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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 595 records · Page 33

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NASA NTRS1993

A detailed study of mean-flow solutions for stability analysis of transitional flows

A finite-volume upwind-difference parabolized Navier-Stokes code is utilized to obtain laminar mean-flow solutions at Mach 3.5 on a half-angle cone of 5 deg at an angle-of-attack of 2 deg. A detailed study is conducted on this configuration; the main focus is the velocity profiles in the leeward and windward symmetry planes at various axial locations. Comparisons of the solution profiles are made with both a central-difference code that incorporates scalar and matrix dissipation models and another state-of-the-art upwind-difference finitevolume code. The results obtained emphasize the importance of using matrix dissipation models for schemes that require explicit artificial dissipation. These results also illustrate the accuracy and efficiency of the planeby-plane marching procedure for computing mean-flow solutions for predicting the onset of transition with linear instability.

Ramakrishnan, R.↗

NASA NTRS1985

Accelerated solution of the steady Euler equations

The present paper is concerned with two methods for the accelerated solution of the steady Euler equations. One method makes use of a second-order embedding to facilitate the derivation of the relaxation solution of the steady equations of motion, while the other method employs a multile-gridding concept to accelerate the convergence of a simple, explicit, time-marching scheme applied to the unsteady equations. It is pointed out that the surrogate equation technique provides a means for formulating problems involving the full steady Euler equations in such a way as to allow the use of relaxation solution procedures. It is, therefore, possible to solve either irrotational or rotational flow problems spanning the entire spectrum of subsonic, transonic, and supersonic conditions. The solutions can be obtained without an employement of either derived dependent variables, semidirect methods, or an unsteady formulation.

Johnson, G. M.↗

NASA NTRS1985

Numerical solution of the two-dimensional Euler equations by second-order upwind difference schemes

Two time-level, five-point explicit and implicit upwind difference schemes based on the characteristic flux difference splitting concept have been developed for the two-dimensional Euler equations. The method is conservative, second-order accurate in time and space, and general coordinate systems are used to treat complex geometries. Nonlinear flux limiters are employed to yield oscillation free sharp shock profiles. Upstream interpolation is used to yield a class of higher-order upwind schemes which closely mimic the locally one-dimensional method of characteristics (with fixed time intervals) through operator splitting. Numerical results have been obtained for a plane shock reflection and for flow over a circular arc in a channel. Characteristics of upwind TVD schemes, as applied to two-dimensional flows with embedded shocks are discussed.

Yang, J. Y.↗

NASA NTRS1990

A package for 3-D unstructured grid generation, finite-element flow solution and flow field visualization

A set of computer programs for 3-D unstructured grid generation, fluid flow calculations, and flow field visualization was developed. The grid generation program, called VGRID3D, generates grids over complex configurations using the advancing front method. In this method, the point and element generation is accomplished simultaneously, VPLOT3D is an interactive, menudriven pre- and post-processor graphics program for interpolation and display of unstructured grid data. The flow solver, VFLOW3D, is an Euler equation solver based on an explicit, two-step, Taylor-Galerkin algorithm which uses the Flux Corrected Transport (FCT) concept for a wriggle-free solution. Using these programs, increasingly complex 3-D configurations of interest to aerospace community were gridded including a complete Space Transportation System comprised of the space-shuttle orbitor, the solid-rocket boosters, and the external tank. Flow solutions were obtained on various configurations in subsonic, transonic, and supersonic flow regimes.

Parikh, Paresh↗

DOE OSTI2019

Machine Learning-Guided Approach for Studying Solvation Environments

Molecular-level understanding and characterization of solvation environments are often needed across chemistry, biology, and engineering. Toward practical modeling of local solvation effects of any solute in any solvent, in this work, we report a static and all-quantum mechanics-based cluster-continuum approach for calculating single-ion solvation free energies. This approach uses a global optimization procedure to identify low-energy molecular clusters with different numbers of explicit solvent molecules and then employs the smooth overlap for atomic positions learning kernel to quantify the similarity between different low-energy solute environments. From these data, we use sketch maps, a nonlinear dimensionality reduction algorithm, to obtain a two-dimensional visual representation of the similarity between solute environments in differently sized microsolvated clusters. After testing this approach on different ions having charges 2+, 1+, 1–, and 2–, we find that the solvation environment around each ion can be seen to usually become more similar in hand with its calculated single-ion solvation free energy. Without needing either dynamics simulations or an a priori knowledge of local solvation structure of the ions, this approach can be used to calculate solvation free energies within 5% of experimental measurements for most cases, and it should be transferable for the study of other systems where dynamics simulations are not easily carried out.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2018

Analytic Expressions for Derivatives from Series Solutions to the Three Body Problem

This paper presents a notation system to facilitate to solution of diﬀerential equations via Taylor series expansions and applies it to solve the circular restricted three body problem. Unlike previous Taylor series methods in the astrodynamics literature, computer algebra solvers are not used. Instead the notation system allows one to solve a system of diﬀerential equations analytically “by hand” without resorting to computer algebra software. This method produces recurrence relations explicitly in terms of a sequence of derivatives of the state with respect to time for the coeﬃcients of Taylor Series solutions that can be evaluated numerically or manipulated further to investigate properties of the solution. For example, additional derivatives with respect to other parameters may also be found, including those that describe the dependence of the solution on initial conditions.

Strange, Nathan↗

NASA NTRS1992

Short-arc orbit determination using coherent X-band ranging data

The use of X-band frequencies in ground-spacecraft and spacecraft-ground telecommunication links for current and future robotic interplanetary missions makes it possible to perform ranging measurements of greater accuracy than previously obtained. It is shown that ranging data of sufficient accuracy, when acquired from multiple stations, can sense the geocentric angular position of a distant spacecraft. The application of high-accuracy S/X-band and X-band ranging to orbit determination with relatively short data arcs is investigated in planetary approach and encounter scenarios. Actual trajectory solutions for the Ulysses spacecraft constructed from S/X-band ranging and Doppler data are presented; error covariance calculations are used to predict the performance of X-band ranging and Doppler data. The Ulysses trajectory solutions indicate that the aim point for the spacecraft's February 1992 Jupiter encounter was predicted to a geocentric accuracy of 0.20 to 0.23/microrad. Explicit modeling of range bias parameters for each station pass is shown to largely remove systematic ground system calibration errors and transmission media effects from the Ulysses range measurements, which would otherwise corrupt the angle finding capabilities of the data. The Ulysses solutions were found to be reasonably consistent with the theoretical results, which suggest that angular accuracies of 0.08 to 0.1/microrad are achievable with X-band ranging.

Thurman, S. W.↗

NASA NTRS2011

Conjugate Compressible Fluid Flow and Heat Transfer in Ducts

A computational approach to modeling transient, compressible fluid flow with heat transfer in long, narrow ducts is presented. The primary application of the model is for analyzing fluid flow and heat transfer in solid propellant rocket motor nozzle joints during motor start-up, but the approach is relevant to a wide range of analyses involving rapid pressurization and filling of ducts. Fluid flow is modeled through solution of the spatially one-dimensional, transient Euler equations. Source terms are included in the governing equations to account for the effects of wall friction and heat transfer. The equation solver is fully-implicit, thus providing greater flexibility than an explicit solver. This approach allows for resolution of pressure wave effects on the flow as well as for fast calculation of the steady-state solution when a quasi-steady approach is sufficient. Solution of the one-dimensional Euler equations with source terms significantly reduces computational run times compared to general purpose computational fluid dynamics packages solving the Navier-Stokes equations with resolved boundary layers. In addition, conjugate heat transfer is more readily implemented using the approach described in this paper than with most general purpose computational fluid dynamics packages. The compressible flow code has been integrated with a transient heat transfer solver to analyze heat transfer between the fluid and surrounding structure. Conjugate fluid flow and heat transfer solutions are presented. The author is unaware of any previous work available in the open literature which uses the same approach described in this paper.

Cross, M. F.↗

DOE OSTI2021

An asymptotically compatible treatment of traction loading in linearly elastic peridynamic fracture

Meshfree discretizations of state-based peridynamic models are attractive due to their ability to naturally describe fracture of general materials. However, two factors conspire to prevent meshfree discretizations of state-based peridynamics from converging to corresponding local solutions as resolution is increased: quadrature error prevents an accurate prediction of bulk mechanics, and the lack of an explicit boundary representation presents challenges when applying traction loads. Herein, we develop a reformulation of the linear peridynamic solid (LPS) model to address these shortcomings, using improved meshfree quadrature, a reformulation of the nonlocal dilatation, and a consistent handling of the nonlocal traction condition to construct a model with rigorous accuracy guarantees. In particular, these improvements are designed to enforce discrete consistency in the presence of evolving fractures, whose a priori unknown location render consistent treatment difficult. In the absence of fracture, when a corresponding classical continuum mechanics model exists, our improvements provide asymptotically compatible convergence to corresponding local solutions, eliminating surface effects and issues with traction loading which have historically plagued peridynamic discretizations. When fracture occurs, our formulation automatically provides a sharp representation of the fracture surface by breaking bonds, avoiding the loss of mass. We provide rigorous error analysis and demonstrate convergence for a number of benchmarks, including manufactured solutions, free-surface, nonhomogeneous traction loading, and composite material problems. Finally, we validate simulations of brittle fracture against a recent experiment of dynamic crack branching in soda-lime glass, providing evidence that the scheme yields accurate predictions for practical engineering problems.

42 ENGINEERING↗

DOE OSTI2023

Accelerating cosmology from Λ < 0 gravitational effective field theory

A large class of Λ < 0 cosmologies have big-bang/big crunch spacetimes with time-symmetric backgrounds and asymptotically AdS Euclidean continuations suggesting a possible holographic realization. We argue that these models generically have time-dependent scalar fields, and these can lead to realistic cosmologies at the level of the homogeneous background geometry, with an accelerating phase prior to the turnaround and crunch. We first demonstrate via explicit effective field theory examples that models with an asymptotically AdS Euclidean continuation can also exhibit a period of accelerated expansion without fine tuning. We then show that certain significantly more tuned examples can give predictions arbitrarily close to a ΛCDM model. Finally, we demonstrate via an explicit construction that the potentials of interest can arise from a superpotential, thus suggesting that these solutions may be compatible with an underlying supersymmetric theory.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

A scalable matrix-free spectral element approach for unsteady PDE constrained optimization using PETSc/TAO

In this work, we provide a new approach for the efficient matrix-free application of the transpose of the Jacobian for the spectral element method for the adjoint-based solution of partial differential equation (PDE) constrained optimization. This results in optimizations of nonlinear PDEs using explicit integrators where the integration of the adjoint problem is not more expensive than the forward simulation. Solving PDE constrained optimization problems entails combining expertise from multiple areas, including simulation, computation of derivatives, and optimization. The Portable, Extensible Toolkit for Scientific computation (PETSc) together with its companion package, the Toolkit for Advanced Optimization (TAO), is an integrated numerical software library that contains an algorithmic/software stack for solving linear systems, nonlinear systems, ordinary differential equations, differential algebraic equations, and large-scale optimization problems and, as such, is an ideal tool for performing PDE-constrained optimization. This paper describes an efficient approach in which the software stack provided by PETSc/TAO can be used for large-scale nonlinear time-dependent problems. Time integration can involve a range of high-order methods, both implicit and explicit. The PDE-constrained optimization algorithm used is gradient-based and seamlessly integrated with the simulation of the physical problem.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A Novel Partitioned Approach for Reduced Order Model—Finite Element Model (ROM-FEM) and ROM-ROM Coupling

Partitioned methods allow one to build a simulation capability for coupled problems by reusing existing single-component codes. In so doing, partitioned methods can shorten code development and validation times for multiphysics and multiscale applications. In this work, we consider a scenario in which one or more of the “codes” being coupled are projection-based reduced order models (ROMs), introduced to lower the computational cost associated with a particular component. We simulate this scenario by considering a model interface problem that is discretized independently on two non-overlapping subdomains. Here we then formulate a partitioned scheme for this problem that allows the coupling between a ROM “code” for one of the subdomains with a finite element model (FEM) or ROM “code” for the other subdomain. The ROM “codes” are constructed by performing proper orthogonal decomposition (POD) on a snapshot ensemble to obtain a low-dimensional reduced order basis, followed by a Galerkin projection onto this basis. The ROM and/or FEM “codes” on each subdomain are then coupled using a Lagrange multiplier representing the interface flux. To partition the resulting monolithic problem, we first eliminate the flux through a dual Schur complement. Application of an explicit time integration scheme to the transformed monolithic problem decouples the subdomain equations, allowing their independent solution for the next time step. We show numerical results that demonstrate the proposed method’s efficacy in achieving both ROM-FEM and ROM-ROM coupling.

de Castro, Amy↗

DOE OSTI2026

Desmearing Bonse–Hart USANS data using Bayesian Gaussian process regression

Ultra-small-angle neutron scattering (USANS) enables access to micrometer-scale structures but is intrinsically affected by strong, anisotropic resolution smearing arising from slit-geometry optics. As a result, recovery of the intrinsic scattering intensity constitutes an ill-posed inverse problem, and commonly used iterative desmearing methods lack rigorous uncertainty quantification. We present a Bayesian desmearing framework for slit-geometry USANS based on Gaussian process regression. In this approach, the scattering intensity is modeled as a smooth random function, and the instrumental point spread function is incorporated explicitly as a forward operator. The resulting formulation yields a closed-form maximum a posteriori solution with well-defined credibility intervals. Computational benchmarks and experimental validation using combined USANS and small-angle neutron scattering (SANS) measurements demonstrate that the framework enables stable desmearing, suppresses experimental noise, and preserves physically meaningful structural features under realistic conditions.

Tung, Chi-Huan [Oak Ridge National Laboratory (ORN↗

DOE OSTI2024

Lyapunov exponent as a signature of dissipative many-body quantum chaos

A distinct feature of Hermitian quantum chaotic dynamics is the exponential increase of certain out-of-time-order correlation (OTOC) functions around the Ehrenfest time with a rate given by a Lyapunov exponent. Physically, the OTOCs describe the growth of quantum uncertainty that crucially depends on the nature of the quantum motion. Here, we employ the OTOC in order to provide a precise definition of dissipative quantum chaos. For this purpose, we compute analytically the Lyapunov exponent for the vectorized formulation of the large- q limit of a q -body Sachdev-Ye-Kitaev model coupled to a Markovian bath. These analytic results are confirmed by an explicit numerical calculation of the Lyapunov exponent for several values of q ≥ 4 based on the solutions of the Schwinger-Dyson and Bethe-Salpeter equations. We show that the Lyapunov exponent decreases monotonically as the coupling to the bath increases and eventually becomes negative at a critical value of the coupling signaling a transition to a dynamics which is no longer quantum chaotic. Therefore, a positive Lyapunov exponent is a defining feature of dissipative many-body quantum chaos. The observation of the breaking of the exponential growth for sufficiently strong coupling suggests that dissipative quantum chaos may require in certain cases a sufficiently weak coupling to the environment. Published by the American Physical Society 2024

García-García, Antonio M.↗

DOE OSTI2021

High-precision quantum algorithms for partial differential equations

Quantum computers can produce a quantum encoding of the solution of a system of differential equations exponentially faster than a classical algorithm can produce an explicit description. However, while high-precision quantum algorithms for linear ordinary differential equations are well established, the best previous quantum algorithms for linear partial differential equations (PDEs) have complexity poly(1/ϵ), where ϵ is the error tolerance. By developing quantum algorithms based on adaptive-order finite difference methods and spectral methods, we improve the complexity of quantum algorithms for linear PDEs to be poly(d,log(1/ϵ)), where d is the spatial dimension. Our algorithms apply high-precision quantum linear system algorithms to systems whose condition numbers and approximation errors we bound. We develop a finite difference algorithm for the Poisson equation and a spectral algorithm for more general second-order elliptic equations.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1973

The electric field in the vicinity of a photo-emitting plate in a plasma

Knowledge of the electric field in the vicinity of a spacecraft provides necessary corrections to measurements of ambient fields and charged particle fluxes and a required parameter to understand the motion of dust particles and grains around the spacecraft. The complex problem of the entire electric field, needed for grain transport calculations, is treated for the one-dimensional case. By approximations to the analysis of a photo-emitting plate immersed in a dilute plasma, explicit expressions for the potential and the electric field were derived. The two classes of implicit solutions for the potential reported by them are shown to yield essentially identical results for the conditions in our solar system. The values were obtained following assumptions of a later paper by Guernsey and Fu, in which the emitted photoelectron distribution is taken as Maxwellian. These results are compared with a simple model due to Grand and Tunaley, wherein the effect of the dilute plasma is neglected entirely.

Barengoltz, J.↗

NASA NTRS1980

Relating viscosity to polymer concentration

Equation developed by VanDijk and first applied to viscosity of Newtonian suspension of rigid particles by Eilers is rearranged to yield intrinsic viscosity as explicit function of polymer concentration in polymer solvent system. Experiments have shown relationship valid for polymer solutions having relative viscosities ranging from 1 to 100.

Fedors, R. F.↗

NASA NTRS1984

Aerothermal loads analysis for high speed flow over a quilted surface configuration

Attention is given to hypersonic laminar flow over a quilted surface configuration that simulates an array of Space Shuttle Thermal Protection System panels bowed in a spherical shape as a result of thermal gradients through the panel thickness. Pressure and heating loads to the surface are determined. The flow field over the configuration was mathematically modeled by means of time-dependent, three-dimensional conservation of mass, momentum, and energy equations. A boundary mapping technique was then used to obtain a rectangular, parallelepiped computational domain, and an explicit MacCormack (1972) explicit time-split predictor-corrector finite difference algorithm was used to obtain steady state solutions. Total integrated heating loads vary linearly with bowed height when this value does not exceed the local boundary layer thickness.

Olsen, G. C.↗