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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

A new continuous two-step molecular precursor route to rare-earth oxysulfides Ln{sub 2}O{sub 2}S

A continuous two-step molecular precursor pathway is designed for the preparation of rare-earth oxysulfides Ln{sub 2}O{sub 2}S (Ln=Y, La, Pr, Nd, Sm-Lu). This new route involves a first oxidation step leading to the rare-earth oxysulfate Ln{sub 2}O{sub 2}SO{sub 4} which is subsequently reduced to the rare-earth oxysulfide Ln{sub 2}O{sub 2}S by switching to a H{sub 2}-Ar atmosphere. The whole process occurs at a temperature significantly lower than usual solid state synthesis (T{<=}650 Degree-Sign C) and avoids the use of dangerous sulfur-based gases, providing a convenient route to the synthesis of the entire series of Ln{sub 2}O{sub 2}S. The molecular precursors consist in heteroleptic dithiocarbamate complexes [Ln(Et{sub 2}dtc){sub 3}(phen)] and [Ln(Et{sub 2}dtc){sub 3}(bipy)] (Et{sub 2}dtc=N,N-diethyldithiocarbamate; phen=1,10-phenanthroline; bipy=2,2 Prime -bipyridine) and were synthesized by a new high yield and high purity synthesis route. The nature of the molecular precursor determines the minimum synthesis temperature and influences therefore the purity of the final Ln{sub 2}O{sub 2}S crystalline phase. - Graphical abstract: A continuous two-step molecular precursor pathway was designed for the preparation of rare-earth oxysulfides Ln{sub 2}O{sub 2}S (Ln=Y, La, Pr, Nd, Sm-Lu), starting from heteroleptic dithiocarbamate complexes. The influence of the nature of the molecular precursor on the minimum synthesis temperature and on the purity of the final Ln{sub 2}O{sub 2}S crystalline phase is discussed. Highlights: Black-Right-Pointing-Pointer A new high yield and high purity synthesis route of rare earth dithiocarbamates is described. Black-Right-Pointing-Pointer These compounds are used as precursors in a continuous process leading to rare-earth oxysulfides. Black-Right-Pointing-Pointer The oxysulfides are obtained under much more moderate conditions than previously described.

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

A one-pot, solid-state route for realizing highly visible light active Na-doped gC{sub 3}N{sub 4} photocatalysts

The visible light photocatalytic activity of graphitic carbon nitride (gC{sub 3}N{sub 4}), a promising metal-free photocatalytic material, is rather low, and is not as good as expected. Herein, to realize improved photocatalytic activity, sodium-doped gC{sub 3}N{sub 4} (Na-gC{sub 3}N{sub 4}) is prepared through a novel solid-state process based on the thermal polycondensation of urea in the presence of sodium chloride and ammonium chloride. The proposed solid-state process is simple, requires no solvent, and provides a general route for rapid and large-scale synthesis of metal-doped gC{sub 3}N{sub 4}. The Na species exist in + 1 oxidation state and bind N atoms in the nitride ring of gC{sub 3}N{sub 4}. The photocatalytic activity improvement of gC{sub 3}N{sub 4} for the mineralization of 17α-ethynylestradiol (EE2) under visible light is seen after the Na doping. The improved photocatalytic activity is due to increased absorption of light, increased separation of charge carriers, stronger oxidation ability of valance band holes, and increased specific surface area. The typical photocatalytic activity of 0.6 wt% Na-gC{sub 3}N{sub 4} for the EE2 mineralization with an initial EE2 concentration of 1 mg/L and a catalyst concentration of 1 g/L is 95.7% within 2 h of visible light irradiation. Under identical experimental conditions, the EE2 mineralization by pristine gC{sub 3}N{sub 4} is only 23.5%. - Graphical abstract: Highly visible light active Na-gC{sub 3}N{sub 4} photocatalysts were simply synthesized through a novel one-pot route based on the thermal polycondensation of urea. The doped Na species plays a critical role in improving the photocatalytic activity. Display Omitted - Highlights: • A new solid-state route is introduced to obtain visible light active Na-doped gC{sub 3}N{sub 4}. • The proposed synthesis route is fast, simple, and highly scalable. • Na doping leads to improved light absorption capability. • Na doping leads to improved separation of charge carriers. • Na doping leads to improved photocatalytic activity under visible light.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Aqueous-based route toward Fe:ZnSe semiconductor nanocrystals: Synthesis and characterization

Nearly monodisperse and luminescent Fe-doped ZnSe semiconductor nanocrystals were synthesized by an aqueous-based route. The obtained nanocrystals were characterized by X-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy, energy dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, photoluminescence and ultraviolet-visible absorption spectroscopy. The resulting nanocrystals were well retained in the zinc blende structure, and the Fe dopants were doped into the ZnSe nanocrystals, as confirmed by X-ray photoelectron spectroscopy. From combination of transmission electron microscopy result and computing methods according to ultraviolet-visible absorption spectrum and X-ray diffraction pattern, particle size of the obtained nanocrystals was found to be about 5 nm. Thioglycolic acid as ligand was successfully capped on the surface of the resulting nanocrystals, confirmed by Fourier transform infrared and energy dispersive X-ray spectroscopy. The obtained nanocrystals exhibit an emission peak at 431 nm; and the photoluminescence band is relatively narrow and symmetric, which indicates that the nanocrystals are nearly monodisperse and homogeneous. Absorption shoulder of the resulting nanocrystals is blue-shifted compared with that of corresponding bulk ZnSe, indicating the quantum confinement effect. The possible reaction mechanism of formation of Fe-doped ZnSe nanocrystals in the aqueous solution was also discussed. Our results demonstrate that the aqueous-based route could be successfully adopted for producing high-quality doped semiconductor nanocrystals. - Research Highlights: {yields} An aqueous-based route is demonstrated for synthesizing Fe:ZnSe nanocrystals. {yields} Structure, composition and optical properties of the nanocrystals were investigated. {yields} The synthetic route could be adopted for producing high-quality doped nanocrystals.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Evolution of microstructure, texture and inhibitor along the processing route for grain-oriented electrical steels using strip casting

In the present work, a regular grade GO sheet was produced successively by strip casting, hot rolling, normalizing annealing, two-stage cold rolling with intermediate annealing, primary recrystallization annealing, secondary recrystallization annealing and purification. The aim of this paper was to characterize the evolution of microstructure, texture and inhibitor along the new processing route by comprehensive utilization of optical microscopy, X-ray diffraction and transmission electron microscopy. It was found that a fine microstructure with the ferrite grain size range of 7–12 μm could be obtained in the primary recrystallization annealed sheet though a very coarse microstructure was produced in the initial as-cast strip. The main finding was that the “texture memory” effect on Goss texture started on the through-thickness intermediate annealed strip after first cold rolling, which was not similar to the “texture memory” effect on Goss texture starting on the surface layers of the hot rolled strip in the conventional production route. As a result, the origin of Goss nuclei capable of secondary recrystallization lied in the grains already presented in Goss orientation in the intermediate annealed strip after first cold rolling. Another finding was that fine and dispersive inhibitors (mainly AlN) were easy to be produced in the primary recrystallization microstructure due to the initial rapid solidification during strip casting and the subsequent rapid cooling, and the very high temperature reheating usually used before hot rolling in the conventional production route could be avoided. - Highlights: • A regular grade grain-oriented electrical steel was produced. • Evolution of microstructure, texture and inhibitor was characterized. • Origin of Goss nuclei lied in the intermediate annealed strip. • A fine primary recrystallization microstructure could be produced. • Effective inhibitors were easy to be obtained in the new processing route.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Cellular entry via an actin and clathrin-dependent route is required for Lv2 restriction of HIV-2

Lv2 is a human factor that restricts infection of some HIV-2 viruses after entry into particular target cells. HIV-2 MCR is highly susceptible to Lv2 whereas HIV-2 MCN is not. The block is after reverse transcription but prior to nuclear entry. The viral determinants for this restriction have been mapped to the HIV-2 envelope and the capsid genes. Our model of Lv2 restriction suggests that the route taken into a cell is important in determining whether a productive infection occurs. Here we characterised the infectious routes used by MCN and MCR using chemical compounds and molecular techniques to distinguish between potential pathways. Our results suggest that susceptible MCR can enter restrictive HeLa{sup CD4} cells via two pathways; a clathrin/AP2 mediated endocytic route that is sensitive to Lv2 restriction and an alternative, non-clathrin mediated route, which results in more efficient infection.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Quantum chemistry-assisted synthesis route development

We have been investigating “quantum chemistry-assisted synthesis route development” using in silico screenings and applied the method to several targets. Another example was conducted to develop synthesis routes for a urea derivative, namely 1-(4-(trifluoromethyl)-2-oxo-2H-chromen-7-yl)urea. While five synthesis routes were examined, only three routes passed the second in silico screening. Among them, the reaction of 7-amino-4-(trifluoromethyl)-2H-chromen-2-one and O-methyl carbamate with BF{sub 3} as an additive was ranked as the first choice for synthetic work. We were able to experimentally obtain the target compound even though its yield was as low as 21 %. The theoretical result was thus consistent with that observed. The summary of transition state data base (TSDB) is also provided. TSDB is the key to reducing time of in silico screenings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

New route of phase transition for enhanced TCO property of ZnO: A first-principles study

The ZnO is one of the best transparent conducting oxide (TCO) materials for optoelectronic properties. Primarilly three phases of ZnO namely wurtzite, rocksalt and zincblend along with other prominent phases under different pressure and with different phase transformation routes are reported. The route of phase transformation may differ and depends on the external parameters such as pressure. The conventional route for the phase transformation of wurtzite (B4) phase into CsCl type (B2) phase via rocksalt phase (B1) is estimated at the relatively high pressure value of the 256 GPa. In present paper, we propose a new route of transformation of B4 to B2 phase of ZnO via β-BeO type phase at relatively low pressure value of 43 GPa. In present study, the phase transformation analysis and the electronic structure analysis for different phases are carried out by using density functional theory (DFT). It is also observed that B2 phase have high dispersive nature of bottom of conduction band and consequently high mobility of charge carriers. It indicates the possibility of B2 phase may have better TCO properties among other phases of ZnO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantum routing with teleportation

We study the problem of implementing arbitrary permutations of qubits under interaction constraints in quantum systems that allow for arbitrarily fast local operations and classical communication (LOCC). In particular, we show examples of speedups over swap-based and more general unitary routing methods by distributing entanglement and using LOCC to perform quantum teleportation. We further describe an example of an interaction graph for which teleportation gives a logarithmic speedup in the worst-case routing time over swap-based routing. We also study limits on the speedup afforded by quantum teleportation—showing an O ( N log N ) upper bound on the separation in routing time for any interaction graph—and give tighter bounds for some common classes of graphs. Published by the American Physical Society 2024

Devulapalli, Dhruv (ORCID:000000022612308X)↗
DOE OSTI2025

Integrated Routing and Traffic Signal Control for CAVs via Reinforcement Learning Approach

Incorporating Connected and Automated Vehicles (CAVs) into urban traffic networks presents opportunities and challenges for traffic management systems. This paper aims to develop an integrated routing and traffic signal control system designed explicitly for CAVs, utilizing a Reinforcement Learning (RL) approach. The objective is to enhance traffic flow and improve overall transportation efficiency in the controlled areas. We propose an innovative framework that employs the Deep Reinforcement Learning (DRL) algorithm, especially the Deep Q-network (DQN), to dynamically adjust the number of vehicles in the routes and the duration of traffic signals. Our simulation results demonstrate that a DQN agent successfully optimizes the number of vehicles in the routes and traffic signal timings of traffic signal controllers, eventually reducing total travel time. The study illustrates the potential usage of RL-based systems in managing routing and traffic signals for CAVs, offering a promising opportunity for future urban traffic management strategies.

Park, Jiho [New York University]↗
DOE OSTI2016

Coordinated Platoon Routing in a Metropolitan Network

Platooning vehicles—connected and automated vehicles traveling with small intervehicle distances—use less fuel because of reduced aerodynamic drag. Given a network de- fined by vertex and edge sets and a set of vehicles with origin/destination nodes/times, we model and solve the combinatorial optimization problem of coordinated routing of vehicles in a manner that routes them to their destination on time while using the least amount of fuel. Common approaches decompose the platoon coordination and vehicle routing into separate problems. Our model addresses both problems simultaneously to obtain the best solution. We use modern modeling techniques and constraints implied from analyzing the platoon routing problem to address larger numbers of vehicles and larger networks than previously considered. While the numerical method used is unable to certify optimality for candidate solutions to all networks and parameters considered, we obtain excellent solutions in approximately one minute for much larger networks and vehicle sets than previously considered in the literature.

Larson, Jeffrey↗
DOE OSTI2025

PDPTW-DB: MILP-Based Offline Route Planning for PDPTW with Driver Breaks

The Pickup and Delivery Problem with Time Windows (PDPTW) involves optimizing routes for vehicles to meet pickup and delivery requests within specific time constraints, a challenge commonly faced in logistics and transportation. Microtransit, a flexible and demand-responsive service using smaller vehicles within defined zones, can be effectively modeled as a PDPTW. Yet, the need for driver breaks—a key human constraint—is frequently overlooked in PDPTW solutions, despite being necessary for regulatory compliance. This study presents a novel mixed-integer linear programming formulation for the Pickup and Delivery Problem with Time Windows and Driver Breaks (PDPTW-DB). To the best of our knowledge this formulation is the first to consider mandatory periodic driver breaks within optimized Microtransit routes. The proposed model incorporates regulatory compliant break scheduling directly within the vehicle routing optimization framework. By considering driver break requirements as an integral component of the optimization process, rather than as a post-processing step, the model enables the generation of routes that respect hours of service regulations while minimizing operational costs. This integrated approach facilitates the generation of schedules that are operationally efficient and prioritize driver welfare through driver breaks. We work with a public transit agency from the southern USA, and highlight the specific nuances of driver break optimization, and present a Pickup and Delivery Problem with Time Windows formulation for optimizing Microtransit operations and scheduling driver breaks. We validate our approach using real-world data from the transit agency. Our results validate our formulation in producing cost-effective, and regulation-compliant solutions.

Applied Computing, Transportation↗
DOE OSTI2012

Route-Specific Passage Proportions and Survival Rates for Fish Passing through John Day Dam, The Dalles Dam, and Bonneville Dam in 2010 and 2011

This report fulfills a request of the U.S. Army Engineer District, Portland, Oregon, to produce an interim report of estimates of route-specific fish passage proportions and survival rates for lower Columbia River dams in 2010 and 2011. The estimates are needed to update the Compass Model for the Columbia River Treaty and the new Biological Opinion before detail technical reports are published in late 2012. This report tabulates route-specific fish-passage proportions and survival rates for steelhead and Chinook salmon smolts passing through various sampled routes at John Day Dam, The Dalles Dam, and Bonneville Dam in 2010 and 2011. Results were compiled from analyses of data acquired in spring 2010 and 2011 studies that were specifically designed to estimate dam-passage and forebay-to-tailrace survival rates, travel time metrics, and spill passage efficiency, as stipulated by the 2008 Federal Columbia River Power System Biological Opinion and the Columbia Basin Fish Accords. The study designs allowed for estimation of route-specific fish passage proportions and survival rates as well as estimation of forebay-passage survival, all of which are summarized herein.

13 HYDRO ENERGY↗
DOE OSTI2018

WebTRAGIS: Transportation Routing Analysis Geographic System User’s Manual

The Web-Based Transportation Routing Analysis Geographic Information System (WebTRAGIS) model is a geographic information system tool for modeling transportation routing. WebTRAGIS is deployed as a browser-based application interface, and the routing engine is located on a server at Oak Ridge National Laboratory (ORNL). WebTRAGIS offers users numerous options for route calculation using uniquely value-added network databases for highway, rail, and waterway infrastructures in the continental United States. The model also provides reporting information on population densities for all transportation segments using the LandScan USA population distribution data model.

42 ENGINEERING↗
NASA NTRS1986

An investigation of TNAV equipped aircraft in a simulated en route metering environment

This document presents the results of an effort to estimate how often a TNAV (Time Navigation) equipped aircraft could be given a TNAV clearance in the En Route Metering (ERM) system as a function of the percentage of arriving traffic which is TNAV equipped. A fast-time simulation of Denver Stapleton international arrival traffic in the Denver Air Route Traffic Control Center route structure, including en route metering operations, was used to develop data on estimated conflicts, clearance communications and fuel usage for traffic mixes of 25, 50, 75 and 100% TNAV equipped. This study supports an overall effort by NASA to assess the benefits and required technology for using TNAV-equipped aircraft in the ERM environment.

Groce, J. L.↗
NASA NTRS1991

The effect of model uncertainty on some optimal routing problems

The effect of model uncertainties on optimal routing in a system of parallel queues is examined. The uncertainty arises in modeling the service time distribution for the customers (jobs, packets) to be served. For a Poisson arrival process and Bernoulli routing, the optimal mean system delay generally depends on the variance of this distribution. However, as the input traffic load approaches the system capacity the optimal routing assignment and corresponding mean system delay are shown to converge to a variance-invariant point. The implications of these results are examined in the context of gradient-based routing algorithms. An example of a model-independent algorithm using online gradient estimation is also included.

Mohanty, Bibhu↗
NASA NTRS1992

Traffic routing for multicomputer networks with virtual cut-through capability

Consideration is given to the problem of selecting routes for interprocess communication in a network with virtual cut-through capability, while balancing the network load and minimizing the number of times that a message gets buffered. An approach is proposed that formulates the route selection problem as a minimization problem with a link cost function that depends upon the traffic through the link. The form of this cost function is derived using the probability of establishing a virtual cut-through route. The route selection problem is shown to be NP-hard, and an algorithm is developed to incrementally reduce the cost by rerouting the traffic. The performance of this algorithm is exemplified by two network topologies: the hypercube and the C-wrapped hexagonal mesh.

Kandlur, Dilip D.↗
NASA NTRS1996

A System Concept for Facilitating User Preferences in En Route Airspace

The Federal Aviation Administration is trying to make its air traffic management system more responsive to the needs of the aviation community by exploring the concept of 'free flight' for aircraft flying under instrument flight rules. A logical first step toward free flight could be made without significantly altering current air traffic control (ATC) procedures or requiring new airborne equipment by designing a ground-based system to be highly responsive to 'user preference' in en route airspace while providing for an orderly transition to the terminal area. To facilitate user preference in all en route environments, a system based on an extension of the Center/TRACON Automation System (CTAS) is proposed in this document. The new system would consist of two integrated components. An airspace tool (AT) focuses on unconstrained en route aircraft (e.g., not transitioning to the terminal airspace), taking advantage of the relatively unconstrained nature of their flights and using long-range trajectory prediction to provide cost-effective conflict resolution advisories to sector controllers. A sector tool (ST) generates efficient advisories for all aircraft, with a focus on supporting controllers in analyzing and resolving complex, highly constrained traffic situations. When combined, the integrated AT/ST system supports user preference in any air route traffic control center sector. The system should also be useful in evaluating advanced free-flight concepts by serving as a test bed for future research. This document provides an overview of the design concept, explains its anticipated benefits, and recommends a development strategy that leads to a deployable system.

Vivona, R. A.↗
NASA NTRS1959

Analysis of Acceleration, Airspeed, and Gust-Velocity Data From a Four-Engine Transport Airplane Operating Over a Northwestern United States Alaska Route

Acceleration, airspeed, and altitude data obtained with an NACA VGH recorder from a four-engine commercial transport airplane operating over a northwestern United States-Alaska route were evaluated to determine the magnitude and frequency of occurrence of gust and maneuver accelerations., operating airspeeds, and gust velocities. The results obtained were then compared with the results previously reported in NACA Technical Note 3475 for two similar airplanes operating over transcontinental routes in the United States. No large variations in the gust experience for the three operations were noted. The results indicate that the gust-load experience of the present operation closely approximated that of the central transcontinental route in the United States with which it is compared and showed differences of about 4 to 1 when compared with that of the southern transcontinental route in the United States. In general, accelerations due to gusts occurred much more frequently than those due to operational maneuvers. At a measured normal-acceleration increment of 0.5g, accelerations due to gusts occurred roughly 35 times more frequently than those due to operational maneuvers.

Engel, Jerome N.↗