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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 631 records · Page 35

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NASA NTRS1987

Calculation of viscous effects on transonic flow for oscillating airfoils and comparisons with experiment

A method is described for calculating unsteady transonic flow with viscous interaction by coupling a steady integral boundary-layer code with an unsteady, transonic, inviscid small-disturbance computer code in a quasi-steady fashion. Explicit coupling of the equations together with viscous -inviscid iterations at each time step yield converged solutions with computer times about double those required to obtain inviscid solutions. The accuracy and range of applicability of the method are investigated by applying it to four AGARD standard airfoils. The first-harmonic components of both the unsteady pressure distributions and the lift and moment coefficients have been calculated. Comparisons with inviscid calcualtions and experimental data are presented. The results demonstrate that accurate solutions for transonic flows with viscous effects can be obtained for flows involving moderate-strength shock waves.

Howlett, James T.↗

NASA NTRS1990

A finite element solver for 3-D compressible viscous flows

Computation of the flow field inside a space shuttle main engine (SSME) requires the application of state of the art computational fluid dynamic (CFD) technology. Several computer codes are under development to solve 3-D flow through the hot gas manifold. Some algorithms were designed to solve the unsteady compressible Navier-Stokes equations, either by implicit or explicit factorization methods, using several hundred or thousands of time steps to reach a steady state solution. A new iterative algorithm is being developed for the solution of the implicit finite element equations without assembling global matrices. It is an efficient iteration scheme based on a modified nonlinear Gauss-Seidel iteration with symmetric sweeps. The algorithm is analyzed for a model equation and is shown to be unconditionally stable. Results from a series of test problems are presented. The finite element code was tested for couette flow, which is flow under a pressure gradient between two parallel plates in relative motion. Another problem that was solved is viscous laminar flow over a flat plate. The general 3-D finite element code was used to compute the flow in an axisymmetric turnaround duct at low Mach numbers.

Reddy, K. C.↗

NASA NTRS1992

On the stability and instantaneous velocity of grasped frictionless objects

A quantitative test for form closure valid for any number of contact points is formulated as a linear program, the optimal objective value of which provides a measure of how far a grasp is from losing form closure. Another contribution of the study is the formulation of a linear program whose solution yields the same information as the classical approach. The benefit of the formulation is that explicit testing of all possible combinations of contact interactions can be avoided by the algorithm used to solve the linear program.

Trinkle, Jeffrey C.↗

NASA NTRS1993

Two-integral distribution functions for axisymmetric galaxies

The new method presented for finding distribution functions, which depend only on the classical integrals of energy and angular momentum for stellar systems with known axisymmetric densities, is the analog for the axisymmetric case of Eddington's classical solution for the isotropic distribution function, depending only on energy, of a known spherical density. It is required that density be expressed as a function of the potential and of a radial coordinate. Our solution is also an integral which is derived directly from the density, and hence can be used with complicated densities. A numerical quadrature is generally required to evaluate this solution, but contour integrals can be computed accurately by numerical quadrature; this is preferable to an explicit evaluation if the latter is an infinite series, such as is obtained using Fricke's method. We give several examples, including some for which our distribution functions are new. Our method can be extended simply to the related problems of finding anisotropic distribution functions for spherical or disk systems.

Hunter, C.↗

NASA NTRS2000

Parallel CE/SE Computations via Domain Decomposition

This paper describes the parallelization strategy and achieved parallel efficiency of an explicit time-marching algorithm for solving conservation laws. The Space-Time Conservation Element and Solution Element (CE/SE) algorithm for solving the 2D and 3D Euler equations is parallelized with the aid of domain decomposition. The parallel efficiency of the resultant algorithm on a Silicon Graphics Origin 2000 parallel computer is checked.

Himansu, Ananda↗

NASA NTRS2007

Hill Problem Analytical Theory to the Order Four. Application to the Computation of Frozen Orbits around Planetary Satellites

Frozen orbits of the Hill problem are determined in the double averaged problem, where short and long period terms are removed by means of Lie transforms. The computation of initial conditions of corresponding quasi periodic solutions in the non-averaged problem is straightforward for the perturbation method used provides the explicit equations of the transformation that connects the averaged and non-averaged models. A fourth order analytical theory reveals necessary for the accurate computation of quasi periodic, frozen orbits.

Lara, Martin↗

DOE OSTI2022

Assessing the energy equity benefits of energy storage solutions

Safety, reliability, efficiency, and affordability are no longer the sole tenets of electric grid planning. The evolving social and policy climate have placed new explicit requirements on the electric grid, including resilience, decarbonization, and energy equity and justice. Integrating energy equity strategies into modern grid design is intended to achieve a fair and just distribution of benefits within the energy system. This study aims to characterize the energy equity and community benefits of energy storage systems (ESS) under the following three use-case models: utility ESS that are operated within the distribution system; community-owned ESS; and behind-the-meter ESS that are customer-owned to serve the household. The goal of this energy equity analysis is to characterize the environmental, economic, and social benefits of ESS through applied metrics such as energy burden, energy poverty, energy vulnerability, job creation, and more. A 13.8 kV, 265 node representative feeder corresponding to the hot-humid climate of Louisiana, chosen for its high energy burden, frequent hurricanes and outage events, was used to perform a storage adequacy analysis for six different outage scenarios to determine energy storage access for each use-case. The results of this analysis are then used to characterize both the grid and equity benefits of storage solutions to inform a prioritization framework matching community needs with system preferences for utility planning processes, market regulations, and the wider network of energy system stakeholders.

Energy Equity, energy justice, equity, reliability↗

NASA NTRS1988

Implications of truncating semi-infinite physical domains on the accuracy of the solutions to the N-S equations

Numerical techniques for solving the Navier-Stokes equations of laminar incompressible flow over a forward-facing step on a semiinfinite flat plate are evaluated analytically and by means of sample computations. A primitive-variable method with pseudocompressibility and full mapping of the semiinfinite domain is compared with a vorticity/stream-function method with a truncated domain, applying a flux-corrected explicit finite-difference procedure to solve the discretized transport equations. The results are presented in graphs and compared with published experimental data. The solutions obtained with the truncated-domain methods are shown to be inaccurate, even in cases when they are smooth.

Dekruif, Jeffery S.↗

NASA NTRS1991

The computation of three-dimensional flows using unstructured grids

A general method is described for automatically discretizing, into unstructured assemblies of tetrahedra, the three-dimensional solution domains of complex shape which are of interest in practical computational aerodynamics. An algorithm for the solution of the compressible Euler equations which can be implemented on such general unstructured tetrahedral grids is described. This is an explicit cell-vertex scheme which follows a general Taylor-Galerkin philosophy. The approach is employed to compute a transonic inviscid flow over a standard wing and the results are shown to compare favorably with experimental observations. As a more practical demonstration, the method is then applied to the analysis of inviscid flow over a complete modern fighter configuration. The effect of using mesh adaptivity is illustrated when the method is applied to the solution of high speed flow in an engine inlet.

Morgan, K.↗

NASA NTRS1972

A crack problem with four distinct harmonic functions

The problem of an elastic solid containing a semi-infinite plane crack subjected to concentrated shears parallel to the edge of the crack is considered. A closed form solution using four distinct harmonic functions (none of which can be taken arbitrarily) is found to satisfy the finite displacement and inverse square root stress singularity at the edge of the crack. Explicit expressions in terms of elementary functions are given for the distribution of stress and displacement in the solid. These are obtained by employing Fourier and Kontorovich-Lebedev integral transforms and certain singular solutions of Laplace equations in three dimensions. The variations of the intensity of the local stress field along the crack border are shown graphically. An example is presented, which is in contrast with the conclusion established in the literature that one of the four Papkovich-Neuber functions in three-dimensional elasticity may be arbitrarily set to zero.

Sih, G. C.↗

NASA NTRS1986

Parabolized Navier-Stokes analysis of ducted turbulent mixing problems with finite-rate chemistry

A hybrid implicit/explicit approach for analyzing 2D ducted turbulent mixing problems with finite-rate chemistry is presented. The approach combines a fully-implicit parabolic mixing algorithm, an explicit viscous-characteristic based shock-capturing algorithm, and linearized implicit chemical kinetic algorithm. The resultant model provides spatial marching solutions of the parabolized Navier-Stokes (PNS) equations for supersonic combustion and viscous nozzle flowfields. Specialized procedures are incorporated to deal with the near wall sublayer and with small central pockets of subsonic flow. A parabolic option is available which can be utilized in the direct or inverse mode for design applications. The ability of the model to treat shock waves and wave/mixing layer interactions is assessed via comparisons of predictions with those of well established explicit shock-capturing Euler (SCIPPY) and PNS (SCIPVIS) models. Applications to a variety of supersonic combustion flowfield problems involving tangential or moderately inclined fuel injection, and, to a viscous nozzle flow problem, are presented. This paper serves to exhibit overall capabilities of the model developed and no comparisons with supersonic combustion data are presented. Such comparisons serve mainly to validate the modeling of the turbulence and turbulence/chemical interactions and will be the subject of a future paper.

Sinha, N.↗

DOE OSTI2024

Data for Microbial-Explicit Processes and Refined Perennial Plant Traits Improve Modeled Ecosystem Carbon Dynamics

Globally, soils hold approximately half of ecosystem carbon and can serve as a source or sink depending on climate, vegetation, management, and disturbance regimes. Understanding how soil carbon dynamics are influenced by these factors is essential to evaluate proposed natural climate solutions and policy regarding net ecosystem carbon balance. Soil microbes play a key role in both carbon fluxes and stabilization. However, biogeochemical models often do not specifically address microbial-explicit processes. Here, we incorporated microbial-explicit processes into the DayCent biogeochemical model to better represent large perennial grasses and mechanisms of soil carbon formation and stabilization. We also take advantage of recent model improvements to better represent perennial grass structural complexity and life-history traits. Specifically, this study focuses on: 1) a plant sub-model that represents perennial phenology and more refined plant chemistry with downstream implications for soil organic matter (SOM) cycling though litter inputs, 2) live and dead soil microbe pools that influence routing of carbon to physically protected and unprotected pools, 3) Michaelis-Menten kinetics rather than first-order kinetics in the soil decomposition calculations, and 4) feedbacks between decomposition and live microbial pools. We evaluated the performance of the plant sub-model and two SOM cycling sub-models, Michaelis-Menten (MM) and first-order (FO), using observations of net ecosystem production, ecosystem respiration, soil respiration, microbial biomass, and soil carbon from long-term bioenergy research plots in the mid-western United States. The MM sub-model represented seasonal dynamics of soil carbon fluxes better than the FO sub-model which consistently overestimated winter soil respiration. While both SOM sub-models were similarly calibrated to total, physically protected, and physically unprotected soil carbon measurements, the models differed in future soil carbon response to disturbance and climate, most notably in the protected pools. Adding microbial-explicit mechanisms of soil processes to ecosystem models will improve model predictions of ecosystem carbon balances but more data and research are necessary to validate disturbance and climate change responses and soil pool allocation.

Field Data↗

DOE OSTI2022

Modeling Solution Drying by Moving a Liquid-Vapor Interface: Method and Applications

A method of simulating the drying process of a soft matter solution with an implicit solvent model by moving the liquid-vapor interface is applied to various solution films and droplets. For a solution of a polymer and nanoparticles, we observe “polymer-on-top” stratification, similar to that found previously with an explicit solvent model. Furthermore, “polymer-on-top” is found even when the nanoparticle size is smaller than the radius of gyration of the polymer chains. For a suspension droplet of a bidisperse mixture of nanoparticles, we show that core-shell clusters of nanoparticles can be obtained via the “small-on-outside” stratification mechanism at fast evaporation rates. “Large-on-outside” stratification and uniform particle distribution are also observed when the evaporation rate is reduced. Polymeric particles with various morphologies, including Janus spheres, core-shell particles, and patchy particles, are produced from drying droplets of polymer solutions by combining fast evaporation with a controlled interaction between the polymers and the liquid-vapor interface. Our results validate the applicability of the moving interface method to a wide range of drying systems. The limitations of the method are pointed out and cautions are provided to potential practitioners on cases where the method might fail.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy

To resolve the fleeting structures of lanthanide Ln 3+ aqua ions in solution, we (i) performed the first ab initio molecular dynamics (AIMD) simulations of the entire series of Ln 3+ aqua ions in explicit water solvent using pseudopotentials and basis sets recently optimized for lanthanides and (ii) measured the symmetry of the hydrating waters about Ln 3+ ions (Nd 3+ , Dy 3+ , Er 3+ , Lu 3+ ) for the first time with extended X-ray absorption fine structure (EXAFS). EXAFS spectra were measured experimentally and generated from AIMD trajectories to directly compare simulation, which concurrently considers the electronic structure and the atomic dynamics in solution, with experiment. In this study, we performed a comprehensive evaluation of EXAFS multiple-scattering analysis (up to 6.5 Å) to measure Ln–O distances and angular correlations (i.e., symmetry) and elucidate the molecular geometry of the first hydration shell. This evaluation, in combination with symmetry-dependent L 3 - and L 1 -edge spectral analysis, shows that the AIMD simulations remarkably reproduces the experimental EXAFS data. The error in the predicted Ln–O distances is less than 0.07 Å for the later lanthanides, while we observed excellent agreement with predicted distances within experimental uncertainty for the early lanthanides. Our analysis revealed a dynamic, symmetrically disordered first coordination shell, which does not conform to a single molecular geometry for most lanthanides. This work sheds critical light on the highly elusive coordination geometry of the Ln 3+ aqua ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Dehydration-Driven Ion Aggregation and the Onset of Gelation in ZnCl2 Solution

A minimal model of ionic aggregation in concentrated ZnCl2 is developed, guided by molecular dynamics simulations with a machine-learned potential. It explicitly incorporates solvent-site depletion, correlated chloride binding, and allows for loops within Zn–Cl clusters. Dehydration drives two coordination-controlled structural changes: a crossover at Z=2 from predominantly isolated Zn-containing species to Cl-bridged clusters and the onset of gelation near Z≈3. The model reproduces the concentration-dependent trends observed in the molecular dynamics simulations with two fitted parameters, while the cluster-size distribution at the highest concentration is consistent with three-dimensional percolation scaling over the accessible range of cluster sizes.

25 ENERGY STORAGE↗

DOE OSTI2025

Toward quantum tunneling from excited states: Recovering imaginary-time instantons from a real-time analysis

We revisit the path integral description of quantum tunneling and its generalization to excited states. For clarity, we focus on the simple toy model of a point particle in a double-well potential, for which we perform all steps explicitly. Instead of performing the familiar Wick rotation from physical to imaginary time—which is inconsistent with the requisite boundary conditions when treating tunneling from excited states—we regularize the path integral by adding an infinitesimal complex contribution to the Hamiltonian, while keeping time strictly real. We find that this gives rise to a complex stationary-phase solution, in agreement with recent insights from Picard-Lefshetz theory. We then show that there exists a class of analytic solutions for the corresponding equations of motion, which can be made to match the appropriate boundary conditions in the physically relevant limits of a vanishing regulator and an infinite physical time. We provide a detailed discussion of this nontrivial limit. We find that, for systems without an explicit time-dependence, our approach reproduces the picture of an instantonlike solution defined on a finite Euclidean-time interval. Lastly, we discuss the generalization of our approach to broader classes of systems, for which it serves as a reliable framework for high-precision calculations. Published by the American Physical Society 2025

Steingasser, Thomas (ORCID:0000000217262117)↗

NASA NTRS1991

The energy decay in self-preserving isotropic turbulence revisited

The assumption of self-preservation allows for an analytical determination of the energy decay in isotropic turbulence. Here, the self-preserving isotropic decay problem is analyzed, yielding a more complete picture of self-serving isotropic turbulence. It is proven rigorously that complete self-serving isotropic turbulence admits two general types of asymptotic solutions: one where the turbulent kinetic energy K approximately t (exp -1) and one where K approximately t (sup alpha) with an exponent alpha greater than 1 that is determined explicitly by the initial conditions. By a fixed point analysis and numerical integration of the exact one-point equations, it is demonstrated that the K approximately t (exp -1) and where K approximately t (sup -alpha) with an exponent alpha greater than 1 that is determined explicitly by the initial conditions. By a fixed point analysis and numerical integration of the exact one point equations, it is demonstrated that the K approximately t (exp -1) power law decay is the asymptotically consistent high Reynolds number solution; the K approximately 1 (sup - alpha) decay law is only achieved in the limit as t yields infinity and the turbulence Reynolds number vanishes. Arguments are provided which indicate that a K approximately t (exp -1) power law decay is the asymptotic state towards which a complete self-preseving isotropic turbulence is driven at high Reynolds numbers in order to resolve the imbalance between vortex stretching and viscous diffusion.

Speziale, Charles G.↗

DOE OSTI2025

Additional considerations in analytical solution for time-dependent heat conduction in a three-dimensional multilayer sphere

This work presents an analytical method to solve the heat conduction equation in three dimensions for problems consisting of multilayer concentric spheres. The method can be used to treat time-varying heat conduction problems where the heat source that drives the transient is time-invariant. Equally applicable to all Poisson-type problems with concentric spherical geometry, the method consists of representing the solution as a summation of weighted eigenfunctions. The weights for each eigenfunction are computed algebraically. Previous work has already established the core constituents of the methodology. The current work augments the existing methods by including consideration of nonzero interface resistance between layers and explicit discussion on the boundary condition homogenization required to treat inhomogeneous problems. Also, two demonstration problems are presented. One demonstration problem is based on the method of manufactured solutions and therefore allows for comparison with exact expressions for the solution temperature distribution. The second, more complex, demonstration problem relies on the finite element method for comparisons. The expected convergence behavior is observed for both demonstration problems.

97 - MATHEMATICS AND COMPUTING↗