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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Demonstration of Prognostics-Enabled Decision Making Algorithms on a Hardware Mobile Robot Test Platform

Prognostics-enabled Decision Making (PDM) is an emerging research area that aims to integrate prognostic health information and knowledge about the future operating conditions into the process of selecting subsequent actions for the system. Previous work developing and testing PDM algorithms has been done in simulation; this paper describes the effort leading to a successful demonstration of PDM algorithms on a hardware mobile robot platform. The hardware platform, based on the K11 planetary rover prototype, was modified to allow injection of selected fault modes related to the rover’s electrical power subsystem. The PDM algorithms were adapted to the hardware platform, including development of a software module framework, a new route planner, and modifications to increase the algorithms’ robustness to sensor noise and system timing issues. A set of test scenarios was chosen to demonstrate the algorithms’ capabilities. The modifications to run with a hardware platform, the test scenarios, and the test results are described in detail. The results show a successful use of PDM algorithms on a hardware test platform to optimize mission planning in the presence of electrical system faults.

Prognosis↗
DOE OSTI2025

Capture of volatile RuO 4 from oxidized simulated used nuclear fuel solutions

Ruthenium is a challenging fission product in used nuclear fuel (UNF) reprocessing due to its complex redox chemistry, variable speciation in nitric acid, partial extractability, and volatility. This work presents a strategy for Ru removal based on the volatilization of RuO 4 using the strong oxidant sodium bismuthate, followed by RuO 2 deposition onto various substrates. Among the materials tested, polymer-based substrates such as polyolefin wax film (Parafilm®), exhibited superior performance, achieving up to near-quantitative Ru removal from solution. After dissolution of the substrate, 99.6% of the Ru was recovered as RuO 2 . The deposition mechanism onto the polyolefin wax film involves both physisorption and chemical reaction through oxidative cleavage of olefinic bonds within the polymer. In contrast, on inorganic substrates such as Al foil, RuO 4 undergoes incomplete surface adsorption and reduction, as confirmed by FTIR and XPS analyses. This approach remains effective under conditions of simulated oxidation of UNF solutions, selectively removing Ru while leaving other fission products in solution. As a result, capture of RuO 4 offers a practical and efficient strategy for ruthenium decontamination and recovery, offering a route for integration into existing UNF reprocessing flowsheets to enhance overall process safety and performance.

Ruthenium↗
DOE OSTI2023

Room temperature valley polarization via spin selective charge transfer

Abstract The two degenerate valleys in transition metal dichalcogenides can be used to store and process information for quantum information science and technology. A major challenge is maintaining valley polarization at room temperature where phonon-induced intervalley scattering is prominent. Here we demonstrate room temperature valley polarization in heterostructures of monolayer MoS 2 and naphthylethylammine based one-dimensional chiral lead halide perovskite. By optically exciting the heterostructures with linearly polarized light close to resonance and measuring the helicity resolved photoluminescence, we obtain a degree of polarization of up to −7% and 8% in MoS 2 /right-handed (R-(+)-) and left-handed (S-(-)-) 1-(1-naphthyl)ethylammonium lead iodide perovskite, respectively. We attribute this to spin selective charge transfer from MoS 2 to the chiral perovskites, where the perovskites act as a spin filter due to their chiral nature. Our study provides a simple, yet robust route to obtain room temperature valley polarization, paving the way for practical valleytronics devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

FY20 Status Report on Creep Rupture Testing to Support the Development of Alloy 709 Code Case

This report provides an update on the status of the creep rupture testing on the first commercial heat of Alloy 709 in support of the Alloy 709 Code Case development. A creep test laboratory has been set up at ANL that comprises of 15 indirectly loaded test frames capable of testing ASTM-size specimens of the commercial heat of Alloy 709. The systems are equipped with high temperature furnaces capable of operation up to 1000°C in an air environment. During FY18, uniaxial ASTM-sized creep specimens were fabricated from 9 Alloy 709 plates that were processed by AOD, ESR, and ESR-homogenized routes and subsequently solution annealed at 1050, 1100, and 1150°C, and creep-rupture tests were performed at 330MPa and 600°C. The test results led to the down selection of the ESR-1100°C condition to support the code case. In FY19, 15 creep-rupture tests of the ESR-1100°C material, requiring the use of Type K thermocouples, were initiated to support the 100,000-hour Code Case. 8 tests were completed in FY19. In FY20, 6 tests were completed at the time of writing this report. In addition, 1 more test were loaded in FY20, using Type S thermocouples, and was completed. This report presents the data from the completed tests in FY20 and also the microstructural characterization of the fractured specimens. The creep data enabled the preliminary analysis of the creep behavior of this material. The characterization showed that in brittle fractures, the pores were narrow and thin, and elongated in the direction perpendicular to the loading direction, while in ductile fractures, the pores were much rounder. Dense precipitates were observed in all the samples, the size of which grew with test temperature. Some of the precipitates could be identified to be M23C6 based on their cuboid shape.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1994

Photovoltaic electric power applied to Unmanned Aerial Vehicles (UAV)

Photovoltaic electric-powered flight is receiving a great deal of attention in the context of the United States' Unmanned Aerial Vehicle (UAV) program. This paper addresses some of the enabling technical areas and their potential solutions. Of particular interest are the long-duration, high-altitude class of UAV's whose mission it is to achieve altitudes between 60,000 and 100,000 feet, and to remain at those altitudes for prolonged periods performing various mapping and surveillance activities. Addressed herein are studies which reveal the need for extremely light-weight and efficient solar cells, high-efficiency electric motor-driven propeller modules, and power management and distribution control elements. Since the potential payloads vary dramatically in their power consumption and duty cycles, a typical load profile has been selected to provide commonality for the propulsion power comparisons. Since missions vary widely with respect to ground coverage requirements, from repeated orbiting over a localized target to long-distance routes over irregular terrain, we have also averaged the power requirements for on-board guidance and control power, as well as ground control and communication link utilization. In the context of the national technology reinvestment program, wherever possible we modeled components and materials which have been qualified for space and defense applications, yet are compatible with civilian UAV activities. These include, but are not limited to, solar cell developments, electric storage technology for diurnal operation, local and ground communications, power management and distribution, and control servo design. And finally, the results of tests conducted by Wright Laboratory on ultralight, highly efficient MOCVD GaAs solar cells purchased from EPI Materials Ltd. (EML) of the UK are presented. These cells were also used for modeling the flight characteristics of UAV aircraft.

Geis, Jack↗
NASA NTRS2010

A Near-Term Concept for Trajectory Based Operations with Air/Ground Data Link Communication

An operating concept and required system components for trajectory-based operations with air/ground data link for today's en route and transition airspace is proposed. Controllers are fully responsible for separation as they are today, and no new aircraft equipage is required. Trajectory automation computes integrated solutions to problems like metering, weather avoidance, traffic conflicts and the desire to find and fly more time/fuel efficient flight trajectories. A common ground-based system supports all levels of aircraft equipage and performance including those equipped and not equipped for data link. User interface functions for the radar controller's display make trajectory-based clearance advisories easy to visualize, modify if necessary, and implement. Laboratory simulations (without human operators) were conducted to test integrated operation of selected system components with uncertainty modeling. Results are based on 102 hours of Fort Worth Center traffic recordings involving over 37,000 individual flights. The presence of uncertainty had a marginal effect (5%) on minimum-delay conflict resolution performance, and windfavorable routes had no effect on detection and resolution metrics. Flight plan amendments and clearances were substantially reduced compared to today s operations. Top-of-descent prediction errors are the largest cause of failure indicating that better descent predictions are needed to reliably achieve fuel-efficient descent profiles in medium to heavy traffic. Improved conflict detections for climbing flights could enable substantially more continuous climbs to cruise altitude. Unlike today s Conflict Alert, tactical automation must alert when an altitude amendment is entered, but before the aircraft starts the maneuver. In every other failure case tactical automation prevented losses of separation. A real-time prototype trajectory trajectory-automation system is running now and could be made ready for operational testing at an en route Center in 1-2 years.

McNally, David↗
DOE OSTI2017

Facile and low cost oxidative conversion of MoS{sub 2} in α-MoO{sub 3}: Synthesis, characterization and application

This study describes a facile low cost route to synthesize the α-MoO{sub 3} through a conversion of the precursor MoS{sub 2} in oxidant media. The structure and morphology of the α-MoO{sub 3} were studied by high resolution transmission electron microscopy (HRTEM) and selected area electron diffraction (SAED), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. The results show that α-MoO{sub 3} was obtained with reduced size, high purity, strongly-preferred orientation and structural defects, which ensures versatility and multifunctionality to this sample. For the purpose of applications, α-MoO{sub 3} was successfully employed in inverted organic solar cells devices as a possible alternative to the PEDOT:PSS in the hole transportation layer. - Graphical abstract: Synthesis process based on low cost oxidative conversion of MoS{sub 2} in α-MoO{sub 3} Display Omitted - Highlights: • A facile route to obtain α-MoO{sub 3} by refluxing the MoS{sub 2} precursor in oxidant media. • High purity and strongly-preferred orientation. • Belt-shaped material. • Enhanced conversion efficiency (PCE) when compared with conventional PEDOT:PSS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Instrumentation and Control Selection for the 12 GeV Hall-B Magnets at Jefferson Lab

Here, as part of the Jefferson Lab 12 GeV accelerator upgrade, the Experimental Physics Hall B detector system requires two superconducting magnets – a Torus and a Solenoid. The specifications required maximum space for the detectors which led to the choice of conduction cooling for each magnet. The Torus consists of 6 trapezoidal 'race-track'-type coils connected in series with an operating current of 3770 A. The Solenoid is an actively shielded 5 Tesla magnet consisting of 5 coils connected in series operating at 2416 A. Within the hall the two magnets are located in close proximity to each other and are surrounded by particle detectors. We describe the philosophy behind the instrumentation selection and control design that accounts for this proximity and other challenging working conditions. We describe the choice of sensor technologies, as well as the control and data acquisition methods. The magnet power and cryogenic control sub-systems are implemented using Allen Bradley Control Logix 1756-L72 Programmable Logic Controllers. Sensor instrumentation read-backs are routed into the PLC via National Instruments cRIO hardware (Field Programmable Gate Arrays or FPGA/RT application) using Jefferson Lab designed FPGA-based multi-sensor-excitation-chassis. Configuration, monitoring, and alarm handlers for the magnet systems are provided via an Experimental Physics Instrumentation & Control System interface (EPICS). Failure Modes and Effects Analysis (FMEA) and the requirement to monitor critical parameters during operation guided the selection of instrumentation and associated hardware. The design of the quench protection and voltage tap sub-systems was driven by the anticipated level of voltages developed during a magnet quench. The primary hard-wired quench detection and protection sub-system together with the secondary PLC-based protection sub-system is also discussed. The successful commissioning and subsequent performance of these magnets demonstrates the robustness of the design and implementation approach that was adopted by the Jefferson Lab team and serves as an excellent 'How To' guide for future projects of this size and complexity.

12 GeV↗
DOE OSTI2019

Selective triplet exciton formation in a single molecule

The formation of excitons in organic molecules by charge injection is an essential process in organic light-emitting diodes (OLEDs). According to a simple model based on spin statistics, the injected charges form spin-singlet (S1) excitons and spin-triplet (T 1 ) excitons in a 1:3 ratio. After the first report of a highly efficient OLED based on phosphorescence, which is produced by the decay of T 1 excitons, more effective use of these excitons has been the primary strategy for increasing the energy efficiency of OLEDs. Another route to improving OLED energy efficiency is reduction of the operating voltage. Because T 1 excitons have lower energy than S 1 excitons (owing to the exchange interaction), use of the energy difference could—in principle—enable exclusive production of T 1 excitons at low OLED operating voltages. However, a way to achieve such selective and direct formation of these excitons has not yet been established. Here we report a single-molecule investigation of electroluminescence using a scanning tunnelling microscope and demonstrate a simple method of selective formation of T 1 excitons that utilizes a charged molecule. A 3,4,9,10-perylenetetracarboxylicdianhydride (PTCDA) molecule adsorbed on a three-monolayer NaCl film atop Ag(111) shows both phosphorescence and fluorescence signals at high applied voltage. In contrast, only phosphorescence occurs at low applied voltage, indicating selective formation of T 1 excitons without creating their S 1 counterparts. The bias voltage dependence of the phosphorescence, combined with differential conductance measurements, reveals that spin-selective electron removal from a negatively charged PTCDA molecule is the dominant formation mechanism of T 1 excitons in this system, which can be explained by considering the exchange interaction in the charged molecule. Our findings show that the electron transport process accompanying exciton formation can be controlled by manipulating an electron spin inside a molecule. We anticipate that designing a device taking into account the exchange interaction could realize an OLED with a lower operating voltage.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2006

Recent Selected Ion Flow Tube (SIFT) Studies Concerning the Formation of Amino Acids in the Gas Phase

Recently the simplest amino acid, glycine, has been detected in interstellar clouds, ISC, although this has since been contested. In order to substantiate either of these claims, plausible routes to amino acids need to be investigated. For gas phase synthesis, the SIFT technique has been employed to study simple amino acids via ion-molecule reactions of several ions of interstellar interest with methylamine, ethylamine, formic acid, acetic acid, and methyl formate. Carboxylic acid type ions were considered in the reactions involving the amines. In reactions where the carboxylic acid and methyl formate neutrals were studied, the reactant ions were primarily amine ion fragments. It was observed that the amines and acids preferentially fragment or accept a proton whenever energetically possible. NH3(+), however, uniquely reacted with the neutrals via atom abstraction to form NH4(+). These studies yielded a body of data relevant to astrochemistry, supplementing the available literature. However, the search for gas phase routes to amino acids using conventional molecules has been frustrated. Our most recent research investigates the fragmentation patterns of several amino acids and several possible routes have been suggested for future study.

Jackson, Douglas M.↗
DOE OSTI2020

The Critical Role of Reductive Steps in the Nickel-Catalyzed Hydrogenolysis and Hydrolysis of Aryl Ether C-O Bonds

Hydrogenolysis of the aromatic C-O bond in aryl ethers is catalyzed by Ni in decalin or water at 150 °C. Observations of a significant kinetic isotope effect (kH/kD = 5.7) for the reactions of diphenyl ether under H2 and D2 and a positive dependence of the rate on H2 chemical potential in decalin indicate that addition of H to the aromatic ring is the rate-limiting step rather than C-O scission. Hydrogen addition occurs on the metal before C-O bond scission. DFT calculations indicate that hydrogen atom addition to the ortho position followed by C-O scission is energetically more feasible than C-O scission followed by H addition to either phenoxyl or phenyl moieties. Hydrogenolysis initiated via H addition in water is more selective (~75 %) compared to reactions in decalin (~30 %). The high selectivity for hydrogenolysis is attributed to stabilization of polar transition state by water as a polar solvent.

Wang, Meng↗
DOE OSTI2019

The Critical Role of Reductive Steps in the Nickel‐Catalyzed Hydrogenolysis and Hydrolysis of Aryl Ether C−O Bonds

Abstract The hydrogenolysis of the aromatic C−O bond in aryl ethers catalyzed by Ni was studied in decalin and water. Observations of a significant kinetic isotope effect ( k H / k D =5.7) for the reactions of diphenyl ether under H 2 and D 2 atmosphere and a positive dependence of the rate on H 2 chemical potential in decalin indicate that addition of H to the aromatic ring is involved in the rate‐limiting step. All kinetic evidence points to the fact that H addition occurs concerted with C−O bond scission. DFT calculations also suggest a route consistent with these observations involving hydrogen atom addition to the ipso position of the phenyl ring concerted with C−O scission. Hydrogenolysis initiated by H addition in water is more selective (ca. 75 %) than reactions in decalin (ca. 30 %).

36 MATERIALS SCIENCE↗
DOE OSTI2021

3D printing of lignin: Challenges, opportunities and roads onward

Abstract As the second most abundant biopolymer on earth, and as a resource recently becoming more available in separated and purified form on an industrial scale due to the development of new isolation technologies, lignin has a key role to play in transitioning our material industry towards sustainability. Additive manufacturing (AM), the most efficient‐material processing technology to date, has likewise made great strides to promote sustainable industrial solutions to our needs in engineered products. Bringing lignin research to AM has prompted the emergence of the nascent “lignin 3D printing” field. This review presents the recent state of art of this promising field and highlights its challenges and opportunities. Following a review of the industrial availability, molecular attributes, and associated properties of technical lignins, we review R&D efforts at implementing lignin systems in extrusion‐based and stereolithography (SLA) printing technologies. Doing so underlines the adage of lignin research that “all lignins are not created equal,” and stresses the opportunity nested in this chemical diversity created mostly by differences in isolation conditions to molecularly select and tune the attributes of technical lignin systems towards desirable properties, be it by modification or polymer blending. Considering the AM design process in its entirety, we finally propose onward routes to bring the full potential to this emerging field. We hope that this review can help promote the unique value and overdue industrial role of lignin in sustainable engineered materials and products.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Mutual information-assisted adaptive variational quantum eigensolver

Adaptive construction of ansatz circuits offers a promising route towards applicable variational quantum eigensolvers on near-term quantum hardware. Those algorithms aim to build up optimal circuits for a certain problem and ansatz circuits are adaptively constructed by selecting and adding entanglers from a predefined pool. In this work, we propose a way to construct entangler pools with reduced size by leveraging classical algorithms. Our method uses mutual information between the qubits in classically approximated ground state to rank and screen the entanglers. The density matrix renormalization group method is employed for classical precomputation in this work. We corroborate our method numerically on small molecules. Our numerical experiments show that a reduced entangler pool with a small portion of the original entangler pool can achieve same numerical accuracy. Here, we believe that our method paves a new way for adaptive construction of ansatz circuits for variational quantum algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Direct carbon-carbon coupling of furanics with acetic acid over Bronsted zeolites

Effective carbon-carbon coupling of acetic acid to form larger products while minimizing CO 2 emissions is critical to achieving a step change in efficiency for the production of transportation fuels from sustainable biomass. Here, we report the direct acylation of methylfuran with acetic acid in the presence ofwater, all ofwhich can be readily produced from biomass. This direct coupling limits unwanted polymerization of furanics while producing acetyl methylfuran. Reaction kinetics and density functional theory calculations illustrate that the calculated apparent barrier for the dehydration of the acid to form surface acyl species is similar to the experimentally measured barrier, implying that this step plays a significant role in determining the net reaction rate. Water inhibits the overall rate, but selectivity to acylated products is not affected.We show that furanic species effectively stabilize the charge of the transition state, therefore lowering the overall activation barrier. These results demonstrate a promising new route to C–C bond–forming reactions for the production of higher-value products from biomass.

09 BIOMASS FUELS↗
DOE OSTI2019

Metal Oxide Nanoarrays for Chemical Sensing: A Review of Fabrication Methods, Sensing Modes, and Their Inter-correlations

In recent years, engineered nanostructure assemblies such as nanowire arrays have attracted much research attention due to their unique chemical and functional characteristics collectively. The engineered nano-assemblies usually carry the characteristics distinct from bulk as a result of a size effect in their comprised elemental building blocks. The nanoscale size induced high surface-to-volume ratio is a fundamental attribute responsible for various chemical and physical properties required in various technologically important applications such as catalysts and sensors. This review article surveys the latest progress in engineered metal oxide nanostructure arrays, i.e., nanoarrays, for advanced chemical sensors' design and application. It starts with an overview of gaseous chemical sensors followed by surveys of various fabrication methods and routes for metal oxide nanoarrays. Different sensing modes and corresponding applications have been highlighted in the mixed gaseous chemical sensing, which provides new approaches and perspectives to meet the challenges of selective gas sensing, such as the cross-sensitivity and inter-correlation of multiple sensing signals.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Enhanced Second and Third Harmonic Generations in Metasurfaces Enabled through Point Group Design and Accidental Bound States in the Continuum

Here, we investigate enhanced second‑ and third‑harmonic generation (SHG and THG) in GaAs metasurfaces by combining electromagnetic point‑group designs with accidental bound states in the continuum (BICs). Using group theory, we predict the existence, suppression, and polarization selection rules of SHG and THG for metasurfaces belonging to the D 2h and C 2v point groups. In D 2h metasurfaces, inversion symmetry suppresses SHG while enabling polarization‑selective THG, which is strongly enhanced near accidental BICs with ultrahigh Q‑factors approaching 107. By breaking inversion symmetry to form C 2v metasurfaces through the introduction of nanogaps, SHG is now allowed and is dramatically enhanced near accidental BICs. Importantly, accidental BICs preserve polarization selection rules while providing a robust parameter range for high‑Q resonances, in contrast to quasi‑BICs induced by symmetry breaking. Our results demonstrate that the combination of point‑group theory and accidental‑BIC engineering offers a predictive and robust route toward highly efficient nonlinear metasurfaces.

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

Theoretical assessments of CO 2 activation and hydrogenation pathways on transition-metal surfaces

Carbon dioxide (CO 2 ) hydrogenation on transition-metal active sites offers a promising carbon utilization route toward mitigating greenhouse gas emissions. C 1 products are often formed in parallel during CO 2 hydrogenation, prompting investigations into the intrinsic properties of transition metals that drive activity and product selectivity. Here, in this work, close-packed surfaces of a selection of transition-metal catalysts (Ni, Co, Rh, Ru, Pd, and Pt) were studied with density functional theory (DFT) calculations to understand their fundamental reactivities for CO 2 transformation reactions. Results indicate that CO 2 conversion proceeds through CO* formation and hydrogenation to form C 1 products (* denotes an adsorbed species). Ni, Co, Rh, and Ru favor CO/CH 4 formation, while Pd and Pt favor CO/CH 3 OH formation. The ability of a metal to dissociate C-O bonds drives selectivity between CH 4 and CH 3 OH, while competition between CO* desorption and surface hydrogenation describes CO selectivities. The C-O bond dissociation steps often impose the highest barrier along CH 4 formation reaction profiles, suggesting their kinetic relevance for CH 4 formation rates. The provided DFT-derived data sets detail a comprehensive reaction network of elementary steps relevant to C 1 chemistries, ultimately offering a benchmark for insights into design strategies for materials that exploit transition-metal active sites in carbon capture or utilization processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗