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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Accuracy requirements and benchmark experiments for CFD validation

The role of experiment in the development of Computational Fluid Dynamics (CFD) for aerodynamic flow prediction is discussed. The CFD verification is a concept that depends on closely coordinated planning between computational and experimental disciplines. Because code applications are becoming more complex and their potential for design more feasible, it no longer suffices to use experimental data from surface or integral measurements alone to provide the required verification. Flow physics and modeling, flow field, and boundary condition measurements are emerging as critical data. Four types of experiments are introduced and examples are given that meet the challenge of validation: flow physics experiments; flow modeling experiments; calibration experiments; and verification experiments. Measurement and accuracy requirements for each of these differ and are discussed. A comprehensive program of validation is described, some examples given, and it is concluded that the future prospects are encouraging.

Marvin, Joseph G.↗
NASA NTRS2015

Applied Operations Research: Augmented Reality in an Industrial Environment

Augmented reality is the application of computer generated data or graphics onto a real world view. Its use provides the operator additional information or a heightened situational awareness. While advancements have been made in automation and diagnostics of high value critical equipment to improve readiness, reliability and maintenance, the need for assisting and support to Operations and Maintenance staff persists. AR can improve the human machine interface where computer capabilities maximize the human experience and analysis capabilities. NASA operates multiple facilities with complex ground based HVCE in support of national aerodynamics and space exploration, and the need exists to improve operational support and close a gap related to capability sustainment where key and experienced staff consistently rotate work assignments and reach their expiration of term of service. The initiation of an AR capability to augment and improve human abilities and training experience in the industrial environment requires planning and establishment of a goal and objectives for the systems and specific applications. This paper explored use of AR in support of Operation staff in real time operation of HVCE and its maintenance. The results identified include identification of specific goal and objectives, challenges related to availability and computer system infrastructure.

Cole, Stuart K.↗
NASA NTRS2014

Unsteady Aerodynamic Validation Experiences From the Aeroelastic Prediction Workshop

The AIAA Aeroelastic Prediction Workshop (AePW) was held in April 2012, bringing together communities of aeroelasticians, computational fluid dynamicists and experimentalists. The extended objective was to assess the state of the art in computational aeroelastic methods as practical tools for the prediction of static and dynamic aeroelastic phenomena. As a step in this process, workshop participants analyzed unsteady aerodynamic and weakly-coupled aeroelastic cases. Forced oscillation and unforced system experiments and computations have been compared for three configurations. This paper emphasizes interpretation of the experimental data, computational results and their comparisons from the perspective of validation of unsteady system predictions. The issues examined in detail are variability introduced by input choices for the computations, post-processing, and static aeroelastic modeling. The final issue addressed is interpreting unsteady information that is present in experimental data that is assumed to be steady, and the resulting consequences on the comparison data sets.

Heeg, Jennifer↗
NASA NTRS1993

Multiblock Navier-Stokes solutions about the F/A-18 wing-LEX-fuselage configuration

Three-dimensional thin-layer Navier-Stokes computations are presented for the F/A-18 configuration. The modeled configuration includes an accurate surface representation of the fuselage, leading-edge extension (LEX), and wing, both with and without leading-edge flap deflection. A multiblock structured grid strategy is employed to decompose the computational flowfield domain around the subject configuration. Steady-state solutions are obtained from an algorithm that solves the compressible Navier-Stokes equations with an upwind-biased, flux-difference splitting approach. The results presented are based on a fully turbulent flow assumption, simulating the high Reynolds number flow conditions that correspond to a recent FI A-18 flight experiment. Good agreements between the computations and the flight test results are obtained for both surface flow patterns as well as surface pressure distributions. Furthermore, a correlation between the computed LEX vortex-core and the flight test results, observed by way of smoke visualization, is also presented.

Aircraft configurations↗
NASA NTRS1979

An evaluation of four single element airfoil analytic methods

A comparison of four computer codes for the analysis of two-dimensional single element airfoil sections is presented for three classes of section geometries. Two of the computer codes utilize vortex singularities methods to obtain the potential flow solution. The other two codes solve the full inviscid potential flow equation using finite differencing techniques, allowing results to be obtained for transonic flow about an airfoil including weak shocks. Each program incorporates boundary layer routines for computing the boundary layer displacement thickness and boundary layer effects on aerodynamic coefficients. Computational results are given for a symmetrical section represented by an NACA 0012 profile, a conventional section illustrated by an NACA 65A413 profile, and a supercritical type section for general aviation applications typified by a NASA LS(1)-0413 section. The four codes are compared and contrasted in the areas of method of approach, range of applicability, agreement among each other and with experiment, individual advantages and disadvantages, computer run times and memory requirements, and operational idiosyncrasies.

Freuler, R. J.↗
NASA NTRS1992

Numerical studies of the fluid and optical fields associated with complex cavity flows

Numerical solutions for the flowfield about several cavity configurations have been computed using the Reynolds averaged Navier-Stokes equations. Comparisons between numerical and experimental results are made in two dimensions for free shear layers and a rectangular cavity, and in three dimensions for the transonic aero-window problem of the Stratospheric Observatory for Infrared Astronomy (SOFIA). Results show that dominant acoustic frequencies and magnitudes of the self excited resonant cavity flows compare well with the experiment. In addition, solution sensitivity to artificial dissipation and grid resolution levels are determined. Optical path distortion due to the flow field is modelled geometrically and is found to match the experiment. The fluid field was computed using a diagonalized scheme within an overset mesh framework. An existing code, OVERFLOW, was utilized with the additions of characteristic boundary condition and output routines required for reduction of the unsteady data. The newly developed code is directly applicable to a generalized three dimensional structured grid zone. Details are provided in a paper included in Appendix A.

Atwood, Christopher A.↗
NASA NTRS1983

Simulations of beam excited minor species gyroharmonics in the Porcupine experiment

An active experiment for the study of wave particle interaction in the presence of a perpendicular beam type distribution is considered. The experiment involves the injection of a beam perpendicular to the magnetic field. Beam parameters can then be varied while local plasma parameters and associated wave phenomena are measured. Such an experiment was conducted as part of the Porcupine project. The present investigation has the objective to explain theoretically and by means of plasma particle simulations, some of the wave observations obtained. In the experiment, a main rocket payload and four subpayloads were employed. The subpayloads were ejected radially in different directions at an altitude of 240 km. One of the spinning subpayloads contained a plasma gun which emitted a beam of 200 eV xenon ions toward the main payload. The data recorded on the main payload revealed the existence of electrostatic waves with peaks at hydrogen gyroharmonics. A series of computer simulations approximating the xenon experiment was performed. The interpretation of the data is discussed.

Roth, I.↗
DOE OSTI2025

Toward Computation-Guided Design of Tunable Organic-Inorganic CdS Quantum Dot Binary Superlattices

Combining the advantages of structural programmability in sequence-defined biomimetic molecules and the controllable packing geometry in nanoparticle superlattices, we demonstrate a self-assembled organic-inorganic superlattice whose structure can be altered with the slightest change in the sequence of the organic counterpart. Here, oleate-coated CdS quantum dots (QDs) form a square-packed superlattice with a 1:1 molar equivalence of a di-block amphiphilic peptoid (Nbrpe6Dig) in chloroform. In contrast, no apparent structure is observed in the organic solvent alone. Based on theoretical evidence, we show that the assembly is a binary superlattice where both the CdS QDs and the peptoids serve as building blocks and further predict a correlation between the superlattice structure and the peptoid sequence. The computationally guided prediction is validated by experiments where superlattice transformation is observed with modified peptoids. The mechanism identified in our work inspires new ways to control and tune organic-inorganic hybrid nanomaterial self-assembly.

Qi, Xin↗
NASA NTRS1972

On the stability and pointing of an attached double-gimbal experiment package

The pointing capability of a double gimbal experiment isolation and control system of the Apollo telescope mount (ATM) type was investigated. Three composite structural models of an experiment package connected through frictionless gimbals to a carrier vehicle (including a rigid package-rigid carrier model, a rigid package-flexible carrier model, and a flexible package-flexible carrier model) were used, and a linear model of the nominal ATM gimbal control system is considered. A linear stability analysis was performed to verify stability of the control system with nominal gains. Transform techniques were used to compute pointing errors onboard the experiment package due to random crew motions input into the carrier vehicle. Results of the investigation indicate that there is no stability problem due to flexible coupling of the experiment package and the carrier, and that the ATM-type system is capable of pointing accuracies better than 0.1 arc second.

Groom, N. J.↗
NASA NTRS1989

Rarefied gas dynamics

The current state of those aspects of rarefied gas dynamics research that appear to be most important to research planned over the next decade is evaluated. These aspects encompass assessments of computational rarefied-gas dynamics (CRGD) that will allows their use as surrogates for experiments, the development of hybris-flowfield computational techniques matching continuum computations with particle computations, and the validation of CRGD through the results of experimental studies of Knudsen layers in simple flows. The design of surfaces for the achievement of stable, low-momentum and thermal accommodation coefficients will be a major priority, together with theorization and experimentation on evaporation and condensation effects close to surfaces.

Muntz, E. P.↗
DOE OSTI2025

The gravitational path integral from an observer’s point of view

One of the fundamental problems in quantum gravity is to describe the experience of a gravitating observer in generic spacetimes. In this paper, we develop a framework for describing non-perturbative physics relative to an observer using the gravitational path integral. We apply our proposal to an observer that lives in a closed universe and one that falls behind a black hole horizon. We find that the Hilbert space that describes the experience of the observer is much larger than the Hilbert space in the absence of an observer. In the case of closed universes, the Hilbert space is not one-dimensional, as calculations in the absence of the observer suggest. Rather, its dimension scales exponentially with ${G}_{N}^{-1}$. Similarly, from an observer’s perspective, the dimension of the Hilbert space in a two-sided black hole is increased. We compute various observables probing the experience of a gravitating observer in this Hilbert space. We find that an observer experiences non-trivial physics in the closed universe in contrast to what it would see in a one-dimensional Hilbert space. In the two-sided black hole setting, our proposal implies that non-perturbative corrections to effective field theory for an infalling observer are suppressed until times exponential in the black hole entropy, resolving a recently-raised puzzle in black hole physics. While the framework that we develop is exemplified in the toy-model of JT gravity, most of our analysis can be extended to higher dimensions and, in particular, to generic spacetimes not admitting a conventional holographic description, such as cosmological universes or black hole interiors.

2D gravity↗
DOE OSTI2021

CAS without SCF—Why to use CASCI and where to get the orbitals

The complete active space self-consistent field (CASSCF) method has seen broad adoption due to its ability to describe the electronic structure of both the ground and excited states of molecules over a broader swath of the potential energy surface than is possible with the simpler Hartree–Fock approximation. However, it also has a reputation for being unwieldy, computationally costly, and un-black-box. Here, we discuss a class of alternatives, complete active space configuration interaction (CASCI) methods, paying particular attention to their application to electronic excited states. The goal of this Perspective is fourfold. First, we argue that CASCI is not merely an approximation to CASSCF, in that it can be designed to have important qualitative advantages over CASSCF. Second, we present several insights drawn from our experience experimenting with different schemes for computing orbitals to be employed in CASCI. Third, we argue that CASCI is well suited for application to nanomaterials. Lastly, we reason that, with the rise in new low-scaling approaches for describing multireference systems, there is a greater need than ever to develop new methods for defining orbitals that provide an efficient and accurate description of both static correlation and electronic excitations in a limited active space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

A numerical study of the effect of geometry variation, turbulence models, and dissipation on the flow past control surfaces

The steady 3D viscous flow past the ONERA M6 wing and a slender delta wing-body with trailing edge control surfaces has been computed. A cell-centered finite-volume Navier-Stokes patched zonal method has been used for the numerical simulation. Both diagonalized and LUSGS schemes have been implemented. Besides the standard nonplanar zonal interfacing techniques, a new virtual zone capability has been employed. For code validation, the transonic flow past the ONERA M5 wing is calculated for angles-of-attack of 3.06 deg and 5.06 deg and compared with the available experiments. The wing-body computational results are compared with experimental data for both trailing-edge flaps deflected. The experimental flow conditions are M subinfinity = 0.4, a turbulent Reynolds number of 5.41 million based on a mean aerodynamic chord of 25.959 inches, adiabatic wall, and angles-of-attack varying from 0 deg to 23.85 deg. The computational results are presented for the 23.85 deg angle-of-attack case. The effects of the base flow due to a model sting, the varying second and fourth order numerical dissipation, and the turbulence model are all considered.

Chaussee, Denny S.↗
DOE OSTI2020

Computational techniques for the analysis of small signals in high-statistics neutrino oscillation experiments

The current and upcoming generation of Very Large Volume Neutrino Telescopes – collecting unprecedented quantities of neutrino events – can be used to explore subtle effects in oscillation physics, such as (but not restricted to) the neutrino mass ordering. The sensitivity of an experiment to these effects can be estimated from Monte Carlo simulations. With the high number of events that will be collected, there is a trade-off between the computational expense of running such simulations and the inherent statistical uncertainty in the determined values. In such a scenario, it becomes impractical to produce and use adequately-sized sets of simulated events with traditional methods, such as Monte Carlo weighting. In this work we present a staged approach to the generation of expected distributions of observables in order to overcome these challenges. By combining multiple integration and smoothing techniques which address limited statistics from simulation it arrives at reliable analysis results using modest computational resources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Advanced Modeling and Simulation Methods for Evaluation of Thermal Neutron Scattering Materials

With the rise of interest in thermal neutron scattering data for advanced reactor, criticality safety, and shielding applications, new experimental data are required for evaluation of new materials or for re-evaluation (or validations) of previously evaluated materials. New experimental data are evaluated in a three-step process: (1) computing the phonon characteristics, (2) computing the dynamic structure factor (DSF) from the data, and (3) using the experimental setup to simulate the experimental data. All three steps have challenges, ranging from the need for a sufficiently general material simulation code—a processing code that can compute the corresponding DSF—to having a detailed layout of the instrument/beamline/facility where the data were measured. Whereas phonon characteristics of materials can be computed using various methods (molecular dynamics, density functional theory, etc.), a high-fidelity computation of the DSF and the simulation of the experiment based on the DSF is vital to the accuracy of the evaluation. The latter two steps can be achieved by using the two corresponding code systems developed by instrument scientists at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory: (1) OCLIMAX, a program that calculates the dynamic structure factor from DFT and MD simulation results, and (2) MCViNE, a Monte Carlo neutron ray-tracing program designed to simulate neutron scattering experiments. Recently, polyethylene and yttrium hydride were measured at the Wide Angular-Range Chopper (ARCS) and SEQUOIA instrument stations of the SNS. These experiments are simulated using the density functional theory code, the Cambridge Serial Total Energy Package (CASTEP), to compute its phonon characteristics (eigenvalues/vectors and PDOS), which is then processed using OCLIMAX to yield the DSF, and finally the data at each instrument station are simulated by the MCViNE for comparison to the measured data for evaluation. For comparison to conventional evaluation methods, the scattering data processed from OCLIMAX are compared against those processed from the LEAPR module of NJOY, and the results from MCViNE simulations are compared against previously used simplified beamline models implemented in the Monte Carlo N-Particle (MCNP) code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A Lagrangian dual method for two-stage robust optimization with binary uncertainties

This report presents a new exact method to calculate worst-case parameter realizations in two-stage robust optimization problems with categorical or binary-valued uncertain data. Traditional exact algorithms for these problems, notably Benders decomposition and column-and-constraint generation, compute worst-case parameter realizations by solving mixed-integer bilinear optimization subproblems. However, their numerical solution can be computationally expensive not only due to their resulting large size after reformulating the bilinear terms, but also because decision-independent bounds on their variables are typically unknown. We propose an alternative Lagrangian dual method that circumvents these difficulties and is readily integrated in either algorithm. We specialize the method to problems where the binary parameters switch on or off constraints as these are commonly encountered in applications, and discuss extensions to problems that lack relatively complete recourse and to those with integer recourse. Numerical experiments provide evidence of significant computational improvements over existing methods.

42 ENGINEERING↗
DOE OSTI2024

Application of performance portability solutions for GPUs and many-core CPUs to track reconstruction kernels

Next generation High-Energy Physics (HEP) experiments are presented with significant computational challenges, both in terms of data volume and processing power. Using compute accelerators, such as GPUs, is one of the promising ways to provide the necessary computational power to meet the challenge. The current programming models for compute accelerators often involve using architecture-specific programming languages promoted by the hardware vendors and hence limit the set of platforms that the code can run on. Developing software with platform restrictions is especially unfeasible for HEP communities as it takes significant effort to convert typical HEP algorithms into ones that are efficient for compute accelerators. Multiple performance portability solutions have recently emerged and provide an alternative path for using compute accelerators, which allow the code to be executed on hardware from different vendors. We apply several portability solutions, such as Kokkos, SYCL, C++17 std::execution::par and Alpaka, on two mini-apps extracted from the mkFit project: p2z and p2r. These apps include basic kernels for a Kalman filter track fit, such as propagation and update of track parameters, for detectors at a fixed z or fixed r position, respectively. The two mini-apps explore different memory layout formats. We report on the development experience with different portability solutions, as well as their performance on GPUs and many-core CPUs, measured as the throughput of the kernels from different GPU and CPU vendors such as NVIDIA, AMD and Intel.

Kwok, Ka Martin↗
DOE OSTI2024

Application of performance portability solutions for GPUs and many-core CPUs to track reconstruction kernels

Next generation High-Energy Physics (HEP) experiments are presented with significant computational challenges, both in terms of data volume and processing power. Using compute accelerators, such as GPUs, is one of the promising ways to provide the necessary computational power to meet the challenge. The current programming models for compute accelerators often involve using architecture-specific programming languages promoted by the hardware vendors and hence limit the set of platforms that the code can run on. Developing software with platform restrictions is especially unfeasible for HEP communities as it takes significant effort to convert typical HEP algorithms into ones that are efficient for compute accelerators. Multiple performance portability solutions have recently emerged and provide an alternative path for using compute accelerators, which allow the code to be executed on hardware from different vendors. We apply several portability solutions, such as Kokkos, SYCL, C++17 std::execution::par, Alpaka, and OpenMP/OpenACC, on two mini-apps extracted from the mkFit project: p2z and p2r. These apps include basic kernels for a Kalman filter track fit, such as propagation and update of track parameters, for detectors at a fixed z or fixed r position, respectively. The two mini-apps explore different memory layout formats. We report on the development experience with different portability solutions, as well as their performance on GPUs and many-core CPUs, measured as the throughput of the kernels from different GPU and CPU vendors such as NVIDIA, AMD and Intel.

Kwok, Ka Hei Martin↗