Correlation velocities.
Coefficients of Taylor expansion of correlation function in various velocities defined to describe space-time behavior
VELOCITY MEASUREMENT↗
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Photometric functions for photoclinometry and other applications
The simpler Minnaert and lunar-Lambert functions, which are needed to reduce the number of unknown parameters in photoclinometry, are presently given least-squares fits to the brightness profiles across a disk, or 'limb darkening', described by Hapke's photometric function. The variation of limb darkening with single-scattering albedo and the particle-phase function's asymmetry factor are reduced of eliminated when the Hapke parameters are in the range representative of most planetary surfaces, thereby simplifying the problem of photoclinometry across terrains with variable surface materials.
Mcewen, Alfred S.↗
A numerical method for unsteady aerodynamics via acoustics
Formal solutions to the wave equation may be conveniently described within the framework of generalized function theory. A generalized function theory is used to yield a formulation and formal solution of a wave equation describing oscillation of a flat plate from which a numerical method may be derived.
Hodge, Steve↗
Model of visual contrast gain control and pattern masking
We have implemented a model of contrast gain and control in human vision that incorporates a number of key features, including a contrast sensitivity function, multiple oriented bandpass channels, accelerating nonlinearities, and a devisive inhibitory gain control pool. The parameters of this model have been optimized through a fit to the recent data that describe masking of a Gabor function by cosine and Gabor masks [J. M. Foley, "Human luminance pattern mechanisms: masking experiments require a new model," J. Opt. Soc. Am. A 11, 1710 (1994)]. The model achieves a good fit to the data. We also demonstrate how the concept of recruitment may accommodate a variant of this model in which excitatory and inhibitory paths have a common accelerating nonlinearity, but which include multiple channels tuned to different levels of contrast.
NASA Discipline Space Human Factors↗
Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange
Electronic structure calculations based on density functional theory (DFT) have successfully predicted numerous ground-state properties of a variety of molecules and materials. However, exchange and correlation functionals currently used in the literature, including semilocal and hybrid functionals, are often inaccurate to describe the electronic properties of heterogeneous solids, especially systems composed of building blocks with large dielectric mismatch. Here, in this study, we present a dielectric-dependent range-separated hybrid functional, screened-exchange range-separated hybrid (SE-RSH), for the investigation of heterogeneous materials. We define a spatially dependent fraction of exact exchange inspired by the static Coulomb-hole and screened-exchange (COHSEX) approximation used in many-body perturbation theory, and we show that the proposed functional accurately predicts the electronic structure of several nonmetallic interfaces, three- and two-dimensional, pristine, and defective solids and nanoparticles.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Structure optimization with stochastic density functional theory
Linear-scaling techniques for Kohn–Sham density functional theory are essential to describe the ground state properties of extended systems. Still, these techniques often rely on the localization of the density matrix or accurate embedding approaches, limiting their applicability. In contrast, stochastic density functional theory (sDFT) achieves linear- and sub-linear scaling by statistically sampling the ground state density without relying on embedding or imposing localization. In return, ground state observables, such as the forces on the nuclei, fluctuate in sDFT, making optimizing the nuclear structure a highly non-trivial problem. In this work, we combine the most recent noise-reduction schemes for sDFT with stochastic optimization algorithms to perform structure optimization within sDFT. We compare the performance of the stochastic gradient descent approach and its variations (stochastic gradient descent with momentum) with stochastic optimization techniques that rely on the Hessian, such as the stochastic Broyden–Fletcher–Goldfarb–Shanno algorithm. In conclusion, we further provide a detailed assessment of the computational efficiency and its dependence on the optimization parameters of each method for determining the ground state structure of bulk silicon with varying supercell dimensions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A Generalized, Compactly-Supported Correlation Function for Data Assimilation Applications
Correlation functions play an essential role in modern data assimilation, where they are used to model covariances given a set of tunable parameters or applied as tapering functions to localize covariances in ensemble-based schemes. One of the most widely-used correlation functions in data assimilation is the Gaspari and Cohn (1999) piecewise-rational, compactly-supported parametric correlation function (hereafter referred to as GC99). The GC99 correlation function is useful due to its tunable cut-off parameter c and Gaussian-like shape achieved when the parameter a is set to one-half. These properties are attractive for tapering functions in data assimilation applications. However, the GC99 correlation function is homogeneous over Euclidean 3-space and isotropic when restricted to the sphere, properties that may be less than ideal for some geophysical applications. GC99 is also compactly-supported on a sphere of fixed radius, which requires tuning of the cut-off parameter c that can depend on the specific application. This work presents a generalization of the GC99 correlation function that allows the cut-off parameter c and shape parameter a to vary over space to gain more flexibility in shape while maintaining its compact support property. The function, which we call the Generalized Gaspari Cohn (GenGC) correlation function, introduces inhomogeneity in Euclidean 3-space and anisotropy when restricted to the sphere by allowing both parameters c and a to vary, as functions, over the spatial domain. The GC99 correlation function is a special case of GenGC where the functions c and a are held constant, as fixed parameters rather than functions. The GenGC correlation function also generalizes the follow-on to the work of Gaspari and Cohn (1999) presented in Gaspari et al. (2006), which allowed a to vary while keeping c fixed. We illustrate through simple one- and two-dimensional examples the variety of inhomogeneous and anisotropic correlation functions GenGC can produce by varying c and a over space, and suggest applications where they may be useful in data assimilation, such as covariance modeling or localization. In particular, we describe how the GenGC correlation function can be used to construct covariances using correlation length and variance fields derived from dynamics. For example, the correlation length field for advective dynamics is governed by a partial differential equation (PDE) in N spatial dimensions, where N is the number of space dimensions of the state. Correlation length fields can be determined from this PDE and used with GenGC to construct the corresponding correlations. We can then approximate the full covariance by rescaling by the variance, which also satisfies a PDE in N spatial dimensions for advective dynamics. Thus we can approximate the full covariance without solving the covariance PDE, which is in 2N spatial dimensions, by solving just two PDEs each in only N spatial dimensions. This approach to evolving the correlation length and variance fields, then reconstructing the correlations using GenGC, is suggested as an alternative to current methods of covariance modeling in data assimilation algorithms.
GC99↗
Density-functional calculations of the surface tension of liquid Al and Na
Calculations of the surface tensions of liquid Al and Na are described using the full ionic density functional formalism of Wood and Stroud (1983). Surface tensions are in good agreement with experiment in both cases, with results substantially better for Al than those found previously in the gradient approximation. Preliminary minimization with respect to surface profile leads to an oscillatory profile superimposed on a nearly steplike ionic density disribution; the oscillations have a wavellength of about a hardsphere diameter.
Stroud, D.↗
In-Flight Evaluation of the Traffic Aware Planner on the NASA HU-25A Guardian Aircraft
NASA’s Traffic Aware Planner (TAP) software is a research-prototype decision support tool that provides pilots with time- and fuel-saving route recommendations that optimize their current trajectory. The software runs on a first-of-a-kind system architecture onboard three aircraft in revenue service conducting operational evaluations with a major domestic airline. Therefore, significant NASA-internal testing is required prior to releasing the software to the partner airline. This paper describes a flight test plan that exercises the functionality of the TAP software in a representative operational environment, describes the system architecture developed and implemented for the NASA Langley HU-25A Guardian aircraft to support the test objectives, presents outcomes of the flight test campaign, and discusses use cases that demonstrate the value of flight testing for this activity.Research into flight path optimization of transport aircraft conducted by the National Aeronautics and SpaceAdministration (NASA) has produced an operational concept known as Traffic Aware Strategic Aircrew Requests(TASAR) [1, 2]. This near-term concept [3] provides the aircrew with a flight deck decision support tool known asthe Traffic Aware Planner (TAP). The TAP software leverages a growing number of information sources on the flightdeck to make time- and fuel-saving route optimization recommendations to the aircrew while en route. The aircrewcan then use the suggestions provided by the tool to make route change requests with a greater likelihood of acceptanceby air traffic control (ATC). Since TASAR is a concept intended for the current operational environment, it isintentionally designed to have no safety-critical impact or require any changes to current Federal AviationAdministration (FAA) rules and procedures [4, 5].The research prototype TAP system [6–8], explained further in Section III.C, continually incorporates up-to-dateaircraft state data from onboard avionics, as well as the latest position of surrounding traffic, the most recent windforecast, and the most recent convective weather forecast, in order to calculate candidate trajectory modifications thatimprove upon the current active route. These trajectories account for user-selectable objective functions [3] of reducedfuel burn, reduced flight time, or an airline-derived combination of factors known as trip cost. Previous analyses andsimulations have estimated substantial savings for airlines employing this technique within the U.S. National AirspaceSystem (NAS) [9–11]. Operational evaluations with Alaska Airlines seek to validate these projected benefits usingmeasured data while simultaneously providing benefits to the airline [12, 13].The TAP software has undergone a number of human-in-the-loop simulations [14] and flight test activities[15–17] in order to validate the operational concept, evaluate human factors considerations (e.g., workload, usability,distraction, etc.), and to assess the ability of the software to function in a representative operational environment (e.g.,connected to live avionics data, using in-flight internet connectivity, etc.). However, these simulations and flight testcampaigns did not account for the hardware architecture implemented on the three aircraft for Alaska Airlines’operational evaluations of the TAP software. Therefore, a need was identified to thoroughly test the functionality ofthe software in a similar hardware architecture to that of the partner airline’s aircraft. Information regarding testapparatus and environments used to evaluate TAP prior to testing on the HU-25A can be found in reference [18].A campaign of flight trials on a NASA aircraft, the HU-25A Guardian, was conducted to ensure that the researchprototype TAP system functions well in a configuration similar to the Alaska Airlines aircraft prior to deployment.This airborne, networked environment enables an assessment of the operational factors unique to the flight environment. Additionally, this activity evaluated the effectiveness and benefit of new TAP functionality andoperation in a relevant flight environment while allowing the rapid prototyping of new concepts and features.This paper is organized as follows: Section II discusses the details of the flight test plan, flight profiles, and theduties of personnel involved with conducting flight operations. Section III describes the test platform, avionicsequipage, and system architecture. Section IV presents a discussion of results, and Section V contains concludingremarks.
Underwood, Matthew C.↗
Standard formatted data units-control authority operations
The purpose of this document is to illustrate a Control Authority's (CA) possible operation. The document is an interpretation and expansion of the concept found in the CA Procedures Recommendation. The CA is described in terms of the functions it performs for the management and control of data descriptions (metadata). Functions pertaining to the organization of Member Agency Control Authority Offices (MACAOs) (e.g., creating and disbanding) are not discussed. The document also provides an illustrative operational view of a CA through scenarios describing interaction between those roles involved in collecting, controlling, and accessing registered metadata. The roles interacting with the CA are identified by their actions in requesting and responding to requests for metadata, and by the type of information exchanged. The scenarios and examples presented in this document are illustrative only. They represent possible interactions supported by either a manual or automated system. These scenarios identify requirements for an automated system. These requirements are expressed by identifying the information to be exchanged and the services that may be provided by a CA for that exchange.
Source record↗
Direct Aryl C−H Amination with Primary Amines Using Organic Photoredox Catalysis
Abstract The direct catalytic C−H amination of arenes is a powerful synthetic strategy with useful applications in pharmaceuticals, agrochemicals, and materials chemistry. Despite the advances in catalytic C−H functionalization, the use of aliphatic amine coupling partners is limited. Described herein is the construction of C−N bonds, using primary amines, by direct C−H functionalization with an acridinium photoredox catalyst under an aerobic atmosphere. A wide variety of primary amines, including amino acids and more complex amines are competent coupling partners. Various electron‐rich aromatics and heteroaromatics are useful scaffolds in this reaction, as are complex, biologically active arenes. We also describe the ability to functionalize arenes that are not oxidized by an acridinium catalyst, such as benzene and toluene, thus supporting a reactive amine cation radical intermediate.
Margrey, Kaila A.↗
Direct Aryl C-H Amination with Primary Amines Using Organic Photoredox Catalysis
Not provided.
Chemistry↗
Study of the Thermal Neutron Spectrum of the W-Be Photoneutron Source of the INR RAS
The possibility of reconstructing the neutron flux density of a W-Be photoneutron source using neutron activation analysis of Ag, Mn, Fe, Mn, and Ti samples is considered. The use of simple functions as AE{sup –B}, describing particular regions of the spectrum, as a reconstruction option is discussed. The dependence of the deviation of the measured reaction rates on those calculated in this study on the parameters of approximating functions is investigated. The convergence of the reconstruction results is obtained by increasing the amount of experimental data. This reconstruction method can be used for the operational measurement of the thermal neutron flux density of the photoneutron source and for the optimization of the source parameters.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Carbene Functionalization of Monolayer Tungsten Disulfide for Enhanced Quantum Emission
Semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs) are promising materials for an array of applications, ranging from conventional field-effect transistors, photodetectors, and light-emitting diodes to their more recent use in quantum photonic technologies. Chemical functionalization of 2D TMDs with organic ligands and adlayers provides an additional means for customizing their electronic and optical properties. While many pathways have been reported for the chemical functionalization of 2D TMDs, their frequent reliance on solution-based methods results in limited control over adlayer thickness and coverage, thus hindering utility in high-performance applications. Here, in this study, we describe the vapor-phase functionalization of a 2D TMD with carbene ligands, specifically tungsten disulfide (WS 2 ) with N-heterocyclic carbenes (NHCs), resulting in molecularly smooth, thin, and uniform adlayers. Reacting NHCs with monolayer WS 2 reduces the broad photoluminescence background observed at cryogenic temperatures by 58%, which facilitates the detection of single-photon emitters from strained monolayer WS 2 , as indicated by second order correlation values ( g (2) ) as low as 0.17 ± 0.07. Chemical characterization coupled with density functional theory calculations suggests that the NHC adlayer has a dual defect-passivation and doping effect on monolayer WS 2 that results in enhanced single-photon emission. Overall, this study establishes vapor-phase carbene functionalization as a homogeneous surface modification scheme for tailoring the quantum emission properties of semiconducting 2D TMDs.
N-heterocyclic carbenes↗
CELCAP: A Computer Model for Cogeneration System Analysis
A description of the CELCAP cogeneration analysis program is presented. A detailed description of the methodology used by the Naval Civil Engineering Laboratory in developing the CELCAP code and the procedures for analyzing cogeneration systems for a given user are given. The four engines modeled in CELCAP are: gas turbine with exhaust heat boiler, diesel engine with waste heat boiler, single automatic-extraction steam turbine, and back-pressure steam turbine. Both the design point and part-load performances are taken into account in the engine models. The load model describes how the hourly electric and steam demand of the user is represented by 24 hourly profiles. The economic model describes how the annual and life-cycle operating costs that include the costs of fuel, purchased electricity, and operation and maintenance of engines and boilers are calculated. The CELCAP code structure and principal functions of the code are described to how the various components of the code are related to each other. Three examples of the application of the CELCAP code are given to illustrate the versatility of the code. The examples shown represent cases of system selection, system modification, and system optimization.
Source record↗
An Intelligent Agent for the K-12 Educational Community
Nearly every professional would like to have a personal assistant to perform the physical and mental work of searching libraries for needed information. This paper describes a tool which performs this function using commonly available Internet services. The promises and difficulties of developing such a tool are described.
Rorvig, Mark E.↗
Unified Wind-Wave Growth and Spectrum Functions for All Water Depths: Field Observations and Model Results
Abstract Wind-wave development is governed by the fetch- or duration-limited growth principle that is expressed as a pair of similarity functions relating the dimensionless elevation variance (wave energy) and spectral peak frequency to fetch or duration. Combining the pair of similarity functions, the fetch or duration variable can be removed to form a dimensionless function of elevation variance and spectral peak frequency, which is interpreted as the wave energy evolution with wave age. The relationship is initially developed for quasi-neural stability and quasi-steady wind forcing conditions. Further analyses show that the same fetch, duration, and wave-age similarity functions are applicable to unsteady wind forcing conditions, including rapidly accelerating and decelerating mountain gap wind episodes and tropical cyclone (TC) wind fields. Here it is shown that with the dimensionless frequency converted to dimensionless wavenumber using the surface wave dispersion relationship, the same similarity function is applicable in all water depths. Field data collected in shallow to deep waters and mild to TC wind conditions and synthetic data generated by spectrum model computations are assembled to illustrate the applicability. For the simulation work, the finite-depth wind-wave spectrum model and its shoaling function are formulated for variable spectral slopes. Given wind speed, wave age, and water depth, the measured and spectrum-computed significant wave heights and the associated growth parameters are in good agreement in forcing conditions from mild to TC winds and in all depths from deep ocean to shallow lake. Significance Statement This paper presents a growth function and spectrum model to describe wind-wave development in all water depths. Their applicability covers a wide range of wind forcing conditions including steady, accelerating, decelerating, and tropical cyclone events. Support for the unified spectrum model and growth function is presented with field observations and numerical computations.
Hwang, Paul A.↗
Comparison of Dynamic Characteristics for an Inflatable Solar Concentrator in Atmospheric and Thermal Vacuum Conditions
Dynamic testing of an inflatable solar concentrator structure in a thermal vacuum chamber as well as in ambient laboratory conditions is described in detail. Unique aspects of modal testing for the extremely lightweight inflatable are identified, including the use of a noncontacting laser vibrometer measurement system. For the thermal vacuum environment, mode shapes and frequency response functions are compared for three different test article inflation pressures at room temperature. Modes that persist through all the inflation pressure regimes are identified, as well as modes that are unique for each pressure. In atmospheric pressure and room temperature conditions, dynamic measurements were obtained for the expected operational inflation pressure of 0.5 psig. Experimental mode shapes and frequency response functions for ambient conditions are described and compared to the 0.5 psig results from the thermal vacuum tests. Only a few mode shapes were identified that occurred in both vacuum and atmospheric environments. This somewhat surprising result is discussed in detail, and attributed at least partly to 1.) large differences in modal damping, and 2.) significant differences in the mass of air contained by the structure, in the two environments. Results of this investigation point out the necessity of testing inflatable space structures in vacuum conditions before they can be launched. Ground testing in atmospheric pressure is not sufficient for predicting on-orbit dynamics of non-rigidized inflatable systems.
Slade, Kara N.↗