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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Numerical Simulation of the Instability of an Inviscid Liquid Jet in a Coflowing Compressible Airstream

The nonlinear interfacial instability of a liquid jet in a coflowing compressible airstream is studied numerically. A high-resolution scheme which has second-order accuracy in space and time is coupled with a Lagrangian marker particle algorithm to visualize the large-scale motion of the interfaces in compressible flow. A numerical algorithm based on an approximate equation of state of a compressible liquid is developed to allow this two-fluid system to be governed by the nonlinear unsteady Euler equations in conservative form. The initial growth of small disturbances given by the simulations agrees well with linear theory. The process of jet disruption in compressible flow is demonstrated to consist of the formation of liquid spikes, interweaving of the gas and liquid and stretching and detachment of the liquid main center core.

Li, H. -S.↗
NASA NTRSDate not supplied

Performance Analysis of SmallSat Aerocapture at Venus

Aerocapture is a method of spacecraft orbital insertion that has the potential to provide mass savings as compared to aerobraking. In particular, aerocapture at Venus is desirable due to high atmospheric density and potential for science return. While promising, accurate orbital insertion by means of aerocapture requires an active guidance, navigation, and control architecture. This paper documents the initial assessment of the performance of two guidance algorithms, a generalized numerical predictor corrector and the Fully-Numeric Predictor-corrector for Aerocapture Guidance, applied to smallsat aerocapture at Venus using two different simulation environments with equivalent simulation inputs. Nominal trajectory performance is assessed. In addition, Monte Carlo analysis is performed to compare each guidance algorithm’s performance under uncertainty.

aerocapture↗
NASA NTRS1986

High-accuracy computation of Delta V magnitude probability densities - Preliminary remarks

This paper describes an algorithm for the high accuracy computation of some statistical quantities of the magnitude of a random trajectory correction maneuver (TCM). The trajectory correction velocity increment Delta V is assumed to be a three-component random vector with each component being a normally distributed random scalar having a possibly nonzero mean. Knowledge of the statitiscal properties of the magnitude of a random TCM is important in the planning and execution of maneuver strategies for deep-space missions such as Galileo. The current algorithm involves the numerical integration of a set of differential equations. This approach allows the computation of density functions for specific Delta V magnitude distributions to high accuracy without first having to generate large numbers of random samples. Possible applications of the algorithm to maneuver planning, planetary quarantine evaluation, and guidance success probability calculations are described.

Chadwick, C.↗
NASA NTRS1991

Advanced rotorcraft control using parameter optimization

A reliable algorithm for the evaluation of a quadratic performance index and its gradients with respect to the controller design parameters is presented. The algorithm is part of a design algorithm for an optimal linear dynamic output feedback controller that minimizes a finite time quadratic performance index. The numerical scheme is particularly robust when it is applied to the control law synthesis for systems with densely packed modes and where there is a high likelihood of encountering degeneracies in the closed loop eigensystem. This approach through the use of a accurate Pade series approximation does not require the closed loop system matrix to be diagonalizable. The algorithm has been included in a control design package for optimal robust low order controllers. Usefulness of the proposed numerical algorithm has been demonstrated using numerous practical design cases where degeneracies occur frequently in the closed loop system under an arbitrary controller design initialization and during the numerical search.

Vansteenwyk, Brett↗
DOE OSTI2023

Efficient fully-coherent quantum signal processing algorithms for real-time dynamics simulation

Simulating the unitary dynamics of a quantum system is a fundamental problem of quantum mechanics, in which quantum computers are believed to have significant advantage over their classical counterparts. One prominent such instance is the simulation of electronic dynamics, which plays an essential role in chemical reactions, non-equilibrium dynamics, and material design. These systems are time-dependent, which requires that the corresponding simulation algorithm can be successfully concatenated with itself over different time intervals to reproduce the overall coherent quantum dynamics of the system. In this paper, we quantify such simulation algorithms by the property of being fully-coherent: the algorithm succeeds with arbitrarily high success probability 1 − δ while only requiring a single copy of the initial state. Here we subsequently develop fully-coherent simulation algorithms based on quantum signal processing (QSP), including a novel algorithm that circumvents the use of amplitude amplification while also achieving a query complexity additive in time t, ln(1/δ), and ln(1/ϵ) for error tolerance ϵ: $Θ‖\mathscr{H}‖|t|+ln(1/ϵ)+ln(1/δ)$. Furthermore, we numerically analyze these algorithms by applying them to the simulation of the spin dynamics of the Heisenberg model and the correlated electronic dynamics of an H2 molecule. Since any electronic Hamiltonian can be mapped to a spin Hamiltonian, our algorithm can efficiently simulate time-dependent ab initio electronic dynamics in the circuit model of quantum computation. Accordingly, it is also our hope that the present work serves as a bridge between QSP-based quantum algorithms and chemical dynamics, stimulating a cross-fertilization between these exciting fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Probe corrected far-field reconstruction from measurements on a cylinder: A novel formulation and efficient algorithm

A novel and numerically efficient method of far field evaluation from measurements taken on a cylinder is based on the representation of both the antenna and the probe fields as superpositions of plane waves. A system of two integral equations are established whose unknown functions are the azimuthal and elevation components of the antenna pattern and whose known terms are the set of measurement data taken with two different probes - the second probe in most practical instances being simply the same probe with a different geometrical orientation. The equations express the known data - for each angular position of the antenna under measurement - as the integrals of the products of the corresponding components of the unknown antenna and known probe patterns multiplied by a phase term. The convolutional nature of the integral equations makes their solutions straight-forward. If, as is virtually always the case, the probe is small or of moderate size so that the axis of rotation of the antenna mount is in the far field of the probe, the intervention of asymptotic techniques makes the solution numerically very efficient. The agreement of calculated and experimental patterns is excellent.

Borgiotti, G. V.↗
NASA NTRS1988

Numerical simulation of underexpanded plumes using upwind algorithms

The solution of the flow characteristics of highly underexpanded plumes is presently sought by means of a high-resolution total variation-diminishing upwind scheme featuring finite-volume metrics, Roe averaging with entropy correction, and monotonic upstream schemes for conservation laws. The existing approximate factorization schemes are used both as preconditioners and in order to apply the conjugate residual algorithm. The plumes treated are axisymmetric and laminar, and for an ideal gas that is allowed to be thermally incomplete. Simulations of the SSME and SRB plumes have been successfully conducted.

Obayashi, Shigeru↗
DOE OSTI2026

Towards a Verifiable Domain-Specific Language for Hardware-Accelerated Stencils

Defining a domain-specific language (DSL) that supports vector-calculus abstractions eases the porting of partial differential equation (PDE) solvers to specialized architectures. Sufficiently high-level abstractions empower users to express universal laws with sufficient generality that the laws must always hold true within their domain of validity. A broad class of PDE solvers employs stencil-based algorithms, the target domain of Berkeley Lab's stencil accelerator chip co-design project. First released as open-source in January 2026, the Formal software framework lays a foundation for defining an embedded DSL based on composable operators that implement mimetic numerical methods -- stencil algorithms that guarantee satisfaction of discrete versions of important vector calculus theorems. The Formal DSL will be the frontend to a new class of stencil-PDE accelerators developed jointly by LBNL, UHCL, and UC Berkeley through the DOE Competitive Portfolios for Computer Science Project. This offers the potential of an order of magnitude acceleration for this important category of computational methods to serve the DOE mission. Future work on the Formal DSL will facilitate software verification via type-safe templates that enable problem-specific correctness proofs relying upon generic function theory and carefully crafted unit tests.

Rouson, Damian↗
DOE OSTI2020

A crisis for the verification and validation of turbulence simulations

Three algorithms have been proposed for solution of the Rayleigh–Taylor turbulent mixing problem. They are based upon three different physical principles governing the Euler equations for fluid flow. The principles serve to select the physically relevant solution from among many nonunique solutions. The admissibility principle is in dispute. The three different algorithms, expressing the three physical admissibility principles can be formulated in terms of the three energy dissipation rates or the entropy production rates, as selected by the size of the sub grid scale coefficients. These have maximal values or less than maximal values. The resulting solutions are markedly different. We find strong validation evidence that supports the maximum rate principle, based on a review of prior results and on new results presented here. We review experimental data used for validation and sufficient to discriminate among the three. We present a new analysis of this data. We show that the hypothesized long wave length perturbations in the initial conditions are not significant, so that validation can be based on this data in a straight forward manner. One of the algorithms is labeled direct numerical simulation, but is not, and as a consequence, the two algorithms with less than maximal SGS coefficients are variants of one another. Finally recommendations for the numerical modeling of the deflagration to detonation transition in type Ia supernova are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1990

Efficient numerical simulation of electron states in quantum wires

A new algorithm is presented for the numerical simulation of electrons in a quantum wire as described by a two-dimensional eigenvalue problem for Schroedinger's equation coupled with Poisson's equation. Initially, the algorithm employs an underrelaxed fixed point iteration to generate an approximation which is reasonably close to the solution. Subsequently, this approximate solution is employed as an initial guess for a Jacobian-free implementation of an approximate Newton method. In this manner the nonlinearity in the model is dealt with effectively. The effectiveness of this approach is demonstrated in a set of numerical experiments which study the electron states on the cross section of a quantum wire structure based on III-V semiconductors at 4.2 and 77 K.

Kerkhoven, Thomas↗
DOE OSTI2025

Surrogate-Based Autotuning for Randomized Sketching Algorithms in Regression Problems

Algorithms from Randomized Numerical Linear Algebra (RandNLA) are known to be effective in handling high-dimensional computational problems, providing high-quality empirical performance as well as strong probabilistic guarantees. However, their practical application is complicated by the fact that the user needs to set various algorithm-specific tuning parameters which are different from those used in traditional NLA. This paper demonstrates how a surrogate-based autotuning approach can be used to address fundamental problems of parameter selection in RandNLA algorithms. In particular, we provide a detailed investigation of surrogate-based autotuning for sketch-and-precondition (SAP)-based randomized least squares methods, which have been one of the great success stories in modern RandNLA. Empirical results show that our surrogate-based autotuning approach can achieve near-optimal performance with much less tuning cost than a random search (up to about 7.6x fewer trials of different parameter configurations). Moreover, while our experiments focus on least squares, our results demonstrate a general-purpose autotuning pipeline applicable to any kind of RandNLA algorithm.

Cho, Younghyun↗
DOE OSTI2022

Asynchronous Truncated Multigrid-Reduction-in-Time

In this paper, we present the new “asynchronous truncated multigrid-reduction-in-time” (AT-MGRIT) algorithm for introducing time parallelism to the solution of discretized time-dependent problems. The new algorithm is based on the multigrid-reduction-in-time (MGRIT) approach, which, in certain settings, is equivalent to another common multilevel parallel-in-time method, Parareal. In contrast to Parareal and MGRIT that both consider a global temporal grid over the entire time interval on the coarsest level, the AT-MGRIT algorithm uses truncated local time grids on the coarsest level, each grid covering certain temporal subintervals. Further, these local grids can be solved completely in an independent way from each other, which reduces the sequential part of the algorithm and, thus, increases parallelism in the method. Here, we study the effect of using truncated local coarse grids on the convergence of the algorithm, both theoretically and numerically, and show, using challenging nonlinear problems, that the new algorithm consistently outperforms classical Parareal/MGRIT in terms of time to solution.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

ARKODE: A Flexible IVP Solver Infrastructure for One-step Methods

We describe the ARKODE library of one-step time integration methods for ordinary differential equation (ODE) initial-value problems (IVPs). In addition to providing standard explicit and diagonally implicit Runge–Kutta methods, ARKODE supports one-step methods designed to treat additive splittings of the IVP, including implicit-explicit (ImEx) additive Runge–Kutta methods and multirate infinitesimal (MRI) methods. We present the role of ARKODE within the SUNDIALS suite of time integration and nonlinear solver libraries, the core ARKODE infrastructure for utilities common to large classes of one-step methods, as well as its use of “time stepper” modules enabling easy incorporation of novel algorithms into the library. Numerical results show example problems of increasing complexity, highlighting the algorithmic flexibility afforded through this infrastructure, and include a larger multiphysics application leveraging multiple algorithmic features from ARKODE and SUNDIALS.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2006

Standardized Radiation Shield Design Methods: 2005 HZETRN

Research committed by the Langley Research Center through 1995 resulting in the HZETRN code provides the current basis for shield design methods according to NASA STD-3000 (2005). With this new prominence, the database, basic numerical procedures, and algorithms are being re-examined with new methods of verification and validation being implemented to capture a well defined algorithm for engineering design processes to be used in this early development phase of the Bush initiative. This process provides the methodology to transform the 1995 HZETRN research code into the 2005 HZETRN engineering code to be available for these early design processes. In this paper, we will review the basic derivations including new corrections to the codes to insure improved numerical stability and provide benchmarks for code verification.

Wilson, John W.↗
NASA NTRS1984

Exponential-fitted methods for integrating stiff systems of ordinary differential equations: Applications to homogeneous gas-phase chemical kinetics

Conventional algorithms for the numerical integration of ordinary differential equations (ODEs) are based on the use of polynomial functions as interpolants. However, the exact solutions of stiff ODEs behave like decaying exponential functions, which are poorly approximated by polynomials. An obvious choice of interpolant are the exponential functions themselves, or their low-order diagonal Pade (rational function) approximants. A number of explicit, A-stable, integration algorithms were derived from the use of a three-parameter exponential function as interpolant, and their relationship to low-order, polynomial-based and rational-function-based implicit and explicit methods were shown by examining their low-order diagonal Pade approximants. A robust implicit formula was derived by exponential fitting the trapezoidal rule. Application of these algorithms to integration of the ODEs governing homogenous, gas-phase chemical kinetics was demonstrated in a developmental code CREK1D, which compares favorably with the Gear-Hindmarsh code LSODE in spite of the use of a primitive stepsize control strategy.

Pratt, D. T.↗
DOE OSTI2026

Rapid Quantum Ground State Preparation via Dissipative Dynamics

Inspired by natural cooling processes, dissipation has become a promising approach for preparing low-energy states of quantum systems. However, the potential of dissipative protocols remains unclear beyond certain commuting Hamiltonians. This work provides significant analytical and numerical insights into the power of dissipation for preparing the ground state of noncommuting Hamiltonians. For quasi-free dissipative dynamics, including certain 1D spin systems with boundary dissipation, our results reveal a new connection between the mixing time in trace distance and the spectral properties of a non-Hermitian Hamiltonian, leading to an explicit and sharp bound on the mixing time that scales polynomially with system size. For more general spin systems, we develop a tensor network-based algorithm for constructing the Lindblad jump operator and for simulating the dynamics. Using this algorithm, we demonstrate numerically that dissipative ground state preparation protocols can achieve rapid mixing for certain 1D local Hamiltonians under bulk dissipation, with a mixing time that scales logarithmically with the system size. We then prove the rapid mixing result for certain weakly interacting spin and fermionic systems in arbitrary dimensions, extending recent results for high-temperature quantum Gibbs samplers to the zero-temperature regime. Together, these results show that dissipation can be a powerful tool for ground state preparation, with potential applications across condensed matter physics, quantum materials science, and beyond.

decoherence↗