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At least 343 records · Page 19

Agilent CRADA (Abstract)

The CRADA between Agilent Technologies Inc. and Battelle will focus on five software components as listed below: Prototype 4D Feature Finding functionality with a particular focus on recovering low level features and extending the bottom end dynamic range of IM-MS technology. Compare and contrast developments to current 4D Feature Finding capabilities. Highlight important algorithmic aspects employed. Implement the PNNL saturation correction algorithm. Agilent will give PNNL the needed data file access API and assistance in understanding it implementation and any needed instrumental aspects. Supported high resolution products to include Agilent’s TOF, QTOF and IM-QTOF mass spectrometers. PNNL will then work with Agilent to benchmark performance. Implementation of the PNNL Hadamard de-multiplexing algorithm. Agilent will give provide PNNL the needed date file access API access and as needed assistance in understanding the current Agilent multiplexed IM offering. PNNL will then work with Agilent on benchmark performance. Add ion mobility collision cross sections to existing and new metabolomic libraries for data analysis with Agilent’s informatics program MPP/ID Browser. PNNL will work with Agilent to create a software pipeline that takes data from chemical and metabolic standards and properly formats it for inclusion in MPP accessible libraries, using the collision cross section as a new separation dimension. Improvements of MPP multidimensional matching to identify metabolomic features using multiple characteristics beyond retention time and accurate mass. Most significantly matching will include analyte collision cross section with proposed support for sample fraction or RapidFire cartridge and fragmentation spectra. PNNL will work with Agilent to modify and improve the current MPP analysis pipeline to allow for creating, aligning, and identifying MS features defined by accurate mass, collision cross section and chromatographic retention time. As additional criteria such as fraction or RapidFire cartridge type are supported in the identification process, then they also will become part of the automation workflow. This includes the automation of said system to work with command line program (i.e. not a GUI) sufficient for programmatic execution in a pipeline.

97 MATHEMATICS AND COMPUTING↗

Frontiers in Magnetic Materials

Magnetism is crucial to many modern technologies, a driver for condensed matter physics research and one of the most remarkable and diverse properties of matter. We propose to develop understanding of novel magnetism and magnetic related behavior in materials and use this to accelerate the discovery of forefront magnetic materials. The approach is via the connection of magnetic properties to specific structures and materials. Topics that will be addressed are (1) Metallic magnetic materials with unusually low carrier concentrations and/or moments (2) Magnetism arising from unusual chemistry including 4d and 5d magnetism and (3) Materials with strong spin-fluctuations, which can lead to quantum criticality, spin-fluctuation induced superconductivity and other novel quantum behavior. These topics overlap, for example, the 4d ruthenates include ferromagnets (perovskite SrRuO 3 ), extremely high ordering temperature antiferromagnets (honeycomb lattice SrRu 2 O 6 ) and well as quantum materials with strong spin fluctuations (layered perovskite Sr 2 RuO 4 and Sr 3 Ru 2 O 7 ). We will use of density calculations to connect magnetic properties with chemistry and structure and employ phenomenological theories to extend these results to properties that are not directly given by direct first principles methods and we will conduct tests to explore the limitations of density functional approximations and new functionals.

36 MATERIALS SCIENCE↗

Evidence of charge exchange pumping in calcium-xenon system

Presented evidence shows that charge exchanges between xenon ions and calcium atoms may produce an inversion between 5s or 4d and 4p energy levels of calcium ions. The dependence of measured intensity ratios on power input to the xenon plasma indicates that charge exchange pumping of the 5s and 4d levels predominates over electron collisional pumping of these levels.

Chubb, D. L.↗

Evidence of charge exchange pumping in calcium-xenon system

A flowing xenon plasma seeded with calcium was used to investigate the population mechanism for the 5s and 4d levels of Ca(+). From the dependence of certain line intensity ratios on electron temperature it was concluded that charge exchange between Xe(+) and Ca is the predominate mechanism for populating the 5s and 4d levels. Comparison with intensity ratios obtained in Ca-Ar and Ca-Kr imply the same conclusion.

Chubb, D. L.↗

Simulation of time-control procedures for terminal area flow management

Simulations of a terminal area traffic-management system incorporating automated scheduling and time-control (four-dimensional) techniques conducted at NASA Ames Research Center jointly with the Federal Aviation Administration, have shown that efficient procedures can be developed for handling a mix of 4D-equipped and conventionally equipped aircraft. A crucial role in this system is played by an ATC host computer algorithm, referred to as a speed advisory, that allows controllers to maintain accurate time schedules of the conventionally equipped aircraft in the traffic mix. Results are of the most recent simulations in which two important special cases were investigated. First, the effects of a speed advisory on touchdown time scheduling are examined, when unequipped aircraft are constrained to follow fuel-optimized profiles in the near-terminal area, and rescheduling procedures are developed to handle missed approaches of 4D-equipped aircraft. Various performance measures, including controller opinion, are used to evaluate the effectiveness of the procedures.

Alcabin, M.↗

Development and evaluation of a profile negotiation process for integrating aircraft and air traffic control automation

The development and evaluation of the profile negotiation process (PNP), an interactive process between an aircraft and air traffic control (ATC) that integrates airborne and ground-based automation capabilities to determine conflict-free trajectories that are as close to an aircraft's preference as possible, are described. The PNP was evaluated in a real-time simulation experiment conducted jointly by NASA's Ames and Langley Research Centers. The Ames Center/TRACON Automation System (CTAS) was used to support the ATC environment, and the Langley Transport Systems Research Vehicle (TSRV) piloted cab was used to simulate a 4D Flight Management System (FMS) capable aircraft. Both systems were connected in real time by way of voice and data lines; digital datalink communications capability was developed and evaluated as a means of supporting the air/ground exchange of trajectory data. The controllers were able to consistently and effectively negotiate nominally conflict-free vertical profiles with the 4D-equipped aircraft. The actual profiles flown were substantially closer to the aircraft's preference than would have been possible without the PNP. However, there was a strong consensus among the pilots and controllers that the level of automation of the PNP should be increased to make the process more transparent. The experiment demonstrated the importance of an aircraft's ability to accurately execute a negotiated profile as well as the need for digital datalink to support advanced air/ground data communications. The concept of trajectory space is proposed as a comprehensive approach for coupling the processes of trajectory planning and tracking to allow maximum pilot discretion in meeting ATC constraints.

Green, Steven M.↗

An observing system simulation experiment for the Laser Atmospheric Wind Sounder (LAWS)

The present observing system-simulation experiments evaluate the potential of a Laser Atmospheric Wind Sounder (LAWS) instrument for 5-day forecasting, using a primitive-equation multilevel spectral global circulation model. A 55-deg-inclined and a 98-deg sun-synchronous orbit are examined, by adding LAWS wind profiles into a global 4D data-assimilation system, and comparing both the analyses and forecasts to a control experiment. The 4D data-assimilation system consists of a multivariate optimum interpolation analysis and a nonlinear, normal-mode intialization, using the aforementioned global circulation model.

Rohaly, G. D.↗

Competition Effect in Atomic-Molecular System

The competition effects among the processes of atomic ionization, optical pumped stimulated radiation (OPSR), four-wave frequency mixing (FWFM) and molecular stimulated diffuse band radiation at the atomic two-photon resonance of 3S approaches 4D in Na2 - Na mixture were observed. The dip at the two-photon resonance in the excitation spectrum for the diffuse-band radiation was interpreted as suppression of population in 4D state.

Jia, Suotang↗

Resonance Scattering of Fe XVII X-Ray and EUV Lines

Over the years a number of calculations have been carried out to derive intensities of various X-ray and EUV lines in Fe XVII to compare with observed spectra. The predicted intensities have not agreed with solar observations, particularly for the line at 15.02 Angstroms; resonance scattering has been suggested as the source for much of the disagreement. The atomic data calculated earlier used seven configurations, 2s(sup 2) 2p(sup 6),2s(sup 2) 2p(sup 5)3s, 2s(sup 2) 2p(sup 5)3p, 2s(sup 2)2p(sup 5)3d, 2s2 p(sup 6)3s, 2s2p(sup 6)3p, and 2s2p(sup 6)3d, having n=3 orbitals and the scattering calculations in the distorted wave approximation were carried out only for incident energies above the threshold of the highest fine-structure level. These calculations have now been extended to thirteen configurations by adding six more configurations having n=4 orbitals, namely 2s(sup 2) 2p(sup 5)4s, 2s(sup 2) 2p(sup 5)4p, 2s(sup 2) 2p(sup 5)4d, 2s2p(sup 6)4s, 2s2p(sup 6)4p, and 2s2p(sup 6)4d, giving rise to 73 fine structure levels. The scattering calculations are carried out below as well as above the threshold of the highest fine-structure level. The incident energies below the threshold are 55.8, 65, 70, and 76 Ry and those above are 85, 127.5, 170, 212.5, 255, 340, and 425 Ry. The collision strengths are calculated up to total angular momentum L(sup T) = 33. Level populations and intensity ratios are calculated at various electron temperatures and densities. It is not possible to predict how the ratios would change when configurations with n=5 and 6 orbitals are added but some estimates have been made for a few transitions by Liedhal, who indicates an asymptotic convergence when n=5 and 6 orbitals are added. These improved calculations of Fe XVII change the intensity ratios compared to those obtained earlier, bringing the optically thin F(15.02)/F(16.78) ratio and several other ratios closer to the observed values: However, some disagreement with the solar observations still persists, even though the agreement of the presently calculated optically thin F(15.02)/F(15.26) ratio with the experimental results of Brown et al. and Laming et al. has improved. Some of the remaining discrepancy is still thought to be the effect of opacity, which is consistent with expected physical conditions for solar sources. EUV intensity ratios are also calculated and compared with observations. Level populations and intensity ratios are calculated, as a function of column density of Fe XVII, in the slab and cylindrical geometries. As found previously, the predicted intensities for the resonance lines at 15.02 and 15.26 Angstroms exhibit initial increases in flux relative to the forbidden line at 17.10 Angstroms and the resonance line at 16.78 Angstroms as optical thickness increases. The same behavior is predicted for the lines at 12.262 and 12.122 Angstroms. Predicted intensities for some of the allowed EUV lines are also affected by opacity.

Bhatia, A. K.↗

Prototype Flight Management Capabilities to Explore Temporal RNP Concepts

Next Generation Air Transportation System (NextGen) concepts of operation may require aircraft to fly planned trajectories in four dimensions three spatial dimensions and time. A prototype 4D flight management capability is being developed by NASA to facilitate the development of these concepts. New trajectory generation functions extend today's flight management system (FMS) capabilities that meet a single Required Time of Arrival (RTA) to trajectory solutions that comply with multiple RTA constraints. When a solution is not possible, a constraint management capability relaxes constraints to achieve a trajectory solution that meets the most important constraints as specified by candidate NextGen concepts. New flight guidance functions provide continuous guidance to the aircraft s flight control system to enable it to fly specified 4D trajectories. Guidance options developed for research investigations include a moving time window with varying tolerances that are a function of proximity to imposed constraints, and guidance that recalculates the aircraft s planned trajectory as a function of the estimation of current compliance. Compliance tolerances are related to required navigation performance (RNP) through the extension of existing RNP concepts for lateral containment. A conceptual temporal RNP implementation and prototype display symbology are proposed.

Ballin, Mark G.↗

Comparison of Airborne and Ground-Based Function Allocation Concepts for NextGen Using Human-In-The-Loop Simulations

This paper presents an air/ground functional allocation experiment conducted by the National Aeronautics and Space Administration (NASA) using two human-in-the-Loop simulations to compare airborne and ground-based approaches to NextGen separation assurance. The approaches under investigation are two trajectory-based four-dimensional (4D) concepts; one referred to as "airborne trajectory management with self-separation" (airborne) the other as "ground-based automated separation assurance" (ground-based). In coordinated simulations at NASA's Ames and Langley Research Centers, the primary operational participants -controllers for the ground-based concept and pilots for the airborne concept - manage the same traffic scenario using the two different 4D concepts. The common scenarios are anchored in traffic problems that require a significant increase in airspace capacity - on average, double, and in some local areas, close to 250% over current day levels - in order to enable aircraft to safely and efficiently traverse the test airspace. The simulations vary common independent variables such as traffic density, sequencing and scheduling constraints, and timing of trajectory change events. A set of common metrics is collected to enable a direct comparison of relevant results. The simulations will be conducted in spring 2010. If accepted, this paper will be the first publication of the experimental approach and early results. An initial comparison of safety and efficiency as well as operator acceptability under the two concepts is expected.

Wing, David J.↗

Development of Complexity Science and Technology Tools for NextGen Airspace Research and Applications

The objective of this research by NextGen AeroSciences, LLC is twofold: 1) to deliver an initial "toolbox" of algorithms, agent-based structures, and method descriptions for introducing trajectory agency as a methodology for simulating and analyzing airspace states, including bulk properties of large numbers of heterogeneous 4D aircraft trajectories in a test airspace -- while maintaining or increasing system safety; and 2) to use these tools in a test airspace to identify possible phase transition structure to predict when an airspace will approach the limits of its capacity. These 4D trajectories continuously replan their paths in the presence of noise and uncertainty while optimizing performance measures and performing conflict detection and resolution. In this approach, trajectories are represented as extended objects endowed with pseudopotential, maintaining time and fuel-efficient paths by bending just enough to accommodate separation while remaining inside of performance envelopes. This trajectory-centric approach differs from previous aircraft-centric distributed approaches to deconfliction. The results of this project are the following: 1) we delivered a toolbox of algorithms, agent-based structures and method descriptions as pseudocode; and 2) we corroborated the existence of phase transition structure in simulation with the addition of "early warning" detected prior to "full" airspace. This research suggests that airspace "fullness" can be anticipated and remedied before the airspace becomes unsafe.

Holmes, Bruce J.↗

A UAV-Based Fog Collector Design for Fine-Scale Aerobiological Sampling

Airborne microbes are found throughout the troposphere and into the stratosphere. Knowing how the activity of airborne microorganisms can alter water, carbon, and other geochemical cycles is vital to a full understanding of local and global ecosystems. Just as on the land or in the ocean, atmospheric regions vary in habitability; the underlying geochemical, climatic, and ecological dynamics must be characterized at different scales to be effectively modeled. Most aerobiological studies have focused on a high level: 'How high are airborne microbes found?' and 'How far can they travel?' Most fog and cloud water studies collect from stationary ground stations (point) or along flight transects (1D). To complement and provide context for this data, we have designed a UAV-based modified fog and cloud water collector to retrieve 4D-resolved samples for biological and chemical analysis.Our design uses a passive impacting collector hanging from a rigid rod suspended between two multi-rotor UAVs. The suspension design reduces the effect of turbulence and potential for contamination from the UAV downwash. The UAVs are currently modeled in a leader-follower configuration, taking advantage of recent advances in modular UAVs, UAV swarming, and flight planning.The collector itself is a hydrophobic mesh. Materials including Tyvek, PTFE, nylon, and polypropylene monofilament fabricated via laser cutting, CNC knife, or 3D printing were characterized for droplet collection efficiency using a benchtop atomizer and particle counter. Because the meshes can be easily and inexpensively fabricated, a set can be pre-sterilized and brought to the field for 'hot swapping' to decrease cross-contamination between flight sessions or use as negative controls.An onboard sensor and logging system records the time and location of each sample; when combined with flight tracking data, the samples can be resolved into a 4D volumetric map of the fog bank. Collected samples can be returned to the lab for a variety of analyses. Based on a review of existing flight studies, we have identified ion chromatography, metagenomic sequencing, cell staining and quantification, and ATP quantification as high-priority assays for implementation. Support for specific toxicology assays, such as methylmercury quantification, is also planned.

Design↗

The GMAO Hybrid Ensemble-Variational Atmospheric Data Assimilation System: Version 2.0

This document describes the implementation and usage of the Goddard Earth Observing System (GEOS) Hybrid Ensemble-Variational Atmospheric Data Assimilation System (Hybrid EVADAS). Its aim is to provide comprehensive guidance to users of GEOS ADAS interested in experimenting with its hybrid functionalities. The document is also aimed at providing a short summary of the state-of-science in this release of the hybrid system. As explained here, the ensemble data assimilation system (EnADAS) mechanism added to GEOS ADAS to enable hybrid data assimilation applications has been introduced to the pre-existing machinery of GEOS in the most non-intrusive possible way. Only very minor changes have been made to the original scripts controlling GEOS ADAS with the objective of facilitating its usage by both researchers and the GMAO's near-real-time Forward Processing applications. In a hybrid scenario two data assimilation systems run concurrently in a two-way feedback mode such that: the ensemble provides background ensemble perturbations required by the ADAS deterministic (typically high resolution) hybrid analysis; and the deterministic ADAS provides analysis information for recentering of the EnADAS analyses and information necessary to ensure that observation bias correction procedures are consistent between both the deterministic ADAS and the EnADAS. The nonintrusive approach to introducing hybrid capability to GEOS ADAS means, in particular, that previously existing features continue to be available. Thus, not only is this upgraded version of GEOS ADAS capable of supporting new applications such as Hybrid 3D-Var, 3D-EnVar, 4D-EnVar and Hybrid 4D-EnVar, it remains possible to use GEOS ADAS in its traditional 3D-Var mode which has been used in both MERRA and MERRA-2. Furthermore, as described in this document, GEOS ADAS also supports a configuration for exercising a purely ensemble-based assimilation strategy which can be fully decoupled from its variational component. We should point out that Release 1.0 of this document was made available to GMAO in mid-2013, when we introduced Hybrid 3D-Var capability to GEOS ADAS. This initial version of the documentation included a considerably different state-of-science introductory section but many of the same detailed description of the mechanisms of GEOS EnADAS. We are glad to report that a few of the desirable Future Works listed in Release 1.0 have now been added to the present version of GEOS EnADAS. These include the ability to exercise an Ensemble Prediction System that uses the ensemble analyses of GEOS EnADAS and (a very early, but functional version of) a tool to support Ensemble Forecast Sensitivity and Observation Impact applications.

Todling, Ricardo↗

A UAV-Based Fog Collector Design for Fine-Scale Aerobiological Sampling

Airborne microbes are found throughout the troposphere and into the stratosphere. Knowing how the activity of airborne microorganisms can alter water, carbon, and other geochemical cycles is vital to a full understanding of local and global ecosystems. Just as on the land or in the ocean, atmospheric regions vary in habitability; the underlying geochemical, climatic, and ecological dynamics must be characterized at different scales to be effectively modeled. Most aerobiological studies have focused on a high level: 'How high are airborne microbes found?' and 'How far can they travel?' Most fog and cloud water studies collect from stationary ground stations (point) or along flight transects (1D). To complement and provide context for this data, we have designed a UAV-based modified fog and cloud water collector to retrieve 4D-resolved samples for biological and chemical analysis.Our design uses a passive impacting collector hanging from a rigid rod suspended between two multi-rotor UAVs (Unmanned Aerial Vehicles). The suspension design reduces the effect of turbulence and potential for contamination from the UAV downwash. The UAVs are currently modeled in a leader-follower configuration, taking advantage of recent advances in modular UAVs, UAV swarming, and flight planning.The collector itself is a hydrophobic mesh. Materials including Tyvek, PTFE, nylon, and polypropylene monofilament fabricated via laser cutting, CNC knife, or 3D printing were characterized for droplet collection efficiency using a benchtop atomizer and particle counter. Because the meshes can be easily and inexpensively fabricated, a set can be pre-sterilized and brought to the field for 'hot swapping' to decrease cross-contamination between flight sessions or use as negative controls.An onboard sensor and logging system records the time and location of each sample; when combined with flight tracking data, the samples can be resolved into a 4D volumetric map of the fog bank. Collected samples can be returned to the lab for a variety of analyses. Based on a review of existing flight studies, we have identified ion chromatography, metagenomic sequencing, cell staining and quantification, and ATP quantification as high-priority assays for implementation. Support for specific toxicology assays, such as methyl-mercury quantification, is also planned.

Design↗

A Concept of Operations for Far-Term Surface Trajectory-Based Operations (STBO)

The goal of this far-term STBO (Surface Trajectory-Based Operations) ConOps (Concept of Operations) is to increase the efficiency and predictability of airport surface operations, and reduce the environmental impact, by incorporating a time-based component to surface operations. In the far-term NextGen timeframe, airport surface operations will transition from current-day first-come, first-served operations, to strategically scheduled operations in which pilots are recruited as active participants in meeting the precise time-based goals of NextGen surface operations. The far-term STBO concept includes two-phases. Phase 1 introduces time-based traffic flow constraint points, which divide the taxi route into segments with an assigned Required Time of Arrival (RTA). This Phase 1 approach provides temporal certainty only near the traffic flow constraint points, but not in between. Minimal augmentations to the flight deck are required to support required time of arrival (RTA) management. Phase 2 further increases precision and efficiency by introducing full four-dimensional (4D) trajectories, with an x-y location for all times t. This phase assumes adoption of advanced flight deck equipage enabling higher temporal precision sufficient to support aircraft conformance to 4D trajectories. This allows more precision and less temporal uncertainty at all times along the route.

Surface Trajectory-Based Operations (STBO)↗

Uncertainty Propagation in Pre-Flight Prediction of Unmanned Aerial Vehicle Separation Violation

Current forecasts on the future of aeronautics suggest an in- creasing number of unmanned aerial vehicles entering the low- altitude airspace in the next decades (FAA, 2018; Kopardekar et al., 2016). Small vehicles for package delivery as well as larger vehicles for urban air mobility will change the airspace drastically, increasing density of operations both in time, i.e. high number of take-off and landings per unit time, and in space, operating in dense urban environment. This scenario poses challenges to the current approach to air traffic control, and large efforts from academia, industry and regulatory bodies are dedicated to the development of new traffic management strategies that leverage higher computing and simulating capabilities available today. In this paper, we propose a simple look-ahead approach to predict potential minimum separation violations at the strategic level, that is before vehicles start flying, depending on the predefined 4D trajectories and uncertainty affecting the wind acting along those routes. The wind field is extracted from the NOAA North America Mesoscale Forecast System and interpolated using Gaussian process regression, while uncertainty affecting the expected cruise airspeed is propagated through error intervals. The approach allows the prediction of aircraft separation as a function of time, highlighting potential safety violations that would go undetected if uncertainty affecting the expected 4D trajectories is not considered. The paper will also discuss issues related to accuracy and scalability of the approach to multiple vehicle operations.

Trajectory Prediction↗

Flight Trajectory Prediction Based on Hybrid-Recurrent Networks

The development of future technologies for the National Airspace System (NAS) will be reliant on a new communications infrastructure capable of managing the limited available spectrum for communications among aircraft and ground systems. Emerging approaches to autonomous allocation of aviation spectrum mostlyrely on machine learning techniques, where 4D (longitude, latitude, altitude, time) trajectory prediction is an important data input to enable real-time resource allocation. This study explores and evaluates effective data sources and deep recurrent neural network techniques when determining flight trajectories. Specifically, data are collected and evaluated in a 100-day and 14-day period. Sources of data include NASA Sherlock Data Warehouse, MIT Lincoln Labs Corridor Integrated Weather Service (CIWS), and assorted NOAA weather datasets. Deep learning models for 4D predictions all utilize a hybrid-recurrent technique. A baseline model is considered via the convolutional-LSTM design from the existing literature. The modified design considers Gated Recurrent Units (GRU), Independently Recurrent Neural Networks (IndRNN), and stand-alone self-attention layers. Results indicatethe effectiveness of LSTM and GRUcells for state-of-the-art data processing (interpolation). Additionally, GRUs may be quickly trained with limited data, allowing for exacting improvements with optimizer selection. Attention mechanisms provide notable performance improvements to convolutional layers and may extend dimensional capabilities of a learning model. Finally, NOAA measurements provide only a supplemental value, requiring support from tailored measurements for Air Traffic Management.

Nathan Schimpf↗