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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Comparison of High-Order and Low-Order Methods for Large-Eddy Simulation of a Compressible Shear Layer

The objective of this work is to compare a high-order solver with a low-order solver for performing Large-Eddy Simulations (LES) of a compressible mixing layer. The high-order method is the Wave-Resolving LES (WRLES) solver employing a Dispersion Relation Preserving (DRP) scheme. The low-order solver is the Wind-US code, which employs the second-order Roe Physical scheme. Both solvers are used to perform LES of the turbulent mixing between two supersonic streams at a convective Mach number of 0.46. The high-order and low-order methods are evaluated at two different levels of grid resolution. For a fine grid resolution, the low-order method produces a very similar solution to the highorder method. At this fine resolution the effects of numerical scheme, subgrid scale modeling, and filtering were found to be negligible. Both methods predict turbulent stresses that are in reasonable agreement with experimental data. However, when the grid resolution is coarsened, the difference between the two solvers becomes apparent. The low-order method deviates from experimental results when the resolution is no longer adequate. The high-order DRP solution shows minimal grid dependence. The effects of subgrid scale modeling and spatial filtering were found to be negligible at both resolutions. For the high-order solver on the fine mesh, a parametric study of the spanwise width was conducted to determine its effect on solution accuracy. An insufficient spanwise width was found to impose an artificial spanwise mode and limit the resolved spanwise modes. We estimate that the spanwise depth needs to be 2.5 times larger than the largest coherent structures to capture the largest spanwise mode and accurately predict turbulent mixing.

large eddy simulations↗
NASA NTRS2015

Comparison of High-Order and Low-Order Methods for Large-Eddy Simulation of a Compressible Shear Layer

The objective of this work is to compare a high-order solver with a low-order solver for performing large-eddy simulations (LES) of a compressible mixing layer. The high-order method is the Wave-Resolving LES (WRLES) solver employing a Dispersion Relation Preserving (DRP) scheme. The low-order solver is the Wind-US code, which employs the second-order Roe Physical scheme. Both solvers are used to perform LES of the turbulent mixing between two supersonic streams at a convective Mach number of 0.46. The high-order and low-order methods are evaluated at two different levels of grid resolution. For a fine grid resolution, the low-order method produces a very similar solution to the high-order method. At this fine resolution the effects of numerical scheme, subgrid scale modeling, and filtering were found to be negligible. Both methods predict turbulent stresses that are in reasonable agreement with experimental data. However, when the grid resolution is coarsened, the difference between the two solvers becomes apparent. The low-order method deviates from experimental results when the resolution is no longer adequate. The high-order DRP solution shows minimal grid dependence. The effects of subgrid scale modeling and spatial filtering were found to be negligible at both resolutions. For the high-order solver on the fine mesh, a parametric study of the spanwise width was conducted to determine its effect on solution accuracy. An insufficient spanwise width was found to impose an artificial spanwise mode and limit the resolved spanwise modes. We estimate that the spanwise depth needs to be 2.5 times larger than the largest coherent structures to capture the largest spanwise mode and accurately predict turbulent mixing.

large eddy simulations↗
DOE OSTI2015

Radiograph and passive data analysis using mixed variable optimization

Disclosed herein are representative embodiments of methods, apparatus, and systems for performing radiography analysis. For example, certain embodiments perform radiographic analysis using mixed variable computation techniques. One exemplary system comprises a radiation source, a two-dimensional detector for detecting radiation transmitted through a object between the radiation source and detector, and a computer. In this embodiment, the computer is configured to input the radiographic image data from the two-dimensional detector and to determine one or more materials that form the object by using an iterative analysis technique that selects the one or more materials from hierarchically arranged solution spaces of discrete material possibilities and selects the layer interfaces from the optimization of the continuous interface data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Vacuum freezing nucleated liquid water for purifying brackish water

A method of purifying brackish water includes mixing brackish water with a nucleating agent, forming nucleated liquid water and distributing droplets of the nucleated liquid water inside a vacuum chamber, vacuum freezing the droplets of the nucleated liquid water in the vacuum chamber. The method further includes the droplets forming pure water vapor, nucleated ice, and remaining brackish water, mixing and liquifying the pure water vapor and the nucleated ice, forming a mixture of purified liquid water and the nucleating agent. The method further includes separating the mixture of purified liquid water and the nucleating agent, forming purified liquid water and the nucleating agent.

Cao, Fangyu↗
DOE OSTI2015

A simple, stable, and accurate linear tetrahedral finite element for transient, nearly, and fully incompressible solid dynamics: A dynamic variational multiscale approach [A simple, stable, and accurate tetrahedral finite element for transient, nearly incompressible, linear and nonlinear elasticity: A dynamic variational multiscale approach]

Here, we propose a new approach for the stabilization of linear tetrahedral finite elements in the case of nearly incompressible transient solid dynamics computations. Our method is based on a mixed formulation, in which the momentum equation is complemented by a rate equation for the evolution of the pressure field, approximated with piece-wise linear, continuous finite element functions. The pressure equation is stabilized to prevent spurious pressure oscillations in computations. Incidentally, it is also shown that many stabilized methods previously developed for the static case do not generalize easily to transient dynamics. Extensive tests in the context of linear and nonlinear elasticity are used to corroborate the claim that the proposed method is robust, stable, and accurate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Combining Sparse Approximate Factorizations with Mixed-precision Iterative Refinement

The standard LU factorization-based solution process for linear systems can be enhanced in speed or accuracy by employing mixed-precision iterative refinement. Most recent work has focused on dense systems. We investigate the potential of mixed-precision iterative refinement to enhance methods for sparse systems based on approximate sparse factorizations. In doing so, we first develop a new error analysis for LU- and GMRES-based iterative refinement under a general model of LU factorization that accounts for the approximation methods typically used by modern sparse solvers, such as low-rank approximations or relaxed pivoting strategies. We then provide a detailed performance analysis of both the execution time and memory consumption of different algorithms, based on a selected set of iterative refinement variants and approximate sparse factorizations. Our performance study uses the multifrontal solver MUMPS, which can exploit block low-rank factorization and static pivoting. We evaluate the performance of the algorithms on large, sparse problems coming from a variety of real-life and industrial applications showing that mixed-precision iterative refinement combined with approximate sparse factorization can lead to considerable reductions of both the time and memory consumption.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A higher-order finite element reactive transport model for unstructured and fractured grids

Abstract This work presents a new reactive transport framework that combines a powerful geochemistry engine with advanced numerical methods for flow and transport in subsurface fractured porous media. Specifically, the PhreeqcRM interface (developed by the USGS) is used to take advantage of a large library of equilibrium and kinetic aqueous and fluid-rock reactions, which has been validated by numerous experiments and benchmark studies. Fluid flow is modeled by the Mixed Hybrid Finite Element (FE) method, which provides smooth velocity fields even in highly heterogenous formations with discrete fractures. A multilinear Discontinuous Galerkin FE method is used to solve the multicomponent transport problem. This method is locally mass conserving and its second order convergence significantly reduces numerical dispersion. In terms of thermodynamics, the aqueous phase is considered as a compressible fluid and its properties are derived from a Cubic Plus Association (CPA) equation of state. The new simulator is validated against several benchmark problems (involving, e.g., Fickian and Nernst-Planck diffusion, isotope fractionation, advection-dispersion transport, and rock-fluid reactions) before demonstrating the expanded capabilities offered by the underlying FE foundation, such as high computational efficiency, parallelizability, low numerical dispersion, unstructured 3D gridding, and discrete fraction modeling.

58 GEOSCIENCES↗
DOE OSTI2016

Efficient implicit LES method for the simulation of turbulent cavitating flows

We present a numerical method for efficient large-eddy simulation of compressible liquid flows with cavitation based on an implicit subgrid-scale model. Phase change and subgrid-scale interface structures are modeled by a homogeneous mixture model that assumes local thermodynamic equilibrium. Unlike previous approaches, emphasis is placed on operating on a small stencil (at most four cells). The truncation error of the discretization is designed to function as a physically consistent subgrid-scale model for turbulence. We formulate a sensor functional that detects shock waves or pseudo-phase boundaries within the homogeneous mixture model for localizing numerical dissipation. In smooth regions of the flow field, a formally non-dissipative central discretization scheme is used in combination with a regularization term to model the effect of unresolved subgrid scales. The new method is validated by computing standard single- and two-phase test-cases. Comparison of results for a turbulent cavitating mixing layer obtained with the new method demonstrates its suitability for the target applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Mixed-State Entanglement from Local Randomized Measurements

In this work, we propose a method for detecting bipartite entanglement in a many-body mixed state based on estimating moments of the partially transposed density matrix. The estimates are obtained by performing local random measurements on the state, followed by postprocessing using the classical shadows framework. Our method can be applied to any quantum system with single-qubit control. We provide a detailed analysis of the required number of experimental runs, and demonstrate the protocol using existing experimental data [Brydges et al., Science 364, 260 (2019)].

1-dimensional spin chains↗
NASA NTRS1977

Study of effects of injector geometry on fuel-air mixing and combustion

An implicit finite-difference method has been developed for computing the flow in the near field of a fuel injector as part of a broader study of the effects of fuel injector geometry on fuel-air mixing and combustion. Detailed numerical results have been obtained for cases of laminar and turbulent flow without base injection, corresponding to the supersonic base flow problem. These numerical results indicated that the method is stable and convergent, and that significant savings in computer time can be achieved, compared with explicit methods.

Bangert, L. H.↗
DOE OSTI2016

Electrochemical properties of Sn-based nanopowders synthesized by a pulsed wire evaporation method and effect of binder coating

Highlights: • Sn-based nanoparticles are fabricated by using the pulsed wire evaporation method. • The electrodes are prepared by mixing the graphene and coating the surface. • Coating the surface of electrode is used with brushing of simple and facile method. • The electrochemical measurements are performed with galvanostatic experiments. • The coating electrode maintains capacity nearly of 501 mAh g{sup −1} up to 100 cycles. - Abstract: Sn-based nanoparticles are prepared with the O{sub 2} concentrations in chamber of Ar atmosphere (by v/v) by using the pulsed wire evaporation (PWE) method. The prepared electrodes are only Sn-based powder electrode, its binder coating electrode and Sn-based powder/graphene nanocomposite electrode. Morphology and structure of the synthesized powders and electrodes are investigated with a field emission scanning electron microscope (FE-SEM) and an X-ray diffraction (XRD) analysis. The electrochemical measurements were performed with galvanostatic cycling experiments using a coin type cell of CR2032 (Ø20, T3.2 mm). The binder coating electrode is superior to others and maintains delithiation capacity nearly of 501 mAh g{sup −1} as 58.3% of first delithiation capacity at 0.2 C-rate up to 100 cycles.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Partition between supercooled liquid droplets and ice crystals in mixed-phase clouds based on airborne in situ observations

Abstract. The onset of ice nucleation in mixed-phase clouds determines the lifetime and microphysical properties of ice clouds. In this work, we develop a novel method that differentiates between various phases of mixed-phase clouds, such as clouds dominated by pure liquid or pure ice segments, compared with those having ice crystals surrounded by supercooled liquid water droplets or vice versa. Using this method, we examine the relationship between the macrophysical and microphysical properties of Southern Ocean mixed-phase clouds at −40 to 0 °C (e.g. stratiform and cumuliform clouds) based on the in situ aircraft-based observations during the US National Science Foundation Southern Ocean Clouds, Radiation, Aerosol Transport Experimental Study (SOCRATES) flight campaign. The results show that the exchange between supercooled liquid water and ice crystals from a macrophysical perspective, represented by the increasing spatial ratio of regions containing ice crystals relative to the total in-cloud region (defined as ice spatial ratio), is positively correlated with the phase exchange from a microphysical perspective, represented by the increasing ice water content (IWC), decreasing liquid water content (LWC), increasing ice mass fraction, and increasing ice particle number fraction (IPNF). The mass exchange between liquid and ice becomes more significant during phase 3 when pure ice cloud regions (ICRs) start to appear. Occurrence frequencies of cloud thermodynamic phases show a significant phase change from liquid to ice at a similar temperature (i.e. −17.5 °C) among three types of definitions of mixed-phase clouds based on ice spatial ratio, ice mass fraction, or IPNF. Aerosol indirect effects are quantified for different phases using number concentrations of aerosols greater than 100 or 500 nm (N>100 and N>500, respectively). N>500 shows stronger positive correlations with ice spatial ratios compared with N>100. This result indicates that larger aerosols potentially contain ice-nucleating particles (INPs), which facilitate the formation of ice crystals in mixed-phase clouds. The impact of N>500 is also more significant in phase 2 when ice crystals just start to appear in the mixed phase compared with phase 3 when pure ICRs have formed, possibly due to the competing aerosol indirect effects on primary and secondary ice production in phase 3. The thermodynamic and dynamic conditions are quantified for each phase. The results show stronger in-cloud turbulence and higher updraughts in phases 2 and 3 when liquid and ice coexist compared with pure liquid or ice (phases 1 and 4, respectively). The highest updraughts and turbulence are seen in phase 3 when supercooled liquid droplets are surrounded by ice crystals. These results indicate both updraughts and turbulence support the maintenance of supercooled liquid water amongst ice crystals. Overall, these results illustrate the varying effects of aerosols, thermodynamics, and dynamics through various stages of mixed-phase cloud evolution based on this new method that categorizes cloud phases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Spin-on deposition of amorphous zeolitic imidazolate framework films for lithography applications

Amorphous zeolitic imidazolate framework (aZIF) films have been recently introduced as resists for electron beam and extreme ultraviolet lithography. aZIFs are also being considered for separation applications, including thin film membranes. However, the reported methods for aZIF deposition are currently based on highly empirical trial-and-error approaches that hinder control of film composition, thickness and uniformity as well as scale-up and transferability to different coating geometries. This work presents a method for depositing aZIF films with controllable thickness using dilute precursors mixed immediately before encountering the substrate. Importantly, the method is amenable to quantitative analysis by computational fluid dynamics to extract intrinsic deposition rates and limiting reactant transport diffusivities, enabling predictive physics-based modeling of the deposition process. This allows the deposition method to be adapted for spin coating on silicon wafers to prepare high-quality aZIF films with consistently controlled thickness. Using this approach, high-resolution resist performance and wafer-scale use for beyond extreme-ultraviolet lithography of aZIF films is demonstrated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

RAXJET: A computer program for predicting transonic, axisymmetric flow over nozzle afterbodies with supersonic jet exhausts

A viscous-inviscid interaction method to calculate the subsonic and transonic flow over nozzle afterbodies with supersonic jet exhausts was developed. The method iteratively combines a relaxation solution of the full potential equation for the inviscid external flow, a shock capturing-shock fitting inviscid jet solution, an integral boundary layer solution, a control volume method for treating separated flows, and an overlaid mixing layer solution. A computer program called RAXJET which incorporates the method, illustrates the predictive capabilities of the method by comparison with experimental data is described, a user's guide to the computer program is provided. The method accurately predicts afterbody pressures, drag, and flow field properties for attached and separated flows for which no shock induced separation occurs.

Wilmoth, R. G.↗
DOE OSTI2014

Communication: State mixing by spin-orbit coupling in the anionic chloroiodine dissociations

Three spin-orbit states, 1{sup 2}Π{sub 1/2}, 2{sup 2}Π{sub 3/2}, and 2{sup 2}Π{sub 1/2}, of chloroiodine anion (ICl{sup −}) formed by low-energy electron attachment in the Franck-Condon region are associated with the dissociative limits of I{sup −} ({sup 1}S{sub 0}) and Cl ({sup 2}P{sub 3/2}) or Cl{sup *} ({sup 2}P{sub 1/2}) fragments. Within the adiabatic scheme, the presumptive Π-symmetry of the fragment angular distributions is dramatically changed to be the Π-Σ mixing symmetry, due to the significant spin-orbit interaction effect on the electronic state couplings of ICl{sup −}. The present experimental approach also enables us to separate the contributions of different electronic states from the mixed states, providing a crucial method for quantitatively evaluating the configuration-interaction wavefunctions.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2024

Summary and Annotated Bibliography of Measurement Error Corrections with Potential Application in Future Quesst Mission Community Noise Studies

This document is motivated by likely needs of the Quesst mission community response tests, which will culminate in data collection and estimation of dose-response regression relationships for consideration by domestic and international aviation regulators. Furthermore, basic research questions evaluating interactions between rates of community annoyance, dose levels, and indicators of the presence of rattle, vibration, and startle hinge on hypothesis testing in the context of regression models. For a variety of reasons, noise doses may be known only imprecisely and may not reflect the actual level experienced by responding subjects. These differences between true dose and estimated dose, be they systematic or random, constitute covariate measurement error. Available statistics literature speaks to the impacts of measurement error on regression models, both in terms of bias in estimated coefficients and predicted values, and in terms of the loss of statistical power for hypothesis testing. Given the particulars of a categorical annoyance response variable and a continuous noise dose predictor variable subject to measurement error during testing, the emphasis of this report is on findings and methods pertinent to generalized linear (and mixed) models likely to be employed during the Quesst mission community tests. We reach the following conclusions: 1. Of four reviewed methods, structural Bayesian measurement error models and simulation extrapolation (SIMEX) may be the most readily applicable to Quesst mission community noise study objectives. 2. If warranted, a linear measurement model can help model systematic sources of measurement error that the classical measurement error does not. 3. For its ready implementation and small additional input requirements, simulation extrapolation may be ideally suited for addressing secondary research questions involving interactions between annoyance, noise dose, and other factors through hypothesis testing. 4. For their flexibility and ability to propagate uncertainty, structural Bayesian hierarchical models have great appeal for mission purposes; some care may be needed in developing appropriate probability models describing actual noise exposure during testing. An annotated bibliography logs additional papers and resources that may be of value to analysts in other projects and disciplines.

Dose-Response Model↗
NASA NTRS1995

Completed Beltrami-Michell formulation for analyzing mixed boundary value problems in elasticity

In elasticity, the method of forces, wherein stress parameters are considered as the primary unknowns, is known as the Beltrami-Michell formulation (BMF). The existing BMF can only solve stress boundary value problems; it cannot handle the more prevalent displacement of mixed boundary value problems of elasticity. Therefore, this formulation, which has restricted application, could not become a true alternative to the Navier's displacement method, which can solve all three types of boundary value problems. The restrictions in the BMF have been alleviated by augmenting the classical formulation with a novel set of conditions identified as the boundary compatibility conditions. This new method, which completes the classical force formulation, has been termed the completed Beltrami-Michell formulation (CBMF). The CBMF can solve general elasticity problems with stress, displacement, and mixed boundary conditions in terms of stresses as the primary unknowns. The CBMF is derived from the stationary condition of the variational functional of the integrated force method. In the CBMF, stresses for kinematically stable structures can be obtained without any reference to the displacements either in the field or on the boundary. This paper presents the CBMF and its derivation from the variational functional of the integrated force method. Several examples are presented to demonstrate the applicability of the completed formulation for analyzing mixed boundary value problems under thermomechanical loads. Selected example problems include a cylindrical shell wherein membrane and bending responses are coupled, and a composite circular plate.

Patnaik, Surya N.↗