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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Structure and ultrafast dynamics of tri-nuclear Ag-/Tl–Pt 2 POP 4 complexes in solution

The energetics and dynamics of ion assembly in solution has broad influence in nanomaterials and inorganic synthesis. To investigate the fundamental processes involved, we present a time-resolved x-ray solution scattering (TR-XSS) study of the trinuclear silver and thallium complexes of the diplatinum ion PtPOP [Pt 2 (H 2 P 2 O 5 )$_4^{4−}$] in aqueous solution. These complexes, their structural properties, and their electronic structure are not well understood and afford a unique opportunity to study the metal–metal bond formation that influences molecular and material assembly in solution. We present model-independent analysis of the observed dynamics as well as an analysis incorporating time-resolved structural refinements of key bond lengths with $<$100 fs time resolution. We find that upon photoexcitation, the Pt atoms contract ∼0.25 Å toward the center of both the Ag- and the Tl-PtPOP complexes, as previously observed for the PtPOP anion. For the AgPtPOP system, an ultrafast Ag-Pt bond expansion of ∼0.2 Å is observed, whereas in contrast, the TlPtPOP system exhibits a Tl-Pt bond contraction of ∼0.3 Å upon photoexcitation. For both complexes, the change in electronic state leads to coherent (“wave-packet”) oscillations along the metal–Pt coordinates. Based on these structural dynamics, we propose an electronic structure model that describes the metal–metal bonding behavior in both the ground and excited state for both complexes.

Lenzen, Philipp [Technical Univ. of Denmark, Lyngb↗
NASA NTRS1987

Acceleration display system for aircraft zero-gravity research

The features, design, calibration, and testing of Lewis Research Center's acceleration display system for aircraft zero-gravity research are described. Specific circuit schematics and system specifications are included as well as representative data traces from flown trajectories. Other observations learned from developing and using this system are mentioned where appropriate. The system, now a permanent part of the Lewis Learjet zero-gravity program, provides legible, concise, and necessary guidance information enabling pilots to routinely fly accurate zero-gravity trajectories. Regular use of this system resulted in improvements of the Learjet zero-gravity flight techniques, including a technique to minimize later accelerations. Lewis Gates Learjet trajectory data show that accelerations can be reliably sustained within 0.01 g for 5 consecutive seconds, within 0.02 g for 7 consecutive seconds, and within 0.04 g for up to 20 second. Lewis followed the past practices of acceleration measurement, yet focussed on the acceleration displays. Refinements based on flight experience included evolving the ranges, resolutions, and frequency responses to fit the pilot and the Learjet responses.

Millis, Marc G.↗
NASA NTRS1988

Third-order multi-dimensional Euler/Navier-Stokes solver

A nonoscillatory multidimensional advection code is presented which is applicable to the study of very high Reynolds number steady flow, and results are obtained for the oblique advection of a step profile. The scheme is based on an exponential upwinding or linear extrapolation refinement of a previous QUICK scheme, allowing sharp monotonic resolution of the step while retaining third-order accuracy. The resulting simple flux-limiting criteria have been applied to a higher order method and a formally third-order supercompressive algorithm. Results are presented for first-order, second-order, and third-order upwinding.

Leonard, B. P.↗
NASA NTRS1989

The reduction correction in North America

An inverse Poisson integral technique was used to determine a gravity field on the geoid which, when continued by analytic free space methods to the topographic surface, agrees with the observed field. The computation is performed in three stages, each stage refining the previous solution using data at progressively increasing resolution (1 x 1 deg, 5 x 5', 5/8 x 5/8') from a decreasing area of integration. Reduction corrections are computed at 5/8 x 5/8' granularity by differencing the geoidal and surface values, smoothed by low-pass filtering and sub-sampled at 5' intervals. The 1 x 1 deg averages of the reduction corrections thus obtained for 172 1 x 1 deg squares in western North America are discussed. The 1 x 1 deg mean reduction corrections are predominantly positive, varying from -3 to +15 mgal, with values in excess of 5 mgal for 26 squares. Their mean and rms values are +2.4 and 3.6 mgal respectively and they correlate well with the mean terrain corrections. The mean and rms contributions from the three stages of computation are: 1 x 1 deg stage +0.15 and 0.7 mgal; 5 x 5' stage + 1.0 and 1.6 mgal; and 5/8 x 5/8' stage +1.3 and 1.8 mgal. These results reflect a tendency for the contributions to become larger and more systematically positive as the wavelengths involved become shorter. The results are discussed in terms of two mechanisms; the first is a tendency for the absolute values of both positive and negative anomalies to become larger when continued downwards and, the second, a non-linear rectification, due to the correlation between gravity anomaly and topographic height, which results in the values continued to a level surface being systematically more positive than those on the topography.

Martzen, P. D.↗
NASA NTRS1993

Navier-Stokes computations and experimental comparisons for multielement airfoil configurations

A two-dimensional unstructured Navier-Stokes code is utilized for computing the flow around multielement configurations. Comparisons are shown for a landing configuration with an advanced-technology flap as well as for a takeoff configuration. For each, a grid convergence study is conducted to assess inaccuracies caused by inadequate grid resolution. Although adequate resolution is obtained for determining the pressure distributions, further refinement is needed to sufficiently resolve the velocity profiles at high angles of attack. For the advanced flap configuration, comparisons of pressure distributions and lift are made with experimental data. Here, two flap riggings and two Reynolds numbers are considered. In general, the trends caused by variations in these quantities are well predicted by the computations, although the angle of attack for maximum lift is overpredicted. For the takeoff configuration, comparisons between pressures, velocity profiles, and Reynolds stresses are made at a single angle of attack with generally good agreement.

Anderson, W. K.↗
NASA NTRS2003

The Land Use and Land Cover Dichotomy: A Comparison of Two Land Classification Systems in Support of Urban Earth Science Applications

One is likely to read the terms 'land use' and 'land cover' in the same sentence, yet these concepts have different origins and different applications. Land cover is typically analyzed by earth scientists working with remotely sensed images. Land use is typically studied by urban planners who must prescribe solutions that could prevent future problems. This apparent dichotomy has led to different classification systems for land-based data. The works of earth scientists and urban planning practitioners are beginning to come together in the field of spatial analysis and in their common use of new spatial analysis technology. In this context, the technology can stimulate a common 'language' that allows a broader sharing of ideas. The increasing amount of land use and land cover change challenges the various efforts to classify in ways that are efficient, effective, and agreeable to all groups of users. If land cover and land uses can be identified by remote methods using aerial photography and satellites, then these ways are more efficient than field surveys of the same area. New technology, such as high-resolution satellite sensors, and new methods, such as more refined algorithms for image interpretation, are providing refined data to better identify the actual cover and apparent use of land, thus effectiveness is improved. However, the closer together and the more vertical the land uses are, the more difficult the task of identification is, and the greater is the need to supplement remotely sensed data with field study (in situ). Thus, a number of land classification methods were developed in order to organize the greatly expanding volume of data on land characteristics in ways useful to different groups. This paper distinguishes two land based classification systems, one developed primarily for remotely sensed data, and the other, a more comprehensive system requiring in situ collection methods. The intent is to look at how the two systems developed and how they can work together so that land based information can be shared among different users and compared over time.

McAllister, William K.↗
NASA NTRS1993

Navier-Stokes Computations and Experimental Comparisons for Multielement Airfoil Configurations

A two-dimensional unstructured Navier-Stokes code is utilized for computing the flow around multielement airfoil configurations. Comparisons are shown for a landing configuration with an advanced-technology flap. Grid convergence studies are conducted to assess inaccuracies caused by inadequate grid resolution. Although adequate resolution is obtained for determining the pressure distributions, further refinement is needed to sufficiently resolve the velocity profiles at high angles of attack. For the advanced flap configuration, comparisons of pressure distributions and lift are made with experimental data. Here, two flap riggings and two Reynolds numbers are considered. In general, the trends caused by variations in these quantities are well predicted by the computations, although the angle of attack for maximum lift is overpredicted.

Anderson, W. Kyle↗
NASA NTRS2010

CME Initiation and Reconnection

Coronal mass ejections (CMEs) are the most massive explosions in the heliosphere, and the primary drivers of geoeffective space weather. This talk will be focused on fast CMEs, which travel at Alfvenic speeds as high as 2500 km/s. These ejections are associated with solar flares, prominence eruptions, and energetic particles accelerated near the Sun and in interplanetary space. CMEs require sufficient energy storage, in the form of magnetic stress, and rapid release of this energy. Although it is generally agreed that magnetic reconnection is the key to fast CME initiation, different models incorporate reconnection in different ways. One promising model --- the breakout scenario --- involves reconnection in two distinct yet interconnected locations: breakout reconnection ahead of the CME, and flare reconnect ion behind it. This model has been validated through 2D and 3D MHD simulations and favorable comparison with the observed properties of many fast CMEs. I will discuss what we have learned about the onset and evolution of breakout and flare reconnect ion from recent high-resolution 2D simulations of CME initiation with adaptive mesh refinement and numerical resistivity.

Karpen, Judy T.↗
NASA NTRSDate not supplied

OVERFLOW Analysis of Supersonic Retropropulsion Testing on a Blunt Mars Entry Vehicle Concept

Supersonic Retropropulsion (SRP) flow over a Hypersonic Inflatable Aerodynamic Decelerator (HIAD) blunt-body vehicle was simulated using the OVERFLOW Computational Fluid Dynamics (CFD) solver. Two nozzle configurations were tested (1E and 1F) as a subset of the seven total configurations in the Descent Systems Study (DSS) testing campaign. A generalized, Adaptive Mesh Refinement (AMR) shock capturing and plume refinement technique was developed and calibrated for producing automatic and optimized grid systems unique to any given testing condition. Simulations were subjected to successive levels of grid refinement in order to determine solution independence from grid resolution. OVERFLOW Reynolds Averaged Navier-Stokes (RANS) solutions produced realistic SRP flow phenomena, including Mach disk normal shocks contained in high-thrust plumes and bow shock triple-points. Solutions for the 1E nozzle configuration were steady. Conversely, a subset of the 1F test conditions were unsteady and exhibited periodic, non-sinsoidal expansions and contractions of the streamwise-oriented plume, resulting in unsteady aerodynamic loads on the vehicle.

Supersonic Retropropulsion↗
NASA NTRSDate not supplied

Enabling Metric-Based Mesh Adaptation for Advanced Compressible Flow Simulations Using US3D

This work presents a metric-based mesh adaptation capability added to the flow solver US3D that is used to improve the accuracy of atmospheric entry simulations. Flow past an entry vehicle in free-flight is usually unsteady and characterized by anisotropic flow features like a strong bow shock and small-scale isotropic flow features like turbulent eddies in the wake. The results presented in this paper demonstrate that we are currently able to iteratively apply metric-based mesh adaptation to improve the solution accuracy by simultaneously targeting isotropic and anisotropic flow features. A simplified workflow of running CFD simulations for entry vehicles is presented where we start off with a coarse initial mesh to compute a first approximation of the flow. This coarse mesh is then iteratively refined using the newly developed metric to improve the resolution of the CFD computation. Furthermore, we demonstrate that we are able to adapt large mesh sizes in a timely fashion which allows us to start thinking about applying this adaptive framework to unsteady atmospheric entry CFD simulations.

Mesh adaptation↗
NASA NTRS1990

Performance optimization for hard X-ray/soft gamma-ray detectors

This paper discusses the optimization of the performance of imaging scintillation detectors used in the hard X-ray/soft gamma-ray (20-300) keV region of the spectrum. In these devices, absorption of an incident gamma-ray within an alkali halide crystal induces a scintillation light distribution which is centroided by an imaging photomultiplier tube mounted to the crystal. The ultimate imaging resolution is strongly affected by the detailed propagation of the scintillation light within the crystal and at the interface between the crystal and the phototube face plate. A number of refined techniques for preparing the scintillation crystals so as to optimize the imaging resolution have been investigated. The results indicate very good agreement with relatively simple models of the light propagation. It is shown that it is possible to achieve resolution consistent with the most optimistic models.

Harrison, Fiona A.↗
DOE OSTI2025

High-Resolution Simulations of Geological CO 2 Injection: Application to the SPE11 Benchmark

Geological carbon sequestration (GCS) will play a critical role in decarbonization and in facilitating the transition to clean energy systems. Because CO 2 is highly mobile, ensuring its safe and permanent injection into subsurface geological formations involves monitoring over larger spatial domains and longer time periods than is typical for hydrocarbon reservoirs. This can benefit from simulation tools capable of modeling key CO 2 trapping mechanisms, particularly those optimized for speed and scalability on high-performance computing systems. Using isothermal versions of the SPE11B and SPE11C benchmark cases, we conduct a mesh refinement study simulating CO 2 injection into kilometer-scale rock formations at centimeter resolution with the GEOS open-source simulation framework. We focus on how mesh refinement improves the accuracy of convective mixing in both 2D and 3D simulations. The computational costs associated with achieving a converged solution highlight the need for predictive upscaling techniques. A systematic performance scaling analysis—including both central processing unit (CPU) and graphics processing unit (GPU) architectures—complements the “Results” section.

Geosciences↗
NASA NTRSDate not supplied

Grid Refinement Techniques for the 𝜸-Re𝜽𝒕 Transition Model in FUN3D

There has been an increased focus on the overall accuracy and grid convergence of Reynolds-averaged Navier-Stokes (RANS)-based transition models from the recent AIAA and NATO-AVT workshops. Even though satisfactory grid convergence could be achieved for simple two-dimensional flow configurations, it required mesh counts that are substantially larger than those used in typical applications. In this paper, we focus our efforts on understanding how the grid resolution and topology influences the accuracy and convergence of results by studying the Schubauer and Skramstad flat-plate configuration and the NLF-0416 airfoil at an angle of attack equal to five degrees using FUN3D, a second-order finite-volume code. By focusing on these cases, we can analyze both natural and separation-induced transition scenarios. Multiple grid refinement strategies are investigated. First, we determine the relative effectiveness of zonal streamwise refinement in the transition region within structured grids as an alternative to the costly option of globally uniform refinement of a baseline grid. We also complement this zonal technique by globally varying the wall-normal resolution keeping the streamwise resolution fixed. The zonal streamwise refinement can accurately model natural transition in a flat-plate boundary layer and separation-induced transition, but struggles to accurately model natural transition in airfoil flows. A series of unstructured prismatic grids that have similar node counts and viscous wall spacings as the structured hexahedral grids are also tested, and they do not achieve grid convergence until an extremely fine resolution. Last, we employ adjoint-based unstructured grid adaptation in FUN3D to natural and separation-induced transition on the NLF-0416 airfoil. The adjoint-based refinement process converges to the same solution as the baseline family of structured grids, but leads to smaller errors on coarser grids.

Grid Adaptation↗
NASA NTRSDate not supplied

Grid Refinement Techniques for the 𝜸-Re 𝜽 𝒕 Transition Model in FUN3D

There has been an increased focus on the overall accuracy and grid convergence of Reynolds-averaged Navier-Stokes (RANS)-based transition models from the recent AIAA and NATO-AVT workshops. Even though satisfactory grid convergence could be achieved for simple two-dimensional flow configurations, it required mesh counts that are substantially larger than those used in typical applications. In this paper, we focus our efforts on understanding how the grid resolution and topology influences the accuracy and convergence of results by studying the Schubauer and Skramstad flat-plate configuration and the NLF-0416 airfoil at an angle of attack equal to five degrees using FUN3D, a second-order finite-volume code. By focusing on these cases, we can analyze both natural and separation-induced transition scenarios. Multiple grid refinement strategies are investigated. First, we determine the relative effectiveness of zonal streamwise refinement in the transition region within structured grids as an alternative to the costly option of globally uniform refinement of a baseline grid. We also complement this zonal technique by globally varying the wall-normal resolution keeping the streamwise resolution fixed. The zonal streamwise refinement can accurately model natural transition in a flat-plate boundary layer and separation-induced transition, but struggles to accurately model natural transition in airfoil flows. A series of unstructured prismatic grids that have similar node counts and viscous wall spacings as the structured hexahedral grids are also tested, and they do not achieve grid convergence until an extremely fine resolution. Last, we employ adjoint-based unstructured grid adaptation in FUN3D to natural and separation-induced transition on the NLF-0416 airfoil. The adjoint-based refinement process converges to the same solution as the baseline family of structured grids, but leads to smaller errors on coarser grids.

Grid Adaptation↗
DOE OSTI2025

Implementation of a Mesh refinement algorithm into the quasi-static PIC code QuickPIC

Plasma-based acceleration (PBA) has emerged as a promising candidate for the accelerator technology used to build a future linear collider and/or an advanced light source. In PBA, a trailing or witness particle beam is accelerated in the plasma wave wakefield (WF) created by a laser or particle beam driver. The WF is often nonlinear and involves the crossing of plasma particle trajectories in real space and thus particle-in-cell methods are used. The distance over which the drive beam evolves is several orders of magnitude larger than the wake wavelength. This large disparity in length scales is amenable to the quasi-static approach. Three-dimensional (3D), quasi-static (QS), particle-in-cell (PIC) codes, e.g., QuickPIC, have been shown to provide high fidelity simulation capability with 2-4 orders of magnitude speedup over 3D fully explicit PIC codes. In PBA, the witness beam needs to be matched to the focusing forces of the WF to reduce the emittance growth. In some linear collider designs, the matched spot size of the witness beam can be 2 to 3 orders of magnitude smaller than the spot size (and wavelength) of the wakefield. Such an additional disparity in length scales is ideal for mesh refinement where the WF within the witness beam is described on a finer mesh than the rest of the WF. A mesh refinement scheme is described that has been implemented into the 3D QS PIC code, QuickPIC. Very fine (high) resolution is used in a small spatial region that includes the witness beam and progressively coarser resolutions in the rest of the simulation domain. A fast multigrid Poisson solver has been implemented for the field solve on the refined meshes and a Fast Fourier Transform (FFT) based Poisson solver is used for the coarse mesh. The code has been parallelized with both MPI and OpenMP, and the parallel scalability has also been improved by using pipelining. A preliminary adaptive mesh refinement technique is described to optimize the computational time for simulations with an evolving witness beam size. Several test problems are used to verify that the mesh refinement algorithm provides accurate results. Additionally, the results are benchmarked against highly resolved simulations exhibiting near-azimuthal symmetry, performed using QPAD—a novel hybrid QS PIC code that uses a PIC description in the coordinates (r, ct – z) and a gridless description in the azimuthal angle, Φ.

Linear collider↗
DOE OSTI2025

OpenSn: A massively parallel, open-source simulation environment for discrete ordinates radiation transport

OpenSn is an open-source, massively parallel deterministic radiation transport code for solving the discrete-ordinates ( S N ) form of the Boltzmann transport equation on unstructured, arbitrary polyhedral meshes. It supports high-fidelity simulations involving steady-state, eigenvalue, and adjoint problems for neutral particles (e.g., neutrons, photons, multi-particles), using the multigroup approximation in energy. OpenSn combines angular discretization via discrete ordinates with a discontinuous Galerkin finite element method (DGFEM) in space, enabling accurate resolution of transport physics on arbitrary polyhedral cells, included locally refined spatial grids. It includes multiple angular quadrature types, including locally refined angular quadratures. Written in modern C++ with a Python API, OpenSn runs efficiently on platforms ranging from laptops to supercomputers. The transport sweep algorithm is implemented using a task-based, directed-acyclic-graph (DAG) approach for each angle and supports asynchronous parallelism across thousands of MPI ranks. Group-set aggregation improves compute intensity, and synthetic acceleration techniques (e.g., diffusion synthetic acceleration, second-moment method) enhance solver convergence. OpenSn has been verified on reactor physics problems and demonstrated excellent weak and strong scaling performance on more than 32,768 processes, making it a versatile and robust platform for large-scale transport simulations in complex geometries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

RMCProfile7 : reverse Monte Carlo for multiphase systems

This work introduces a completely rewritten version of the programRMCProfile(version 7), big-box, reverse Monte Carlo modelling software for analysis of total scattering data. The major new feature ofRMCProfile7is the ability to refine multiple phases simultaneously, which is relevant for many current research areas such as energy materials, catalysis and engineering. Other new features include improved support for molecular potentials and rigid-body refinements, as well as multiple different data sets. An empirical resolution correction and calculation of the pair distribution function as a back-Fourier transform are now also available.RMCProfile7is freely available for download at https://rmcprofile.ornl.gov/.

Chemistry↗