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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 73 records · Page 4

X-ray emission spectroscopy: an effective route to extract site occupation of cations

Cation site occupation is an important determinant of materials properties, especially in a complex system with multiple cations such as in ternary spinels. In this work, we show that XES provides not only the site occupation information as EXAFS, but also additional information on the oxidation states of the cations at each site. Additionally, we show that XES is a superior and a far more accurate method than EXAFS.

Bhargava, Anuj↗

A new non-diffusional gas bubble production route in used nuclear fuel: Implications for fission gas release, cladding corrosion, and next generation fuel design

The relationship between noble metal phase particles and fission gas bubble production in used nuclear fuel is described. The majority of Te atoms within noble metal phase undergo radioactive decay to form stable Xe within a few hours after particle formation. This results in the production of clusters of Xe atoms contained within the solid metal matrix exhibiting an equivalent gas bubble pressure approaching 1 GPa. These high pressure bubbles are stabilized by the UO2 within the bulk of the fuel. However, when these bubbles form near the fuel / cladding interface, in combination with local and temporal damage caused by fission recoil, they are capable of overcoming the fracture strength of the UO2 and rupturing catastrophically. The force of the resulting bubble rupture is sufficient to eject noble metal phase particles several microns into the cladding. This proposed mechanism explains the observance of noble metal phase in cladding and is consistent with a host of morphological features found near the fuel / cladding interface.

Schwantes, Jon M.↗

LOW TEMPERATURE FORMATION OF NITROGEN-SUBSTITUTED POLYCYCLIC AROMATIC HYDROCARBONS (PANHs)—BARRIERLESS ROUTES TO DIHYDRO(iso)QUINOLINES

Meteorites contain bio-relevant molecules such as vitamins and nucleobases, which consist of aromatic structures with embedded nitrogen atoms. Questions remain over the chemical mechanisms responsible for the formation of nitrogen-substituted polycyclic aromatic hydrocarbons (PANHs) in extraterrestrial environments. By exploiting single collision conditions, we show that a radical mediated bimolecular collision between pyridyl radicals and 1,3-butadiene in the gas phase forms nitrogen-substituted polycyclic aromatic hydrocarbons (PANHs) 1,4-dihydroquinoline and to a minor amount 1,4-dihydroisoquinoline. The reaction proceeds through the formation of a van der Waals complex, which circumnavigates the entrance barrier implying it can operate at very low kinetic energy and therefore at low temperatures of 10 K as present in cold molecular clouds such as TMC-1. The discovery of facile de facto barrierless exoergic reaction mechanisms leading to PANH formation could play an important role in providing a population of aromatic structures upon which further photo-processing of ice condensates could occur to form nucleobases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrically coupling complex oxides to semiconductors: A route to novel material functionalities

Complex oxides and semiconductors exhibit distinct yet complementary properties owing to their respective ionic and covalent natures. By electrically coupling complex oxides to traditional semiconductors within epitaxial heterostructures, enhanced or novel functionalities beyond those of the constituent materials can potentially be realized. Essential to electrically coupling complex oxides to semiconductors is control of the physical structure of the epitaxially grown oxide, as well as the electronic structure of the interface. In this paper, we discuss how composition of the perovskite A- and B-site cations can be manipulated to control the physical and electronic structure of semiconductor—complex oxide heterostructures. Two prototypical heterostructures, Ba 1-x Sr x TiO 3 /Ge and SrZr x Ti 1-x O 3 /Ge, will be discussed. In the case of Ba 1-x Sr x TiO 3 /Ge, we discuss how strain can be engineered through A-site composition to enable the re-orientable ferroelectric polarization of the former to be coupled to carriers in the semiconductor. In the case of SrZr x Ti 1-x O 3 /Ge we discuss how B-site composition can be exploited to control the band offset at the interface. Finally, analogous to heterojunctions between compound semiconducting materials, control of band offsets, i.e., band-gap engineering, provides a pathway to electrically couple complex oxides to semiconductors to realize a host of functionalities.

36 MATERIALS SCIENCE↗

Subject Matter Expert Evaluation of Multi-Flight Common Route Advisories

Traffic flow management seeks to balance the demand for National Airspace System (NAS) flight resources, such as airspace and airports, with the available supply. When forecasted weather blocks nominal air traffic routes, traffic managers must re-route affected flights for weather avoidance. Depending on the nature and scope of the weather, traffic managers may use pre-coordinated re-routes such as Playbook Routes or Coded Departure Routes, or may design ad hoc local re-routes. The routes of affected flights are modified accordingly. These weather avoidance routes will, of course, be less efficient than the nominal routes due to increased flight time and fuel burn. In current traffic management operations, the transition into a weather avoidance re-routing initiative is typically implemented more aggressively than the transition out of that initiative after the weather has dissipated or moved away. For example, strategic large-scale Playbook re-routes are sometimes left in place (as initially implemented) for many hours before being lifted entirely when the weather dissipates. There is an opportunity to periodically modify the re-routing plan as weather evolves, thereby attenuating its adverse impact on flight time and fuel consumption; this is called delay recovery. Multi-Flight Common Routes (MFCR) is a NASA-developed operational concept and associated decision support tool for delay recovery, designed to assist traffic managers to efficiently update weather avoidance traffic routes after the original re-routes have become stale due to subsequent evolution of the convective weather system. MFCR groups multiple flights to reduce the number of advisories that the traffic manager needs to evaluate, and also merges these flights on a common route segment to provide an orderly flow of re-routed traffic. The advisory is presented to the appropriate traffic manager who evaluates it and has the option to modify it using MFCRs graphical user interface. If the traffic manager finds the advisory to be operationally appropriate, he or she would coordinate with the Area Supervisor(s) of the sectors that currently control the flights in the advisory. When the traffic manager accepts the MFCR advisory via the user interface, the corresponding flight plan amendments would be sent to the displays of the appropriate sector controllers, using the Airborne Re-Routing (ABRR) capability which is scheduled for nationwide operation in 2017. The sector controllers would then offer this time-saving route modification to the pilots of the affected flights via datalink (or voice), and implement the corresponding flight plan amendment if the pilots accept it. MFCR is implemented as an application in the software environment of the Future Air traffic management Concepts Evaluation Tool (FACET). This paper focuses on an initial subject matter expert (SME) evaluation of MFCR. The evaluation covers MFCRs operational concept, algorithm, and user interface.

Human-in-the-loop Evaluation↗

Subject Matter Expert Evaluation of Multi-Flight Common Route Advisories

Traffic flow management seeks to balance the demand for National Airspace System (NAS) flight resources, such as airspace and airports, with the available supply. When forecasted weather blocks nominal air traffic routes, traffic managers must re-route affected flights for weather avoidance. Depending on the nature and scope of the weather, traffic managers may use pre-coordinated re-routes such as Playbook Routes or Coded Departure Routes, or may design ad hoc local re-routes. The routes of affected flights are modified accordingly. These weather avoidance routes will, of course, be less efficient than the nominal routes due to increased flight time and fuel burn. In current traffic management operations, the transition into a weather avoidance re-routing initiative is typically implemented more aggressively than the transition out of that initiative after the weather has dissipated or moved away. For example, strategic large-scale Playbook re-routes are sometimes left in place (as initially implemented) for many hours before being lifted entirely when the weather dissipates. There is an opportunity to periodically modify the re-routing plan as weather evolves, thereby attenuating its adverse impact on flight time and fuel consumption; this is called delay recovery. Multi-Flight Common Routes (MFCR) is a NASA-developed operational concept and associated decision support tool for delay recovery, designed to assist traffic managers to efficiently update weather avoidance traffic routes after the original re-routes have become stale due to subsequent evolution of the convective weather system. MFCR groups multiple flights to reduce the number of advisories that the traffic manager needs to evaluate, and also merges these flights on a common route segment to provide an orderly flow of re-routed traffic. The advisory is presented to the appropriate traffic manager who evaluates it and has the option to modify it using MFCRs graphical user interface. If the traffic manager finds the advisory to be operationally appropriate, he or she would coordinate with the Area Supervisor(s) of the sectors that currently control the flights in the advisory. When the traffic manager accepts the MFCR advisory via the user interface, the corresponding flight plan amendments would be sent to the displays of the appropriate sector controllers, using the Airborne Re-Routing (ABRR) capability which is scheduled for nationwide operation in 2017. The sector controllers would then offer this time-saving route modification to the pilots of the affected flights via datalink (or voice), and implement the corresponding flight plan amendment if the pilots accept it. MFCR is implemented as an application in the software environment of the Future Air traffic management Concepts Evaluation Tool (FACET). This paper focuses on an initial subject matter expert (SME) evaluation of MFCR. The evaluation covers MFCRs operational concept, algorithm, and user interface.

Traffic flow management↗

Factors Influencing the Evaluation of Spent Fuel Rail Routes - 19010

The U.S. Department of Energy (DOE) is considering use of rail transport for future shipments of commercial spent nuclear fuel (SNF) from where it currently resides to storage or disposal facilities. Rail carriers transporting in commerce certain quantities of 'rail security sensitive materials,' including SNF, face a regulatory requirement from the U.S. Department of Transportation to perform route risk assessments on an annual basis. In performing these assessments, each affected rail carrier must take into consideration twenty-seven different route factors, and document its rationale for selecting preferred and alternative routes on the basis of the safety and security risk analysis results. The major freight rail carriers operating in the U.S. have invested in the development of a proprietary tool, for rail carrier use only, to assist them in making route selections. This tool utilizes operations data input by each affected rail carrier in conjunction with geographic information systems (GIS) data to represent proximate risk factors, to be integrated and assigned to individual points and segments on the railroad network. Separate safety and security risk values are generated for each rail route under consideration. These values are then placed on an equivalent scoring basis and summed together to allow direct comparison between different route options and to rank order each route in terms of its relative attractiveness. Each affected rail carrier files an annual report for evaluation by the Federal Railroad Administration (FRA) that documents its route risk assessment approach and analysis results. DOE has developed its own decision-support tool, Stakeholder Tool for Assessing Radioactive Transportation (START), which is capable of generating and analyzing routing options for transporting SNF by rail in addition to other freight modes. To better understand how affected rail carriers are likely to route SNF shipments in accordance with regulatory requirements and those route factors likely to be most influential in impacting DoE's evaluation of alternative SNF rail routes, a study was undertaken by DOE with the following objectives: - Review the shipment routes that have been historically used by rail carriers to move high hazard materials, including SNF; - Identify the physical, operational and proximate characteristics (attributes) associated with the rail segments that comprise these routes; - Evaluate the relationships between these attributes; - Make suggestions for how to streamline the factors used in DoE's rail route evaluations; - Contrast these relationships with how the factors are used by the rail carriers in applying their tool This paper describes the study approach, analysis results, and implications for rail route selection methodology. Differences between this evaluation and railroad industry information about rail route assessments are also discussed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Constraint-Based Routing Models for the Transport of Radioactive Materials

The Department of Energy (DOE) has a historic programmatic interest in the safe and secure routing, tracking, and transportation risk analysis of radiological materials in the United States. In order to address these program goals, DOE has funded the development of several tools and related systems designed to provide insight to planners and other professionals handling radioactive materials shipments. These systems include the WebTRAGIS (Transportation Routing Analysis Geographic Information System) platform. WebTRAGIS is a browser-based routing application developed at Oak Ridge National Laboratory (ORNL) focused primarily on the safe transport of spent nuclear fuel from US nuclear reactors via railway, highway, or waterway. It is also used for the transport planning of low-level radiological waste to depositories such as the Waste Isolation Pilot Plant (WIPP) facility. One particular feature of WebTRAGIS is its coupling with high-resolution population data from ORNL s LandScan project. This allows users to obtain highly accurate population count and density information for use in route planning and risk analysis. To perform the routing and risk analysis WebTRAGIS incorporates a basic routing model methodology, with the additional application of various constraints designed to mimic US Department of Transportation (DOT), DOE, and Nuclear Regulatory Commission (NRC) regulations. Aside from the routing models available in WebTRAGIS, the system relies on detailed or specialized modal networks for the route solutions. These include a highly detailed network model of the US railroad system, the inland and coastal waterways, and a specialized highway network that focuses on the US interstate system and the designated hazardous materials and Highway Route Controlled Quantity (HRCQ) -designated roadways. The route constraints in WebTRAGIS rely upon a series of attributes assigned to the various components of the different modal networks. Routes are determined via a constrained shortest-path Dijkstra algorithm that has an assigned impedance factor. The route constraints modify the various impedance weights to bias or prefer particular network characteristics as desired by the user. Both the basic route model and the constrained impedance function calculations are determined by a series of network characteristics and shipment types. The study examines solutions under various constraints modeled by WebTRAGIS including possible routes from select shut-down reactor sites in the US to specific locations in the US. For purposes of illustration, the designated destinations are Oak Ridge National Laboratory in Tennessee and the Savannah River Site in South Carolina. To the degree that routes express sameness or variety under constraints serves to illustrate either a) the determinism of particular transport modes by either configuration or regulatory compliance, and/or b) the variety of constrained routes that are regulation compliant but may not be operationally feasible.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A Mixed Integer Linear Program for Solving a Multiple Route Taxi Scheduling Problem

Aircraft movements on taxiways at busy airports often create bottlenecks. This paper introduces a mixed integer linear program to solve a Multiple Route Aircraft Taxi Scheduling Problem. The outputs of the model are in the form of optimal taxi schedules, which include routing decisions for taxiing aircraft. The model extends an existing single route formulation to include routing decisions. An efficient comparison framework compares the multi-route formulation and the single route formulation. The multi-route model is exercised for east side airport surface traffic at Dallas/Fort Worth International Airport to determine if any arrival taxi time savings can be achieved by allowing arrivals to have two taxi routes: a route that crosses an active departure runway and a perimeter route that avoids the crossing. Results indicate that the multi-route formulation yields reduced arrival taxi times over the single route formulation only when a perimeter taxiway is used. In conditions where the departure aircraft are given an optimal and fixed takeoff sequence, accumulative arrival taxi time savings in the multi-route formulation can be as high as 3.6 hours more than the single route formulation. If the departure sequence is not optimal, the multi-route formulation results in less taxi time savings made over the single route formulation, but the average arrival taxi time is significantly decreased.

Montoya, Justin Vincent↗

Contact Graph Routing

Contact Graph Routing (CGR) is a dynamic routing system that computes routes through a time-varying topology of scheduled communication contacts in a network based on the DTN (Delay-Tolerant Networking) architecture. It is designed to enable dynamic selection of data transmission routes in a space network based on DTN. This dynamic responsiveness in route computation should be significantly more effective and less expensive than static routing, increasing total data return while at the same time reducing mission operations cost and risk. The basic strategy of CGR is to take advantage of the fact that, since flight mission communication operations are planned in detail, the communication routes between any pair of bundle agents in a population of nodes that have all been informed of one another's plans can be inferred from those plans rather than discovered via dialogue (which is impractical over long one-way-light-time space links). Messages that convey this planning information are used to construct contact graphs (time-varying models of network connectivity) from which CGR automatically computes efficient routes for bundles. Automatic route selection increases the flexibility and resilience of the space network, simplifying cross-support and reducing mission management costs. Note that there are no routing tables in Contact Graph Routing. The best route for a bundle destined for a given node may routinely be different from the best route for a different bundle destined for the same node, depending on bundle priority, bundle expiration time, and changes in the current lengths of transmission queues for neighboring nodes; routes must be computed individually for each bundle, from the Bundle Protocol agent's current network connectivity model for the bundle s destination node (the contact graph). Clearly this places a premium on optimizing the implementation of the route computation algorithm. The scalability of CGR to very large networks remains a research topic. The information carried by CGR contact plan messages is useful not only for dynamic route computation, but also for the implementation of rate control, congestion forecasting, transmission episode initiation and termination, timeout interval computation, and retransmission timer suspension and resumption.

Burleigh, Scott C.↗