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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Laser-Induced Photoreduction of Iron(III) Oxide Nanoparticles Enhanced by the Presence of Organic Chromophores

Light-induced electron transfer between chromophoric organic matter and Fe(III)-oxides lies at the heart of aqueous Fe(II) fluxes in the photic zone of natural systems. Understanding this photoreductive dissolution process is also essential for developing water purification techniques based on this class of materials. Previously, optical transient absorption spectroscopy (TAS) measurements revealed that sub-picosecond relaxation times of photo-excited rhodamine B (RhB) dye increased when sorbed onto hematite nanoparticles (HNPs), consistent with electron transfer to the oxide. Here, in the present study, we exploit time-resolved X-ray absorption spectroscopy (XAS) at the Fe K-edge to follow the Fe oxidation state for this same process to (i) confirm that RhB photoexcitation leads to interfacial electron transfer and Fe reduction; and (ii) quantify the lifetime of injected electrons as a function of solution conditions. Regardless of RhB dye availability and pH, direct band gap photoexcitation of HNPs yields an Fe(II)-like small polaronic absorption signature with a lifetime of ~ 1 ns, an order of magnitude longer than previously reported. However, when RhB is present at low pH under conditions where dye favorably interacts with the positively charged hematite surface, a second relaxation process approaching microsecond timescales is observed that likely represents back-reaction with the photoexcited adsorbed dye. At pH above neutral, the efficiency of the interfacial electron transfer is diminished by weaker interaction between sorbed dye and particle surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Greenbelt Homes Pilot Program. Summary of Building Envelope Retrofits, Planned HVAC Equipment Upgrades, and Energy Savings

The U.S. Department of Energy Building America team Partnership for Home Innovation wrote a report on Phase 1 of the project that summarized a condition assessment of the homes and evaluated retrofit options within the constraints of the cooperative provided by GHI. Phase 2 was completed following monitoring in the 2013–2014 winter season; the results are summarized in this report. Phase 3 upgrades of heating equipment will be implemented in time for the 2014–2015 heating season and are not part of this report.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Genome Features and Biochemical Characteristics of a Robust, Fast Growing and Naturally Transformable Cyanobacterium Synechococcus elongatus PCC 11801 Isolated from India

Cyanobacteria provide an interesting platform for biotechnological applications due to their efficient photoautotrophic growth, amenability to genetic engineering and the ability to grow on non-arable land. An ideal industrial strain of cyanobacteria would need to be fast growing and tolerant to high levels of temperature, light, carbon dioxide, salt and be naturally transformable. In this study, we report Synechococcus elongatus PCC 11801, a strain isolated from India that fulfills these requirements. The physiological and biochemical characteristics of PCC 11801 under carbon and light-limiting conditions were investigated. PCC 11801 shows a doubling time of 2.3h, that is the fastest growth for any cyanobacteria reported so far under ambient CO2 conditions. Genome sequence of PCC 11801 shows genome identity of ~83% with its closest neighbors Synechococcus elongatus PCC 7942 and Synechococcus elongatus UTEX 2973. The unique attributes of PCC 11801 genome are discussed in light of the physiological characteristics that are needed in an industrial strain. The genome of PCC 11801 shows several genes that do not have homologs in neighbor strains PCC 7942 and UTEX 2973, some of which may be responsible for adaptation to various abiotic stresses. The remarkably fast growth rate of PCC 11801 coupled with its robustness and ease of genetic transformation makes it an ideal candidate for the photosynthetic production of fuels and chemicals.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2010

Physical Conditions of a Lensed Star-Forming Galaxy at Z=1.7

We report rest-frame optical Keck/NIRSPEC spectroscopy of the brightest lensed galaxy yet discovered, RCSGA 032727-132609 at z=1.7037. From precise measurements of the nebular lines, we infer a number of physical properties: redshift, extinction, star formation rate, ionization parameter, electron density, electron temperature, oxygen abundance, and N/O, Ne/O, and Ar/O abundance ratios. The limit on [O III] 4363 A tightly constrains the oxygen abundance via the "direct" or Tc method, for the first time in all metallicity galaxy at z approx.2. We compare this result to several standard "bright-line" O abundance diagnostics, thereby testing these empirically calibrated diagnostics in situ. Finally, we explore the positions of lensed and unlensed galaxies in standard diagnostic diagrams, and explore the diversity of ionization conditions and mass-metallicity ratios at z=2.

Rigby, Jane↗
NASA NTRS2009

Chlorine Isotopes: As a Possible Tracer of Fluid/Bio-Activities on Mars and a Progress Report on Chlorine Isotope Analysis by TIMs

Significantly large mass fractionations between chlorine isotopes (Cl-35, Cl-37) have been reported for terrestrial materials including both geological samples and laboratory materials. Also, the chlorine isotopic composition can be used as a tracer for early solar system processes. Moreover, chlorine is ubiquitous on the Martian surface. Typical chlorine abundances in Gusev soils are approx.0.5 %. The global surface average chlorine abundance also is approx.0.5 %. Striking variations among outcrop rocks at Meridiani were reported with some chlorine abundances as high as approx.2%. Characterizing conditions under which chlorine isotopic fractionation may occur is clearly of interest to planetary science. Thus, we have initiated development of a chlorine isotopic analysis technique using TIMS at NASA-JSC. We present here a progress report on the current status of development at JSC and discuss the possible application of chlorine isotopic analysis to Martian meteorites in a search for fluid- and possibly biological activity on Mars.

Nakamura, N.↗
DOE OSTI2025

Boiling Water Capsule Irradiation Test Device Design Study Report

RELAP5 calculations were conducted to support an experimental design, referred to as water capsule, which can facilitate fuel performance testing within ATR. The main objective is to provide useful insights into the experimental design and operating strategies that can mimic LWR operating conditions within the spatial constraints of the ATR position under consideration. This report summarizes the RELAP5 analysis results based on the most recent water capsule design derived through various tests. To discuss a design under conservative conditions, fuel power is consistently assumed to be 400 W/m in all analyses.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2011

The Physical Conditions of a Lensed Star-Forming Galaxy at Z=1.7

We report rest-frame optical Keck/NIRSPEC spectroscopy of the brightest lensed galaxy yet discovered, RCSGA 032727-132609 at z=1.7037. From precise measurements of the nebular lines, we infer a number of physical properties: redshift ' extinction, star formation rate ' ionization parameter, electron density, electron temperature, oxygen abundance, and N/O, Ne/O, and Ar/O abundance ratios, The limit on [O III] 4363 A tightly constrains the oxygen abundance via the "direct" or Te method, for the first time in an average-metallicity galaxy at z approx.2. We compare this result to several standard "bright-line" O abundance diagnostics, thereby testing these empirically-calibrated diagnostics in situ. Finally, we explore the positions of lensed and unlensed galaxies in standard diagnostic diagrams, to explore the diversity of ionization conditions and mass-metallicity ratios at z=2.

Rigby, Jane↗
DOE OSTI2021

Metastability of Liquid Water Freezing into Ice VII under Dynamic Compression

The ubiquitous nature and unusual properties of water have motivated many studies on its metastability under temperature- or pressure-induced phase transformations. Here, nanosecond compression by a high-power laser is used to create the nonequilibrium conditions where liquid water persists well into the stable region of ice VII. Through our experiments, as well as a complementary theoretical/computational analysis based on classical nucleation theory, we report that the metastability limit of liquid water under nearly isentropic compression from ambient conditions is at least 8 GPa, higher than the 7 GPa previously reported for lower loading rates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

From coin cells to 400 mAh pouch cells: Enhancing performance of high-capacity lithium-ion cells via modifications in electrode constitution and fabrication

In this article we describe efforts to improve performance and cycle life of cells containing Li1.2Ni0.15Mn0.55Co0.1O2-based positive and graphite-based negative electrodes. Initial work to identify high-performing materials, compositions, fabrication variables, and cycling conditions is conducted in coin cells. The resulting information is then used for the preparation of double-sided electrodes, assembly of pouch cells, and electrochemical testing. We report the cycling performance of cells with electrodes prepared under various conditions. Our data indicate that cells with positive electrodes containing 92 wt% Li1.2Ni0.15Mn0.55Co0.1O2, 4 wt% carbons (no graphite), and 4 wt% PVdF (92-4-4) show ~20% capacity fade after 1000 cycles in the 2.5-4.4V range, significantly better than our baseline cells that show the same fade after only 450 cycles. Our analyses indicate that the major contributors to cell energy fade are capacity loss and impedance rise. Therefore incorporating approaches that minimize capacity fade and impedance rise, such as electrode coatings and electrolyte additives, can significantly enhance calendar and cycle life of this promising cell chemistry.

Electrode fabrication↗
NASA NTRS1956

Theoretical and Experimental Investigation of the Effect of Tunnel Walls on the Forces on an Oscillating Airfoil in Two-Dimensional Subsonic Compressible Flow

This report presents a theoretical and experimental investigation of the effect of wind-tunnel walls on the air forces on an oscillating wing in two-dimensional subsonic compressible flow. A method of solving an integral equation which relates the downwash on a wing to the unknown loading is given, and some comparisons are made between the theoretical results and the experimental results. A resonance condition, which was predicted by theory in a previous report (NACA report 1150), is shown experimentally to exist. In addition, application of the analysis is made to a number of examples in order to illustrate the influence of walls due to variations in frequency of oscillation, Mach number , and ratio of tunnel height to wing semichord.

Runyan, Harry L↗
NASA NTRS2012

Flow Control Under Low-Pressure Turbine Conditions Using Pulsed Jets: Experimental Data Archive

This publication is the final report of research performed under an NRA/Cooperative Interagency Agreement, and includes a supplemental CD-ROM with detailed data. It is complemented by NASA/CR-2012-217416 and NASA/CR-2012-217417 which include a Ph.D. Dissertation and an M.S. thesis respectively, performed under this contract. In this study the effects of unsteady wakes and flow control using vortex generator jets (VGJs) were studied experimentally and computationally on the flow over the L1A low pressure turbine (LPT) airfoil. The experimental facility was a six passage linear cascade in a low speed wind tunnel at the U.S. Naval Academy. In parallel, computational work using the commercial code FLUENT (ANSYS, Inc.) was performed at Cleveland State University, using Unsteady Reynolds Averaged Navier Stokes (URANS) and Large Eddy Simulations (LES) methods. In the first phase of the work, the baseline flow was documented under steady inflow conditions without flow control. URANS calculations were done using a variety of turbulence models. In the second phase of the work, flow control was added using steady and pulsed vortex generator jets. The VGJs successfully suppressed separation and reduced aerodynamic losses. Pulsed operation was more effective and mass flow requirements are very low. Numerical simulations of the VGJs cases showed that URANS failed to capture the effect of the jets. LES results were generally better. In the third phase, effects of unsteady wakes were studied. Computations with URANS and LES captured the wake effect and generally predicted separation and reattachment to match the experiments. Quantitatively the results were mixed. In the final phase of the study, wakes and VGJs were combined and synchronized using various timing schemes. The timing of the jets with respect to the wakes had some effect, but in general once the disturbance frequency was high enough to control separation, the timing was not very important. This is the supplemental CD-ROM

Volino, Ralph J.↗
DOE OSTI2020

Ammonia-salt solvent promotes cellulosic biomass deconstruction under ambient pretreatment conditions to enable rapid soluble sugar production at ultra-low enzyme loadings

In this paper, we report a novel ammonia : ammonium salt solvent based pretreatment process that can rapidly dissolve crystalline cellulose into solution and eventually produce highly amorphous cellulose under near-ambient conditions. Pre-activating the cellulose I allomorph to its ammonia–cellulose swollen complex (or cellulose III allomorph) at ambient temperatures facilitated rapid dissolution of the pre-activated cellulose in the ammonia-salt solvent ( i.e. , ammonium thiocyanate salt dissolved in liquid ammonia) at ambient pressures. For the first time in reported literature, we used time-resolved in situ neutron scattering methods to characterize the cellulose polymorphs structural modification and understand the mechanism of crystalline cellulose dissolution into a ‘molecular’ solution in real-time using ammonia-salt solvents. We also used molecular dynamics simulations to provide insight into solvent interactions that non-covalently disrupted the cellulose hydrogen-bonding network and understand how such solvents are able to rapidly and fully dissolve pre-activated cellulose III. Importantly, the regenerated amorphous cellulose recovered after pretreatment was shown to require nearly ~50-fold lesser cellulolytic enzyme usage compared to native crystalline cellulose I allomorph for achieving near-complete hydrolytic conversion into soluble sugars. Lastly, we provide proof-of-concept results to further showcase how such ammonia-salt solvents can pretreat and fractionate lignocellulosic biomass like corn stover under ambient processing conditions, while selectively co-extracting ~80–85% of total lignin, to produce a highly digestible polysaccharide-enriched feedstock for biorefinery applications. Unlike conventional ammonia-based pretreatment processes ( e.g. , Ammonia Fiber Expansion or Extractive Ammonia pretreatments), the proposed ammonia-salt process can operate at near-ambient conditions to greatly reduce the pressure/temperature severity necessary for conducting effective ammonia-based pretreatments on lignocellulose.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Advanced Turbulence Models for Large-Scale Atmospheric Boundary Layer Flows

We present high-fidelity large-eddy-simulation (LES) modeling approaches for the turbulent atmospheric boundary layer (ABL) flows. Wind energy is a prime example of an application driven by ABL. Generation of electrical energy from farms of wind turbines at night in the stable ABL is a particularly interesting situation. In this report, we consider the well-known GEWEX (Global Energy and Water Cycle Experiment) Atmospheric Boundary Layer Study (GABLS) stably stratified benchmark LES case. We use a high-order spectral element code Nek5000/RS, which is supported under the DOE's Exascale Computing Project (ECP) Center for Efficient Exascale Discretizations (CEED) project, targeting application simulations on various acceleration-device based exascale computing platforms. In our earlier ANL report, we demonstrated our newly developed subgrid-scale (SGS) models based on high-pass filter (HPF), mean-field eddy viscosity (MFEV), and Smagorinsky (SMG) with no-slip and traction boundary conditions, provided with low-order statistics, convergence and turbulent structure analysis. In this report, we extend the range of our SGS modeling approaches in the context of the mean-field eddy viscosity (MFEV), to include the solution of an SGS turbulent kinetic energy equation (TKE). We demonstrate the model fidelity of Nek5000/RS in comparison to that of AMR-Wind, a block-structured second-order finite-volume code with adaptive-mesh-refinement capabilities, with which we studied scaling performance for both codes in comparison on DOE's leadership computing platforms.

17 WIND ENERGY↗
DOE OSTI2022

Scalable, Ultrathin, and High-Temperature-Resistant Solid Polymer Electrolytes for Energy-Dense Lithium Metal Batteries

We report all-solid-state batteries (ASSBs) demonstrate great promise, offering high energy density, good thermal stability, and safe operation compared with traditional Li-ion batteries. Among various solid-state electrolytes (SSEs), solid polymer electrolytes (SPEs) offer an attractive choice due to their thinness, low density, and good manufacturability. However, ultrathin SPEs that work with practical current densities or at high temperatures remain challenging, limiting applicable conditions of SPE-based batteries. Here, the authors report a novel scalable, ultrathin, and high-temperature-resistant SPE for ASSBs. This design includes an electrospun polyacrylonitrile (PAN) matrix and polyethylene oxide (PEO)/Li salt ionic conductor, which offers a stable LiF and Li 3 N containing SSE/Li interface. The unique interface—as well as the good mechanical strength—inhibits lithium dendrites and prevents short circuiting. As a result, symmetrical Li-Li cells deliver more than 300 h cyclability at 0.5 mA cm -2 . ASSBs fabricated with only 5 µm-thickness PAN-PEO/lithium bis(trifluoromethanesulfonyl)imide reach 300 cycles at 0.3 C rate at 60 °C. The excellent thermal stability of PAN also results in safer SPEs at high temperatures. The design extends battery operation up to temperatures of 120 and 150 °C, where it achieves 500 cycles at C/2 rate and 100 cycles at 2C rate, respectively.

25 ENERGY STORAGE↗
DOE OSTI2015

Crash Models for Advanced Automotive Batteries: A Review of the Current State of the Art

Safety is a critical aspect of lithium-ion (Li-ion) battery design. Impact/crash conditions can trigger a complex interplay of mechanical contact, heat generation and electrical discharge, which can result in adverse thermal events. The cause of these thermal events has been linked to internal contact between the opposite electrodes, i.e. internal short circuit. The severity of the outcome is influenced by the configuration of the internal short circuit and the battery state. Different loading conditions and battery states may lead to micro (soft) shorts where material burnout due to generated heat eliminates contact between the electrodes, or persistent (hard) shorts which can lead to more significant thermal events and potentially damage the entire battery system and beyond. Experimental characterization of individual battery components for the onset of internal shorts is limited, since it is impractical to canvas all possible variations in battery state of charge, operating conditions, and impact loading in a timely manner. This report provides a survey of modeling and simulation approaches and documents a project initiated and funded by DOT/NHTSA to improve modeling and simulation capabilities in order to design tests that provide leading indicators of failure in batteries. In this project, ORNL has demonstrated a computational infrastructure to conduct impact simulations of Li-ion batteries using models that resolve internal structures and electro-thermo-chemical and mechanical conditions. Initial comparisons to abuse experiments on cells and cell strings conducted at ORNL and Naval Surface Warfare Center (NSWC) at Carderock MD for parameter estimation and model validation have been performed. This research has provided insight into the mechanisms of deformation in batteries (both at cell and electrode level) and their relationship to the safety of batteries.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1961

Trajectory Control in Rendezvous Problems Using Proportional Navigation

The rendezvous problem is defined by the end conditions that the position and velocity of a vehicle and its target are to be matched. In its present form proportional navigation theory allows the interception of a target by the vehicle, that is , the matching of positions. This report extends the theory to include the full rendezvous end conditions. Trajectory constraint equations are derived and the method of computing the required thrust program in idealized problems is outlined. The thrust program obtained results entirely from the trajectory and does not consider the dynamics of the vehicles or errors inherent in a real system. The properties of the thrust program, such as its variation both in magnitude and direction, are examined. An acceleration forcing function is also derived and its properties examined. The theory is applied to the satellite rendezvous problem as an example and some computations are presented.

Cicolani, Luigi S.↗
DOE OSTI2023

Computational and Experimental Characterization of the Ligand Environment of a Ni-Oxo Catalyst Supported in the Metal–Organic Framework NU-1000

Heterogeneous catalysts exhibit significant changes in composition due to the influence of operating conditions, and these compositional changes can have dramatic effects on catalytic performance. For traditional bulk metal heterogeneous catalysts, relationships between composition and catalytic operating conditions are well documented. However, the influence of operating conditions on the compositions of single-site heterogeneous catalysts remains largely unresolved. To address this, we report a combined computational and experimental characterization of a Ni oxo catalyst under catalytic hydrogenation conditions. Specifically, pair distribution function (PDF) analysis is combined with ab initio thermodynamic modeling to investigate ligand environments present on a Ni oxo cluster supported in the metal–organic framework NU-1000. Comparisons of the experimentally observed and simulated Ni–O coordination numbers and Ni–O, Ni···Ni, and Ni···Zr distances provide insight into the Ni ligand environment under H 2 (g). These comparisons suggest significant OH and H 2 O content and, further, that different Ni ions within the cluster and/or NU-1000 structure may comprise subtly different numbers of these ligands. Further, the observation of significant H 2 O content under H 2 (g) suggests that the NU-1000 support supplies H 2 O to the cluster. Examples of ligand environments that could lead to the observed PDFs are provided. Furthermore, the combination of simulations and experiments provides new insights into the ligand environment for Ni-NU-1000 catalysts that will be useful for understanding the ligand environments of other single-site Ni catalysts as well.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗