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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Fragmentation dynamics through geometrical distortion in low-energy electron attachment to carbon disulfide

The dissociation dynamics of dissociative electron attachment to carbon disulfide is studied using the velocity map imaging technique. Ion yields of the S− and CS− fragments are measured as a function of incident electron energy between 2 and 12 eV. Energy and angle-differential yields of the S− fragments are analyzed to investigate the dynamics of the CS2− anion around the 3.8-eV peak. The resonances involved in this fragmentation are identified and characterized in calculations using the well-known R-matrix method. Based on our measurements and the geometry dependence of the calculated resonances, we propose that a geometrical distortion of the transient negative-ion state of CS2 is necessary for S-CS bond dissociation to occur.

Paul, Anirban↗
NASA NTRS1978

H-H, C-H, and C-C NMR spin-spin coupling constants calculated by the FP-INDO method for aromatic hydrocarbons

The FP-INDO (finite perturbation-intermediate neglect of differential overlap) method is used to calculate the H-H, C-H, and C-C coupling constants in hertz for molecules of six different benzenoid hydrocarbons: benzene, naphthalene, biphenyl, anthracene, phenanthrene, and pyrene. The calculations are based on both the actual and the average molecular geometries. It is found that only the actual molecular geometries can always yield the correct relative order of values for the H-H coupling constants. For the calculated C-C coupling constants, as for the calculated C-H coupling constants, the signs are positive (negative) for an odd (even) number of bonds connecting the two nuclei. Agreements between the calculated and experimental values of the coupling constants for all six molecules are comparable to those reported previously for other molecules.

Long, S. A. T.↗
NASA NTRS1985

Differential scattering cross sections for collisions of 0.5-, 1.5-, and 5.0-keV helium atoms with He, H2, N2, and O2

This paper reports the first results of an experimental program established to provide cross section data for use in modeling various atmospheric processes. Absolute cross sections, differential in the scattering angle, have been measured for collisions of 0.5-, 1.5-, and 5.0-keV helium atoms with He, H2, N2, and O2 at laboratory scattering angles between 0.1 deg and 5 deg. The results are the sums of cross sections for elastic and inelastic scattering of helium atoms; charged collision products are not detected. Integration of the differential cross section data yields integral cross sections consistent with measurements by other workers. The apparatus employs a position-sensitive detector for both primary and scattered particles and uses a short target cell with a large exit aperture to ensure a simple and well-defined apparatus geometry.

Newman, J. H.↗
NASA NTRS1991

Effect of nose shape on three-dimensional stagnation region streamlines and heating rates

A new method for calculating the three-dimensional inviscid surface streamlines and streamline metrics using Cartesian coordinates and time as the independent variable of integration has been developed. The technique calculates the streamline from a specified point on the body to a point near the stagnation point by using a prescribed pressure distribution in the Euler equations. The differential equations, which are singular at the stagnation point, are of the two point boundary value problem type. Laminar heating rates are calculated using the axisymmetric analog concept for three-dimensional boundary layers and approximate solutions to the axisymmetric boundary layer equations. Results for elliptic conic forebody geometries show that location of the point of maximum heating depends on the type of conic in the plane of symmetry and the angle of attack, and that this location is in general different from the stagnation point. The new method was found to give smooth predictions of heat transfer in the nose region where previous methods gave oscillatory results.

Hassan, Basil↗
NASA NTRS2000

Session on High Speed Civil Transport Design Capability Using MDO and High Performance Computing

Since the inception of CAS in 1992, NASA Langley has been conducting research into applying multidisciplinary optimization (MDO) and high performance computing toward reducing aircraft design cycle time. The focus of this research has been the development of a series of computational frameworks and associated applications that increased in capability, complexity, and performance over time. The culmination of this effort is an automated high-fidelity analysis capability for a high speed civil transport (HSCT) vehicle installed on a network of heterogeneous computers with a computational framework built using Common Object Request Broker Architecture (CORBA) and Java. The main focus of the research in the early years was the development of the Framework for Interdisciplinary Design Optimization (FIDO) and associated HSCT applications. While the FIDO effort was eventually halted, work continued on HSCT applications of ever increasing complexity. The current application, HSCT4.0, employs high fidelity CFD and FEM analysis codes. For each analysis cycle, the vehicle geometry and computational grids are updated using new values for design variables. Processes for aeroelastic trim, loads convergence, displacement transfer, stress and buckling, and performance have been developed. In all, a total of 70 processes are integrated in the analysis framework. Many of the key processes include automatic differentiation capabilities to provide sensitivity information that can be used in optimization. A software engineering process was developed to manage this large project. Defining the interactions among 70 processes turned out to be an enormous, but essential, task. A formal requirements document was prepared that defined data flow among processes and subprocesses. A design document was then developed that translated the requirements into actual software design. A validation program was defined and implemented to ensure that codes integrated into the framework produced the same results as their standalone counterparts. Finally, a Commercial Off the Shelf (COTS) configuration management system was used to organize the software development. A computational environment, CJOPT, based on the Common Object Request Broker Architecture, CORBA, and the Java programming language has been developed as a framework for multidisciplinary analysis and Optimization. The environment exploits the parallelisms inherent in the application and distributes the constituent disciplines on machines best suited to their needs. In CJOpt, a discipline code is "wrapped" as an object. An interface to the object identifies the functionality (services) provided by the discipline, defined in Interface Definition Language (IDL) and implemented using Java. The results of using the HSCT4.0 capability are described. A summary of lessons learned is also presented. The use of some of the processes, codes, and techniques by industry are highlighted. The application of the methodology developed in this research to other aircraft are described. Finally, we show how the experience gained is being applied to entirely new vehicles, such as the Reusable Space Transportation System. Additional information is contained in the original.

Rehder, Joe↗
DOE OSTI2024

Self-similar Reynolds-averaged mechanical–scalar turbulence models for reshocked Richtmyer–Meshkov instability-induced mixing in the small Atwood number limit

Analytical self-similar solutions to two-, three-, and four-equation Reynolds-averaged mechanical–scalar turbulence models describing incompressible turbulent Richtmyer–Meshkov instability-induced mixing in planar geometry derived in the small Atwood number limit are extended to construct models for reshocked Richtmyer–Meshkov mixing. In this study, the models are based on the turbulent kinetic energy K and its dissipation rate ε, together with the scalar variance S and its dissipation rate χ modeled either differentially or algebraically. The three- and four-equation models allow for a simultaneous description of mechanical and scalar mixing, i.e., mixing layer growth and molecular mixing. Mixing layer growth parameters and other physical observables were obtained explicitly as functions of the model coefficients and were used to calibrate the model coefficients. Here, the solutions for the singly shocked Richtmyer–Meshkov case for the mixing layer width and the turbulent fields are used to construct piecewise-continuous generalizations of these quantities for times after reshock. For generality, the post-reshock mixing layer width is not assumed to grow with the same power-law as the pre-reshock width, and an impulsive approximation applied to Rayleigh–Taylor instability growth is used to establish the expression for the post-reshock width. A four-equation model is then used to illustrate the spatiotemporal behavior of the mean and turbulent fields and late-time turbulent equation budgets across the mixing layer. The reference solutions derived here can provide systematic calibrations and better understanding of mechanical–scalar turbulence models and their predictions for reshocked Richtmyer–Meshkov instability-induced turbulent mixing in the very large Reynolds number limit.

42 ENGINEERING↗
DOE OSTI2022

Simulation of CEFR neutronic start-up tests with FENNECS

This paper presents simulation results of selected Neutronic Start-up Tests of the China Experimental Fast Reactor (CEFR) obtained by the neutronics code FENNECS that have been performed within the frame of the IAEA Coordinated Research Program I31032. The Finite Element Neutronics code FENNECS is developed at GRS and solves the few-group steady-state and transient diffusion equation using a Galerkin-based finite element approach. Its main purpose is the safety assessment of Small Modular Reactors and Micro Reactors with complex geometry (e.g., rotating control drums) which gain increased interest internationally. Serpent has been applied to create reference models of the CEFR and cross-section libraries in 10 energy groups for FENNECS. Using these libraries, the following experiments have been simulated with FENNECS: net criticality, control rod integral and differential worth, void reactivity effect, subassembly exchange reactivity effects and reaction rate distribution. The obtained satisfactory agreements with the measurements represent a valuable contribution to the validation of FENNECS. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1980

Analysis of nonlifting and lifting airfoils in transonic flow by parametric differentiation

A method is presented which allows one to solve nonlinear transonic flow problems by analyzing a sequence of linear equations. The small disturbance formulation of steady transonic flow over airfoils is linearized by considering the perturbations due to small changes in airfoil thickness ratio and angle of attack. Repeatedly incrementing those parameters results in a series of nonlinear solutions and cumulatively determines the effects of large changes in airfoil geometry. Successive line overrelaxation is used to solve the associated linear equations and is coupled with predictor-corrector methods to yield series of nonlinear solutions. Computed pressure distributions on biconvex airfoils show good agreement with experimental data and other transonic prediction methods. Possible extensions to unsteady and/or three-dimensional transonic flow problems are briefly discussed.

Whitlow, W., Jr.↗
DOE OSTI2022

A User Guide to PARET/ANL

PARET was originally created in 1969 at what is now Idaho National Laboratory (INL), to analyze reactivity insertion events in research and test reactor cores cooled by light or heavy water, with fuel composed of either plates or pins. The use of PARET is also appropriate for fuel assemblies with curved fuel plates when their radii of curvatures are large with respect to the fuel plate thickness. The PARET/ANL version of the code has been developed at Argonne National Laboratory (ANL) under the sponsorship of the U.S. Department of Energy/NNSA since the inception of the Reactor Conversion Program. Since Reduced Enrichment for Research and Test Reactors (RERTR) began in 1978, PARET/ANL has been benchmarked to experimental data including SPERT testing, and used to determine the expected transient behavior of a large number of reactors regardless of enrichment both inside and outside the Reactor Conversion Program. This document provides the pertinent information for the use of PARET/ANL Version 7.6. PARET/ANL models the various fueled regions of a reactor core as channels. Each of these channels consists of a single flat fuel plate/pin (including cladding and, optionally, a gap) with water coolant on each side. In slab geometry the coolant channels for a given fuel plate are of identical dimensions (mirror symmetry), but they can be of different thickness in each channel. There can be many channels, but each channel is independent and coupled only through reactivity feedback effects to the whole core. The time-dependent differential equations that represent the system are replaced by an equivalent set of finite-difference equations in space and time, which are integrated numerically. PARET/ANL uses fundamentally the same numerical scheme as RELAP5 for the time-integration of the point-kinetics equations. The one-dimensional thermal-hydraulic model includes temperature-dependent thermal properties of the solid materials, such as heat capacity and thermal conductivity, as well as the transient heat production and heat transfer from the fuel meat to the coolant. Temperature- and pressure-dependent thermal properties of the coolant such as enthalpy, density, thermal conductivity, and viscosity are also used in determining parameters such as friction factors and heat transfer coefficients. The code first determines the steady-state solution for the initial state. Then the solution of the transient is obtained by integration in time and space. Multiple heat transfer, DNB and flow instability correlations are available. The code was originally developed to model reactors cooled by an open loop, which was adequate for rapid transients in pool-type cores. An external loop model appropriate for Miniature Neutron Source Reactors (MNSR’s) was also added to PARET/ANL to model natural circulation within the vessel, heat transfer from the vessel to pool and heat loss by evaporation from the pool. PARET/ANL also contains models for decay heat after shutdown, control rod reactivity versus time or position, time-dependent pump flow, and loss-of-flow event with flow reversal as well as logic for trips on period, power, and flow. Feedback reactivity effects from coolant density changes and temperature changes are represented by tables. Feedback reactivity from fuel heat-up (Doppler Effect) is represented by a four-term polynomial in powers of fuel temperature. Photo-neutrons produced in beryllium or in heavy water may be included in the point-kinetics equations by using additional delayed neutron groups.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1978

The Total In-Flight Simulator (TIFS) aerodynamics and systems: Description and analysis

The aerodynamics, control system, instrumentation complement and recording system of the USAF Total In/Flight Simulator (TIFS) airplane are described. A control system that would allow the ailerons to be operated collectively, as well as, differentially to entrance the ability of the vehicle to perform the dual function of maneuver load control and gust alleviation is emphasized. Mathematical prediction of the rigid body and the flexible equations of longitudinal motion using the level 2.01 FLEXSTAB program are included along with a definition of the vehicle geometry, the mass and stiffness distribution, the calculated mode frequencies and mode shapes, and the resulting aerodynamic equations of motion of the flexible vehicle. A complete description of the control and instrumentation system of the aircraft is presented, including analysis, ground test and flight data comparisons of the performance and bandwidth of the aerodynamic surface servos. Proposed modification for improved performance of the servos are also presented.

Andrisani, D., II↗
NASA NTRS1990

Stimulated Raman shifting of the Nd:YAG fourth harmonic (266 nm) in H2, HD, and D2

The dependence of the first Stokes stimulated Raman conversion efficiency of fourth-harmonic radiation from a Nd:YAG laser at 266 nm has been studied for the isotopic species H2, HD, and D2 as a function of gas pressure and laser energy using a low numerical aperture (about 0.0045) pumping geometry. While the laser energy threshold for first Stokes conversion varies significantly among the species, photon conversion efficiencies of at least 50 percent can be achieved for all of them for laser pump energies at 266 nm of 50 mJ/pulse or less. This study provides a new measurement of the differential cross section for stimulated Raman scattering in HD of 8.1 + or - 2.4 x 10 to the -29th sq cm/sr at 266 nm and at high pressures, and agreement is found with previous measurements of the cross sections for H2 and D2. The results have been used to optimize the laser transmitter system for a differential-absorption lidar to measure tropospheric ozone concentration profiles.

Haner, David A.↗
NASA NTRSDate not supplied

Reconfiguring COSSIR for the Next Generation of Cloud and Precipitation Science

NASA originally developed the Compact Scanning Sub-millimeter Imaging Radiometer (CoSSIR) in the early 2000s, where it was own in the CRYSTAL-FACE and TC4 field experiments. With renewed interest in sub-millimeter remote sensing motivated by the upcoming launch of the EUMETSAT-sponsored Ice Cloud Imager (ICI), along with its potential for inclusion as part of the NASA Decadal Survey Aerosols, CLouds, Convection, and Precipitation (ACCP) observing architecture, CoSSIR is being refurbished to prepare for routine suborbital submillimeter measurements this decade. Upgrades include hardware (procurement of shared parts so that CoSMIR and CoSSIR can fly concurrently) and a change to the channels, with a focus on differential scattering and polarization at eight frequencies ranging from 170 to 640 GHz. As part of the refurbishment, the instrument name has been changed to Configurable Scanning Sub-millimeter Instrument/Radiometer, retaining the same acronym, in order to emphasize the science objectives that are enabled by CoSSIR's unique scanning geometry and channel set. These anticipated capabilities include two-dimensional pro ling of clouds and precipitation and characterization of the geometry (shape and orientation) of large cloud and precipitating ice particles.

Radiometry↗
DOE OSTI2022

Whole core analysis of OECD/NEA TVA-WB1 benchmark exercise 1 using continuous-energy Monte Carlo code MVP with JENDL-4.0u and ENDF/B-VII.0

The TVA WB1 benchmark problem was precisely modeled in accordance with the geometry and material specifications, and benchmark exercise 1 was solved with the MVP code and the nuclear data libraries based on JENDL-4.0u (JENDL-4.0 updated file) and ENDF/B-VII.0. The criticality, the control rod bank worth, the isothermal temperature coefficient (ITC), the integral rod worth of bank D, and differential soluble boron worth (DBW) were obtained. The criticality and the control rod bank worth were compared with the measured data and published calculation results with other codes, Serpent and KENO. The criticality and the control rod bank worth calculated by MVP and the libraries agree with the measured and the published calculation results within the criteria specified in the ANSI/ANS standard. From these results, the calculation model for the MVP and the libraries was verified. The other parameters such as ITC, the integral rod worth, and DBW were also compared between JENDL-4.0u and ENDF/B-VII.0. The comparison of the results shows JENDL-4.0u and ENDF/B-VII.0 give comparable results within the standard deviation, the difference between libraries is small. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Correlating Broadband Photoluminescence with Structural Dynamics in Layered Hybrid Halide Perovskites

The emission of white light from a single material is atypical and is of interest for solid-state lighting applications. Broadband light emission has been observed in some layered perovskite derivatives, A 2 PbBr 4 (A = R-NH 3 + ), and correlates with static structural distortions corresponding to out-of-plane tilting of the lead bromide octahedra. While materials with different organic cations can yield distinct out-of-plane tilts, the underlying origin of the octahedral tilting remains poorly understood. Using high energy resolution (e.g., quasi-elastic) neutron scattering, this contribution details the rotational dynamics of the organic cations in A 2 PbBr 4 materials where A = n-butylammonium (nBA), 1,8-diaminooctammonium (ODA), and 4-aminobutyric acid (GABA). The organic cation dynamics differentiate (nBA) 2 PbBr 4 from (ODA)PbBr 4 or (GABA) 2 PbBr 4 in that the larger spatial extent of dynamics of nBA yields a larger effective cation radius. The larger effective volume of the nBA cation in (nBA) 2 PbBr 4 yields a closer to ideal A-site geometry, preventing the out-of-plane tilt and broadband luminescence. In all three compounds, we observe hydrogen dynamics attributed to rotation of the ammonium headgroup and at a time scale faster than the white light photoluminescence studied by time-correlated single photon counting spectroscopy. This supports a previous assignment of the broadband emission as resulting from a single ensemble, such that the emissive excited state experiences many local structures faster than the emissive decay. Furthermore, the findings presented here highlight the role of the organic cation and its dynamics in hybrid organic–inorganic perovskites and white light emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Context-Aware Learning for Inverse Design in Photovoltaics

This document describes progress in the ARPA-E DIFFERENTIATE project titled “Context-Aware Learning for Inverse Design in Photovoltaics” during the period of May 2019 to May 2022. This project is being performed at Iowa State University, New York University, Stanford University, and National Renewable Energy Laboratory. The project aims to develop a new machine learning (ML) framework to significantly accelerate the design of organic microstructures for improved organic photovoltaic performance. In this project, we had developed an inverse design framework using Deep Learning called InvNets for generating microstructures with desired physics-driven properties. As a preliminary product, in Milestone 3, we demonstrated how InvNets show 20% improvement in the performance of the microstructures and over 100X speedup in the performance compared to traditional processes for physics-driven inverse design. Later, in Milestone 6, we demonstrated that InvNets work for more complex physics properties, specifically, generating microstructures for organic photovoltaic cells with desired current-voltage characteristics. Further, in Milestone 4, we explored the idea of using physics-aware surrogates for obtaining solutions of partial differential equations(PDE) called as DiffNets(now called as NeuFENets to avoid ambiguity of names). The connection between both frameworks is that DiffNet surrogates form the physics-aware surrogate in the InvNet framework. Finally in Milestone 8, we extend our framework for other physics domains. Specifically, we explore building geometry-aware NeuFENets by developing physics surrogates that exploit ideas from traditional immersed boundary finite element methods. With these updates, we are able to achieve all the Milestones.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Nonlinear zero-sum differential game analysis by singular perturbation methods

A class of nonlinear, zero-sum differential games, exhibiting time-scale separation properties, can be analyzed by singular-perturbation techniques. The merits of such an analysis, leading to an approximate game solution, as well as the 'well-posedness' of the formulation, are discussed. This approach is shown to be attractive for investigating pursuit-evasion problems; the original multidimensional differential game is decomposed to a 'simple pursuit' (free-stream) game and two independent (boundary-layer) optimal-control problems. Using multiple time-scale boundary-layer models results in a pair of uniformly valid zero-order composite feedback strategies. The dependence of suboptimal strategies on relative geometry and own-state measurements is demonstrated by a three dimensional, constant-speed example. For game analysis with realistic vehicle dynamics, the technique of forced singular perturbations and a variable modeling approach is proposed. Accuracy of the analysis is evaluated by comparison with the numerical solution of a time-optimal, variable-speed 'game of two cars' in the horizontal plane.

Sinar, J.↗
NASA NTRS1990

Study of two-phase flow in helical and spiral coils

The principal purposes of the present study were to: (1) observe and develop a fundamental understanding of the flow regimes and their transitions occurring in helical and spiral coils; and (2) obtain pressure drop measurements of such flows, and, if possible, develop a method for predicting pressure drop in these flow geometries. Elaborating upon the above, the general intent is to develop criteria (preferably generalized) for establishing the nature of the flow dynamics (e.g. flow patterns) and the magnitude of the pressure drop in such configurations over a range of flow rates and fluid properties. Additionally, the visualization and identification of flow patterns were a fundamental objective of the study. From a practical standpoint, the conditions under which an annular flow pattern exists is of particular practical importance. In the possible practical applications which would implement these geometries, the working fluids are likely to be refrigerant fluids. In the present study the working fluids were an air-water mixture, and refrigerant 113 (R-113). In order to obtain records of flow patterns and their transitions, video photography was employed extensively. Pressure drop measurements were made using pressure differential transducers connected across pressure taps in lines immediately preceding and following the various test sections.

Keshock, Edward G.↗
DOE OSTI2020

Orbital-selective Dirac fermions and extremely flat bands in frustrated kagome-lattice metal CoSn

Layered kagome-lattice 3d transition metals are emerging as an exciting platform to explore the frustrated lattice geometry and quantum topology. However, the typical kagome electronic bands, characterized by sets of the Dirac-like band capped by a phase-destructive flat band, have not been clearly observed, and their orbital physics are even less well investigated. Here, we present close-to-textbook kagome bands with orbital differentiation physics in CoSn, which can be well described by a minimal tight-binding model with single-orbital hopping in Co kagome lattice. The capping flat bands with bandwidth less than 0.2 eV run through the whole Brillouin zone, especially the bandwidth of the flat band of out-of-plane orbitals is less than 0.02 eV along Γ-M. The energy gap induced by spin-orbit interaction at the Dirac cone of out-of-plane orbitals is much smaller than that of in-plane orbitals, suggesting orbital-selective character of the Dirac fermions.

36 MATERIALS SCIENCE↗