA Geostationary Operational Environmental Satellite (GOES-R) series with a planned launch in 2014 will carry a GLM that will provide continuous day and night observations of lightning from the west coast of Africa (GOES-E) to New Zealand (GOES-W) when the constellation is fully operational. The mission objectives for the GLM are to 1) provide continuous,full-disk lightning measurements for storm warning and Nowcasting, 2) provide early warning of tornado activity, and 3) accumulate a long-term database to track decadal changes of lightning. The GLM owes its heritage to the NASA Lightning Imaging Sensor (1997-Present) and the Optical Transient Detector (1995-2000), which were developed for the Earth Observing System and have produced a combined 13 year data record of global lightning activity. Instrument formulation studies were completed in March 2007 and the implementation phase to develop a prototype model and up to four flight units is expected to begin in latter part of the year. In parallel with the instrument development, a GOES-R Risk Reduction Team and Algorithm Working Group Lightning Applications Team have begun to develop the Level 2B algorithms and applications. Proxy total lightning data from the NASA Lightning Imaging Sensor on the Tropical Rainfall Measuring Mission (TRMM) satellite and regional test beds (e.g., Lightning Mapping Arrays in North Alabama and the Washington DC Metropolitan area) are being used to develop the pre-launch algorithms and applications, and also improve our knowledge of thunderstorm initiation and evolution. Real time lightning mapping data provided to selected National Weather Service forecast offices in Southern and Eastern Region are also improving our understanding of the application of these data in the severe storm warning process and help to accelerate the development of the pre-launch algorithms and Nowcasting applications.

Goodman, Steven↗

Pre-Launch Algorithms and Risk Reduction in Support of the Geostationary Lightning Mapper for GOES-R and Beyond

The Geostationary Lightning Mapper (GLM) is a single channel, near-IR optical transient event detector, used to detect, locate and measure total lightning activity over the full-disk as part of a 3-axis stabilized, geostationary weather satellite system. The next generation NOAA Geostationary Operational Environmental Satellite (GOES-R) series with a planned launch in 2014 will carry a GLM that will provide continuous day and night observations of lightning from the west coast of Africa (GOES-E) to New Zealand (GOES-W) when the constellation is fully operational.The mission objectives for the GLM are to 1) provide continuous,full-disk lightning measurements for storm warning and Nowcasting, 2) provide early warning of tornadic activity, and 3) accumulate a long-term database to track decadal changes of lightning. The GLM owes its heritage to the NASA Lightning Imaging Sensor (1997-Present) and the Optical Transient Detector (1995-2000), which were developed for the Earth Observing System and have produced a combined 13 year data record of global lightning activity. Instrument formulation studies were completed in March 2007 and the implementation phase to develop a prototype model and up to four flight units is expected to begin in latter part of the year. In parallel with the instrument development, a GOES-R Risk Reduction Team and Algorithm Working Group Lightning Applications Team have begun to develop the Level 2B algorithms and applications. Proxy total lightning data from the NASA Lightning Imaging Sensor on the Tropical Rainfall Measuring Mission (TRMM) sate]lite and regional test beds (e.g., Lightning Mapping Arrays in North Alabama and the Washington DC Metropolitan area) are being used to develop the pre-launch algorithms and applications, and also improve our knowledge of thunderstorm initiation and evolution. Real time lightning mapping data provided to selected National Weather Service forecast offices in Southern and Eastern Region are also improving our understanding of the application of these data in the severe storm warning process and help to accelerate the development of the pre-launch algorithms and Nowcasting applications. Abstract for the 3 rd Conference on Meteorological

Goodman, Steven↗

Design Considerations for Proposed Fermilab Integrable RCS

Integrable optics is an innovation in particle accelerator design that provides strong nonlinear focusing while avoiding parametric resonances. One promising application of integrable optics is to overcome the traditional limits on accelerator intensity imposed by betatron tune-spread and collective instabilities. The efficacy of high-intensity integrable accelerators will be undergo comprehensive testing over the next several years at the Fermilab Integrable Optics Test Accelerator (IOTA) and the University of Maryland Electron Ring (UMER). We propose an integrable Rapid-Cycling Synchrotron (iRCS) as a replacement for the Fermilab Booster to achieve multi-MW beam power for the Fermilab high-energy neutrino program. We provide a overview of the machine parameters and discuss an approach to lattice optimization. Integrable optics requires arcs with integer-pi phase advance followed by drifts with matched beta functions. We provide an example integrable lattice with features of a modern RCS - long dispersion-free drifts, low momentum compaction, superperiodicity, chromaticity correction, separate-function magnets, and bounded beta functions.

43 PARTICLE ACCELERATORS↗

Survey of Multifidelity Methods in Uncertainty Propagation, Inference, and Optimization

In many situations across computational science and engineering, multiple computational models are available that describe a system of interest. These different models have varying evaluation costs and varying fidelities. Typically, a computationally expensive high-fidelity model describes the system with the accuracy required by the current application at hand, while lower-fidelity models are less accurate but computationally cheaper than the high-fidelity model. Outer-loop applications, such as optimization, inference, and uncertainty quantification, require multiple model evaluations at many different inputs, which often leads to computational demands that exceed available resources if only the high-fidelity model is used. This work surveys multifidelity methods that accelerate the solution of outer-loop applications by combining high-fidelity and low-fidelity model evaluations, where the low-fidelity evaluations arise from an explicit low-fidelity model (e.g., a simplified physics approximation, a reduced model, a data-fit surrogate) that approximates the same output quantity as the high-fidelity model. The overall premise of these multifidelity methods is that low-fidelity models are leveraged for speedup while the high-fidelity model is kept in the loop to establish accuracy and/or convergence guarantees. We categorize multifidelity methods according to three classes of strategies: adaptation, fusion, and filtering. The paper reviews multifidelity methods in the outer-loop contexts of uncertainty propagation, inference, and optimization.

97 MATHEMATICS AND COMPUTING↗

Resonant soft X-ray scattering in polymer science

Resonant soft X-ray scattering (RSoXS) is an emerging, powerful technique to probe the nano-to-mesoscale structure of polymers and other molecules. It joins together small-angle X-ray scattering (a statistical nanoprobe) with X-ray spectroscopy that brings with it unique chemical and bond-orientation sensitivity. Through over a decade of discovery and development, RSoXS is moving from a niche technique applied to organic electronic thin films to a mature tool applicable to a plethora of polymeric and molecular systems, encompassing new modalities, analyses, and simulation methods. This development promises to deliver increasingly quantitative answers to challenging questions in polymer science as well as expand its usefulness to complementary fields. Here, this review presents a full synopsis of the technique, including background on the theoretical underpinnings, measurement best practices, and examples of recent RSoXS applications and discoveries provided here to accelerate the transition to a broader range of soft matter and polymeric fields.

36 MATERIALS SCIENCE↗

Revisiting the ODE Method for Recursive Algorithms: Fast Convergence Using Quasi Stochastic Approximation

Several decades ago, Profs. Sean Meyn and Lei Guo were postdoctoral fellows at ANU, where they shared interest in recursive algorithms. It seems fitting to celebrate Lei Guo's 60th birthday with a review of the ODE Method and its recent evolution. The method has been regarded as a technique for algorithm analysis. It is argued that this viewpoint is backwards: The original stochastic approximation method was surely motivated by an ODE, and tools for analysis came much later (based on establishing robustness of Euler approximations). The paper presents a brief survey of recent research in machine learning that shows the power of algorithm design in continuous time, following by careful approximation to obtain a practical recursive algorithm. While these methods are usually presented in a stochastic setting, this is not a prerequisite. In fact, recent theory shows that rates of convergence can be dramatically accelerated by applying techniques inspired by quasi Monte-Carlo. Subject to conditions, the optimal rate of convergence can be obtained by applying the averaging technique of Polyak and Ruppert. The conditions are not universal, but theory suggests alternatives to achieve acceleration. The theory is illustrated with applications to gradient-free optimization, and policy gradient algorithms for reinforcement learning.

learning and adaptive systems in artificial intell↗

A fast parallel 3D Poisson solver with longitudinal periodic and transverse open boundary conditions for space-charge simulations

A three-dimensional (3D) Poisson solver with longitudinal periodic and transverse open boundary conditions can have important applications in beam physics of particle accelerators. Here, we present a fast efficient method to solve the Poisson equation using a spectral finite-difference method. This method uses a computational domain that contains the charged particle beam only and has a computational complexity of $O(N_u (logN_{mode}))$, where $N_u$ is the total number of unknowns and $N_{mode}$ is the maximum number of longitudinal or azimuthal modes. This saves both the computational time and the memory usage of using an artificial boundary condition in a large extended computational domain. The new 3D Poisson solver is parallelized using a message passing interface (MPI) on multi-processor computers and shows a reasonable parallel performance up to hundreds of processor cores.

97 MATHEMATICS AND COMPUTING↗

Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond

The Materials Genome Initiative (MGI) has heralded a sea change in the philosophy of materials design. In an increasing number of applications, the successful deployment of novel materials has benefited from the use of computational methodologies, data descriptors, and machine learning. Polymers have long suffered from a lack of data on electronic, mechanical, and dielectric properties across large chemical spaces, causing a stagnation in the set of suitable candidates for various applications. Extensive efforts over the last few years have seen the fruitful application of MGI principles toward the accelerated discovery of attractive polymer dielectrics for capacitive energy storage. Here, we review these efforts, highlighting the importance of computational data generation and screening, targeted synthesis and characterization, polymer fingerprinting and machine-learning prediction models, and the creation of an online knowledgebase to guide ongoing and future polymer discovery and design. We lay special emphasis on the fingerprinting of polymers in terms of their genome or constituent atomic and molecular fragments, an idea that pays homage to the pioneers of the human genome project who identified the basic building blocks of the human DNA. As a result, by scoping the polymer genome, we present an essential roadmap for the design of polymer dielectrics, and provide future perspectives and directions for expansions to other polymer subclasses and properties.

36 MATERIALS SCIENCE↗

Durability of ionomer encapsulants in photovoltaic modules

Ethylene vinyl acetate (EVA) has for decades been the preferred material for photovoltaic (PV) module encapsulation. However, while it is relatively inexpensive and initially adheres well to module components, EVA discolors with age and - as interfacial adhesion degrades - becomes susceptible to delamination, ultimately resulting in reduced module efficiency and shortened service lifetimes. As potential replacements for EVA, ionomer thermoplastic materials cure faster, are more resistant to discoloration and potential induced degradation, and do not evolve corrosive acetic acid, making them compatible with new device materials such as perovskites. Since there is limited information on ionomer durability for PV module applications, a series of field and accelerated laboratory aging studies were conducted to assess ionomer interface stability in the presence of terrestrial environmental stressors. It is shown that adhesion to the glass and cell interfaces of PV modules is inferior to EVA, both before and after aging, rendering ionomers particularly susceptible to delamination after short timeframes. Potential solutions to improve ionomer adhesion are discussed.

14 SOLAR ENERGY↗

Distinguishing Electron and Hole Dynamics in Functionalized CdSe/CdS Core/Shell Quantum Dots Using Complementary Ultrafast Spectroscopies and Kinetic Modeling

The evolution of excitation energy and photogenerated charges in semiconductor quantum dots (QDs) functionalized with molecular acceptors can be probed on ultrafast time scales using techniques such as transient absorption (TA) spectroscopy. However, historical interpretations that the 1S(e)-1S 3/2 (h) transition in Cd-chalcogenide QDs is fully attributable to electrons may be misleading, and multiexponential models used to fit TA kinetics do not correspond directly to specific photophysical processes. Here, we present visible-wavelength and mid-IR TA and time-resolved photoluminescence measurements to inform a comprehensive kinetic model of the photoexcited CdSe/CdS core/shell QDs functionalized with passivating oleic acid (OA), hole-accepting ferrocene, or electron-accepting naphthalene bisimide (NBI). We show that ~30% of the 1S signal and 72% of the IR signal can originate from holes in well-passivated core/shell QDs. We also demonstrate evidence of electron trapping in OA-capped core/shell QDs, with additional electron transfer and hole trapping in the QDs functionalized with NBI. Electron (hole) trapping and detrapping occur in 450 ± 100 ps (430 ± 70 ps) and 340 ± 100 ps (1.1 ± 0.4 ns) respectively, while the time constant for electron transfer to NBI is ~1.8 ns. The comprehensive picture of photophysical processes provided by the complementary ultrafast techniques and kinetic modeling can accelerate both the fundamental science and application development of nanostructured and molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Establishing a Cell-Free Vibrio natriegens Expression System

We report the fast growing bacterium Vibrio natriegens is an emerging microbial host for biotechnology. Harnessing its productive cellular components may offer a compelling platform for rapid protein production and prototyping of metabolic pathways or genetic circuits. Here, we report the development of a V. natriegens cell-free expression system. We devised a simplified crude extract preparation protocol and achieved >260 μg/mL of superfolder GFP in a small-scale batch reaction after 3 h. Culturing conditions, including growth media and cell density, significantly affect translation kinetics and protein yield of extracts. We observed maximal protein yield at incubation temperatures of 26 or 30 °C, and show improved yield by tuning ions crucial for ribosomal stability. Lastly, this work establishes an initial V. natriegens cell-free expression system, enables probing of V. natriegens biology, and will serve as a platform to accelerate metabolic engineering and synthetic biology applications.

59 BASIC BIOLOGICAL SCIENCES↗

Highly efficient photoelectric effect in halide perovskites for regenerative electron sources

Electron sources are a critical component in a wide range of applications such as electron-beam accelerator facilities, photomultipliers, and image intensifiers for night vision. We report efficient, regenerative and low-cost electron sources based on solution-processed halide perovskites thin films when they are excited with light with energy equal to or above their bandgap. We measure a quantum efficiency up to 2.2% and a lifetime of more than 25 h. Importantly, even after degradation, the electron emission can be completely regenerated to its maximum efficiency by deposition of a monolayer of Cs. The electron emission from halide perovskites can be tuned over the visible and ultraviolet spectrum, and operates at vacuum levels with pressures at least two-orders higher than in state-of-the-art semiconductor electron sources.

36 MATERIALS SCIENCE↗

Data-driven design of electrolyte additives supporting high-performance 5 V LiNi 0.5 Mn 1.5 O 4 positive electrodes

LiNi 0.5 Mn 1.5 O 4 (LNMO) is a high-capacity spinel-structured material with an average lithiation/de-lithiation potential at ca. 4.6–4.7 V vs Li + /Li, far exceeding the stability limits of electrolytes. An efficient way to enable LNMO in lithium-ion batteries is to reformulate an electrolyte composition that stabilizes both graphitic (Gr) negative electrode with solid-electrolyte-interphase and LNMO with cathode-electrolyte-interphase. In this study, we select and test a diverse collection of 28 single and dual additives for the Gr||LNMO battery system. Subsequently, we train machine learning models on this dataset and employ the trained models to suggest 6 binary compositions out of 125, based on predicted final area-specific-impedance, impedance rise, and final specific-capacity. Such machine learning-generated new additives outperform the initial dataset. This finding not only underscores the efficacy of machine learning in identifying materials in a highly complicated application space but also showcases an accelerated material discovery workflow that directly integrates data-driven methods with battery testing experiments.

batteries↗

Quantitative correlation between the void morphology of niobium-tin wires and their irreversible critical current degradation upon mechanical loading

Understanding the critical current performance variation of Nb 3 Sn superconducting wires under mechanical loading is a crucial issue for the design of next generation accelerator and fusion magnets. In these applications, the mechanical properties of the conductors may become a limiting factor due to the strong electro-magnetic forces resulting from the combination of large magnets and intense magnetic fields. In particular, the presence of voids in the superconducting filament structure, which are formed during the fabrication and the reaction heat treatment, determines localized stress concentrations and possibly the formation of cracks. In this work, we demonstrate a quantitative correlation between the void morphology and the electro-mechanical limits measured on different Bronze route Nb 3 Sn wires. Hot Isostatic Pressing (HIP) prior to the reaction heat treatment is utilized to partially eliminate the voids. The wires’ void distributions - with and without HIP treatment - are detected and statistically analyzed using high energy X-ray micro tomography. The stress concentration due to the shape and distribution of the voids as well as their impact on the electro-mechanical properties are determined through finite element method modeling. Lastly, the results are quantitatively correlated with the experimentally determined limits of the irreversible critical current degradation upon mechanical loading.

36 MATERIALS SCIENCE↗

Expeditious synthesis of covalent organic frameworks: a review

Covalent organic frameworks (COFs), a burgeoning class of crystalline porous materials constructed by covalently connecting organic building blocks, have garnered tremendous attention. The predominant solvothermal synthesis of COFs usually requires high temperature and long reaction times (three days or longer), which creates substantial obstacles for their accelerated discovery and exploration in practical applications. Hence, the expeditious synthesis of COFs without compromising their inherent properties is exceedingly appealing from the viewpoint of cost, time, and energy footprint. To overcome the sluggishness of the synthesis, considerable efforts have been invested in the rapid synthesis of high-quality COFs through innovations in energy source, catalyst, solvent, monomer, nucleation, and workup activation, leading to a drastic reduction of reaction time from multiple days to a few hours, and even to seconds in some cases. In this contribution, we provide a comprehensive overview of the advances in expediting the synthesis science of COFs. Though a nascent effort, six prevalent strategies have been identified for the rapid synthesis of COFs, which have led to intriguing applications in a diverse range of areas including gas adsorption, separation, heterogeneous catalysis, environmental remediation, and photodynamic therapy. We also outline the major challenges and perspectives on the future directions empowered by expeditious COF synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗