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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Internal Designs Application for Inlet and Nozzle Aeroperformance Improvement

The following research results are based on development of an approach previously proposed by the authors for optimum nozzle design to obtain maximum thrust. The design was denoted a Telescope nozzle. A Telescope nozzle contains one or several internal designs of certain location, which are inserted at certain locations into a divergent conical or planar main nozzle near its exit. Such a design provides additional thrust augmentation over 20% by comparison with the optimum single nozzle of equivalent lateral area. What is more, recent experimental acoustic tests have discovered an essential noise reduction due to Telescope nozzles application. In this paper, some additional theoretical results are presented for Telescope nozzles and a similar approach is applied for aeroperformance improvement of a supersonic inlet. In addition, a classic gas dynamics problem of a similar supersonic flow into a plate has been analyzed. In some particular cases, new exact analytical solutions are obtained for a flow into a wedge with an oblique shock wave. Numerical simulations were conducted for supersonic flow into a divergent portion of a 2D or axisymmetric nozzle with several plane or conical designs as well as into a 2D or axisymmetric supersonic inlet with a forebody. The 1st order Kryko-Godunov march- ing numerical scheme for inviscid supersonic flows was used. Several cases were tested using the NASA CFL3d code based on full Navier-Stokes equations. Numerical simulation results have confirmed essential benefits of Telescope design applications in propulsion systems.

Gilinsky, M.↗
NASA NTRS1991

Stochastic inflation lattice simulations - Ultra-large scale structure of the universe

Non-Gaussian fluctuations for structure formation may arise in inflation from the nonlinear interaction of long wavelength gravitational and scalar fields. Long wavelength fields have spatial gradients, a (exp -1), small compared to the Hubble radius, and they are described in terms of classical random fields that are fed by short wavelength quantum noise. Lattice Langevin calculations are given for a toy model with a scalar field interacting with an exponential potential where one can obtain exact analytic solutions of the Fokker-Planck equation. For single scalar field models that are consistent with current microwave background fluctuations, the fluctuations are Gaussian. However, for scales much larger than our observable Universe, one expects large metric fluctuations that are non-Gaussian. This example illuminates non-Gaussian models involving multiple scalar fields which are consistent with current microwave background limits.

Salopek, D. S.↗
DOE OSTI2026

Strong-field QED limitations on TeV-class plasma wakefield accelerators

We demonstrate that quantum and classical radiation effects can become non-negligible for TeV-class beams propagating through plasma channels typical of staged plasma accelerators. Although the quantum nonlinearity parameter χ e remains small under currently envisioned experimental conditions, the cumulative influence of radiation over long acceleration distances can lead to significant modifications to the beam’s energy spread, emittance, and polarization. Our analytic models, validated by particle-in-cell simulations, highlight that for standard Gaussian beams, the orbit-induced energy spread dominates over quantum stochastic effects but can be mitigated by tailoring the beam profile, for example, through ring-shaped transverse distributions. In regimes where the radiation reaction approaches the accelerating force, the emittance may be cooled, forming distinctive ring-shaped phase-space structures. Finally, we analyze the influence of the radiation effect on spin transport inside the wakefield. These findings underscore the importance of considering both classical and quantum radiation dynamics in the design and optimization of future high-intensity plasma accelerators.

accelerator↗
DOE OSTI2024

Train small, model big: Scalable physics simulators via reduced order modeling and domain decomposition

Numerous cutting-edge scientific technologies originate at the laboratory scale, but transitioning them to practical industry applications is a formidable challenge. Traditional pilot projects at intermediate scales are costly and time-consuming. An alternative, the pilot-scale model, relies on high-fidelity numerical simulations, but even these simulations can be computationally prohibitive at larger scales. To overcome these limitations, we propose a scalable, physics-constrained reduced order model (ROM) method. The ROM identifies critical physics modes from small-scale unit components, projecting governing equations onto these modes to create a reduced model that retains essential physics details. We also employ Discontinuous Galerkin Domain Decomposition (DG-DD) to apply ROM to unit components and interfaces, enabling the construction of large-scale global systems without data at such large scales. Here this method is demonstrated on the Poisson and Stokes flow equations, showing that it can solve equations about 15–40 times faster with only ~1% relative error. Furthermore, ROM takes one order of magnitude less memory than the full order model, enabling larger scale predictions at a given memory limitation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Characterizing the impact of finite matrix block size on conservative particle transport through three-dimensional fracture networks

Mass transfer of solutes between fractures and the surrounding rock matrix exerts a noticeable signature on the tail of travel time distributions. When the width of the matrix is assumed to be infinite and advective transport through the fracture is sufficiently fast, the tails of the travel time distributions exhibit a classically expected slope of ψ(t) ∝ t -3/2 . However, studies have yet to characterize how solute transfer between fractures via diffusion through finite matrix blocks influences the tail’s slope in three-dimensional fractured media. Here, in this study, we assess the impact of finite matrix block size on breakthrough curve shape at different spatio-temporal scales by con ducting particle tracking simulations in three-dimensional discrete fracture networks. We consider a variety of hydrodynamic and geostructural proper ties to determine their relative impact on the resulting travel time distributions. We observe that the impact of matrix diffusion through a finite block on travel time distributions is similar to that of an infinite matrix block when the fracture spacing is sufficiently large, matrix diffusion is relatively weak, or transport is considered at an early control plane distance. We observe that the converse of these conditions, results in deviations from the classical ψ(t) ∝ t -3/2 scaling. These results provide a first step toward developing a metric to assess when finite block size effects are expected to significantly influence transport.

58 GEOSCIENCES↗
DOE OSTI2025

Effect of artificial viscosity on shocked particle-laden flows for staggered grid Lagrangian methods

Abstract Shocked particle-laden flows are important to many natural and industrial processes. When simulating these systems, artificial viscosity is often required to prevent numerical artifacts, such as ringing, from arising in the pressure and density fields. The linear and quadratic coefficients of the artificial viscosity determine the amount of smoothing that occurs in these fields. For particle-laden flows, however, many of the fluid–particle interaction forces, for example, the pressure gradient force and unsteady forces, depend on gradients in the fluid fields. Furthermore, while the shock passes over a particle, these forces can be more dominant than drag. This means that the artificial viscosity coefficients affect how a particle and fluid interact when simulating shocked particle systems. Here this effect is investigated for isolated particles and for a particle curtain using a staggered grid Lagrangian approach. The artificial viscosity coefficients have a significant impact on the maximum force that a fluid imparts to a particle, which is important for determining whether a particle will break up in response to the shock. Furthermore, it is found that the density ratio between the particle and the fluid is important in determining whether the artificial viscosity coefficients have a significant impact on the particle’s motion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Integrating Quantum Computing with High-Performance Computing: A Streamlined Approach

In recent years, quantum computing has demon-strated the potential to revolutionize specific algorithms and applications by solving problems exponentially faster than classical computers. However, its widespread adoption for general computing remains a future prospect. This paper discusses the integration of quantum computing within High-Performance Computing (HPC) environments, focusing on a resource management framework designed to streamline quantum simulators' use and enhance runtime performance and efficiency. The proposed framework facilitates hybrid applications' transition from simulation backends to real quantum hardware, optimizing resource utilization and providing a flexible infrastructure for developing and testing quantum algorithms.

Shehata, Amir↗
NASA NTRS2000

Towards Solving the Mixing Problem in the Decomposition of Geophysical Time Series by Independent Component Analysis

The use of the Principal Component Analysis technique for the analysis of geophysical time series has been questioned in particular for its tendency to extract components that mix several physical phenomena even when the signal is just their linear sum. We demonstrate with a data simulation experiment that the Independent Component Analysis, a recently developed technique, is able to solve this problem. This new technique requires the statistical independence of components, a stronger constraint, that uses higher-order statistics, instead of the classical decorrelation a weaker constraint, that uses only second-order statistics. Furthermore, ICA does not require additional a priori information such as the localization constraint used in Rotational Techniques.

Aires, Filipe↗
NASA NTRS1995

Simultaneous cerebrovascular and cardiovascular responses during presyncope

BACKGROUND AND PURPOSE: Presyncope, characterized by symptoms and signs indicative of imminent syncope, can be aborted in many situations before loss of consciousness occurs. The plasticity of cerebral autoregulation in healthy humans and its behavior during this syncopal prodrome are unclear, although systemic hemodynamic instability has been suggested as a key factor in the precipitation of syncope. Using lower body negative pressure (LBNP) to simulate central hypovolemia, we previously observed falling mean flow velocities (MFVs) with maintained mean arterial blood pressure (MABP). These findings, and recent reports suggesting increased vascular tone within the cerebral vasculature at presyncope, cannot be explained by the classic static cerebral autoregulation curve; neither can they be totally explained by a recent suggestion of a rightward shift in this curve. METHODS: Four male and five female healthy volunteers were exposed to presyncopal LBNP to evaluate their cerebrovascular and cardiovascular responses by use of continuous acquisition of MFV from the right middle cerebral artery with transcranial Doppler sonography, MABP (Finapres), and heart rate (ECG). RESULTS: At presyncope, MFV dropped on average by 27.3 +/- 14% of its baseline value (P < .05), while MABP remained at 2.0 +/- 27% above its baseline level. Estimated cerebrovascular resistance increased during LBNP. The percentage change from baseline to presyncope in MFV and MABP revealed consistent decreases in MFV before MABP. CONCLUSIONS: Increased estimated cerebrovascular resistance, falling MFV, and constant MABP are evidence of an increase in cerebral vascular tone with falling flow, suggesting a downward shift in the cerebral autoregulation curve. Cerebral vessels may have a differential sensitivity to sympathetic drive or more than one type of sympathetic innervation. Future work to induce dynamic changes in MABP during LBNP may help in assessing the plasticity of the cerebral autoregulation mechanism.

Non-NASA Center↗
NASA NTRS2008

Control Laws for a Dual-Spin Stabilized Platform

This paper describes two attitude control laws suitable for atmospheric flight vehicles with a steady angular momentum bias in the vehicle yaw axis. This bias is assumed to be provided by an internal flywheel, and is introduced to enhance roll and pitch stiffness. The first control law is based on Lyapunov stability theory, and stability proofs are given. The second control law, which assumes that the angular momentum bias is large, is based on a classical PID control. It is shown that the large yaw-axis bias requires that the PI feedback component on the roll and pitch angle errors be cross-fed. Both control laws are applied to a vehicle simulation in the presence of disturbances for several values of yaw-axis angular momentum bias. It is seen that both control laws provide a significant improvement in attitude performance when the bias is sufficiently large, but the nonlinear control law is also able to provide improved performance for a small value of bias. This is important because the smaller bias corresponds to a smaller requirement for mass to be dedicated to the flywheel.

Lim, K. B.↗
NASA NTRS2015

Effects of Atomic-Scale Structure on the Fracture Properties of Amorphous Carbon - Carbon Nanotube Composites

The fracture of carbon materials is a complex process, the understanding of which is critical to the development of next generation high performance materials. While quantum mechanical (QM) calculations are the most accurate way to model fracture, the fracture behavior of many carbon-based composite engineering materials, such as carbon nanotube (CNT) composites, is a multi-scale process that occurs on time and length scales beyond the practical limitations of QM methods. The Reax Force Field (ReaxFF) is capable of predicting mechanical properties involving strong deformation, bond breaking and bond formation in the classical molecular dynamics framework. This has been achieved by adding to the potential energy function a bond-order term that varies continuously with distance. The use of an empirical bond order potential, such as ReaxFF, enables the simulation of failure in molecular systems that are several orders of magnitude larger than would be possible in QM techniques. In this work, the fracture behavior of an amorphous carbon (AC) matrix reinforced with CNTs was modeled using molecular dynamics with the ReaxFF reactive forcefield. Care was taken to select the appropriate simulation parameters, which can be different from those required when using traditional fixed-bond force fields. The effect of CNT arrangement was investigated with three systems: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. For each arrangement, covalent bonds are added between the CNTs and AC, with crosslink fractions ranging from 0-25% of the interfacial CNT atoms. The SWNT and MWNT array systems represent ideal cases with evenly spaced CNTs; the SWNT bundle system represents a more realistic case because, in practice, van der Waals interactions lead to the agglomeration of CNTs into bundles. The simulation results will serve as guidance in setting experimental processing conditions to optimize the mechanical properties of CNT composites.

Jensen, Benjamin D.↗
DOE OSTI2025

A stress-sensitive precipitate nucleation model beyond classical nucleation theory

The dynamic evolution of precipitates and second phases dictates the strength and stability of most engineering alloys. By design, or as a consequence of thermo-mechanical aging, engineering metals and alloys often form precipitates of second phases when subjecting to diverse thermal and mechanical loads. Precipitation is governed by several factors, including the alloy’s composition, processing/operating temperature, and stresses — either as a result of external loads or from residual stresses. However, state-of-the-art models for precipitate nucleation (i.e., classical nucleation theory) typically lacks consistent method to capture the effects of externally applied and/or internal stresses on nucleation; thereby severely limiting the applicability of these models to complex materials systems and to representative loading scenarios. Here, in this work, we extend upon classical nucleation theory to account for the effect of stresses on precipitation kinetics and thermodynamics. This is achieved via the use of an Eshelbian micromechanics framework keeping track of (i) the stress build up resulting from second phase formation as a function of mechanical load and, (ii) the effects of dislocations on precipitate formation. This new model is applied to σ precipitate in Fe–Cr binary alloys and M 23 C 6 precipitate in 316H stainless steel (SS). Simulations demonstrate the important role of both the remotely applied loads and dislocation pile ups on precipitate nucleation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Kernel fusion in atomistic spin dynamics simulations on Nvidia GPUs using tensor core

In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins N, leading to significant computational effort. The GEMM subroutine can be adopted to accelerate the calculation of the dynamical spin-spin correlation function, but the computational cost of simulating large spin systems (>40000 spins) on CPUs remains expensive. In this work, we perform the simulation on the graphics processing unit (GPU), a hardware solution widely used as an accelerator for scientific computing and deep learning. Here we show that GPUs can accelerate the simulation up to 25-fold compared to multi-core CPUs when using the GEMM subroutine on both. To hide memory latency, we fuse the element-wise operation into the GEMM kernel using CUTLASS that can improve the performance by 26% ~ 33% compared to implementation based on cuBLAS. Furthermore, we perform the on-the-fly calculation in the epilogue of the GEMM subroutine to avoid saving intermediate results on global memory, which makes the large-scale atomistic spin dynamics simulation feasible and affordable.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Block-Structured Adaptive Mesh Framework to Solve Radiation Transfer Equation in Irregular Embedded Geometries

Radiation transport arises in various scientific, industrial, and medical fields, and understanding its effect in applications is needed to make accurate predictions, safety assessments and performance optimizations. Solving the Radiation Transport Equation (RTE) is challenging due to its integro-differential nature, which involves both differential and integral terms. The differential term describes the change in radiation intensity due to absorption and emission, while the integral term accounts for scattering. The accurate modeling of radiation is further complicated in many applications due to the complex, irregular geometries. Various methods exist for solving the RTE, including the zonal, Monte Carlo, spherical harmonics, discrete ordinates, and finite volume methods. Traditional mesh-based approaches, which rely on structured or unstructured meshes, struggle with irregular geometries due to: a) the difficulty of conforming structured grids to irregular domains, b) challenges in enforcing boundary conditions correctly, and c) the additional computational cost of unstructured mesh methods. This work presents a second-order accurate method for solving the RTE in irregular geometries. The radiation intensity is discretized using the finite-volume method in both spatial and angular directions on regular Cartesian grid blocks. Leveraging the block-structured adaptive mesh refinement (AMR) framework provided by AMReX, our method refines the grid locally to reduce spatial discretization error, ensuring a converged numerical solution while minimizing computational costs elsewhere. A two-stage deferred correction approach is employed: First, a first-order discretization on grid blocks is solved using an algebraic multigrid method in HYPRE. Second, a correction term is applied explicitly to achieve second-order accuracy. The correction term is calculated by approximating the radiation flux on cell faces using a Total Variation Diminishing (TVD) scheme. This approach ensures quick convergence of the multigrid method while preserving higher-order accuracy of the numerical solution. Irregular geometries are resolved as embedded boundaries (EB), resulting in both cut cells and regular cells. In cut cells, we modify the fluxes using face fractions and incorporate additional contributions from EB boundary conditions. To ensure higher-order convergence near the EB interface, the correction term is modified by interpolating the radiation intensity to fictitious ghost points. The implementation takes advantage of modern supercomputers by leveraging AMReX’sMPI/X parallelization strategy where X can be MPI or a GPU accelerator including CUDA, HIP and DPC++. We validate our solver using classical test cases, both with and without EB, demonstrating accuracy and efficiency. Additionally, we analyze the impact of adaptive mesh refinement on solution accuracy and computational cost, highlighting the advantages of our approach for high-resolution radiation transport simulations.

computational fluid dynamics (CFD)↗
DOE OSTI2025

Surrogate Constructed Scalable Circuits ADAPT-VQE in the Schwinger model

Inspired by recent advancements of simulating periodic systems on quantum computers, we develop a new approach, (SC)$^2$-ADAPT-VQE, to further advance the simulation of these systems. Our approach extends the scalable circuits ADAPT-VQE framework, which builds an ansatz from a pool of coordinate-invariant operators defined for arbitrarily large, though not arbitrarily small, volumes. Our method uses a classically tractable ``Surrogate Constructed'' method to remove irrelevant operators from the pool, reducing the minimum size for which the scalable circuits are defined. Bringing together the scalable circuits and the surrogate constructed approaches forms the core of the (SC)$^2$ methodology. Our approach allows for a wider set of classical computations, on small volumes, which can be used for a more robust extrapolation protocol. While developed in the context of lattice models, the surrogate construction portion is applicable to a wide variety of problems where information about the relative importance of operators in the pool is available. As an example, we use it to compute properties of the Schwinger model - quantum electrodynamics for a single, massive fermion in $1+1$ dimensions - and show that our method can be used to accurately extrapolate to the continuum limit.

Gustafson, Erik [RIACS, Mtn. View] (ORCID:00000001↗
NASA NTRS2021

Non-Causal Controller Approximation Methodology Augmented with Model Reference Control – Robust Design

This paper describes the development of a new control design methodology based on a non-causal controller structure and its approximation. The non-causal controller design is based on a loop shaping approach. Partial fraction decomposition is used, along with derivative approximations, to derive a proper transfer function design for a causal control structure. The premise for this non-causal control methodology is that the phase delay as a function of frequency ideally remains within approximately -90o, which tends to make the system robustly stable to uncertainties in the plant dynamics. To have a predictable control system response in lieu of the tolerance of this methodology to relatively large uncertainty in the plant dynamics, the approach is augmented with model reference control. The addition of model reference control can potentially further enhance the robustness of the design. A control system design example is presented in this paper, along with simulation results, to demonstrate the high degree of robustness of this non-causal methodology and its augmentation.

Control Systems↗
DOE OSTI2025

Para-particle oscillator simulations on a trapped-ion quantum computer

Deformed oscillators allow for a generalization of the standard fermions and bosons, namely, for the description of para-particles. Such particles remain hypothetical and unobserved in nature; yet, they can model physical phenomena, such as topological phases of matter. Here, we report the digital quantum simulation of para-particle oscillators by mapping para-particle states to the state of a qubit register, which allows us to identify the para-particle oscillator Hamiltonian as an XY model and further digitize the system onto a universal set of gates. In both instances, the gate depth grows polynomially with the number of qubits used. To establish the validity of our results, we experimentally simulate the dynamics of para-fermions and para-bosons, demonstrating full control of para-particle oscillators on a quantum computer. Furthermore, we compare the overall performance of the digital simulation of dynamics of the driven para-Fermi oscillator to a recent analog quantum simulation result.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Tardigrade-examples V0.1.0

Tardigrade-examples is a repository of computational workflows that exercise the Tardigrade software package. The Tardigrade software package is an implementation of Eringen’s micromorphic continuum theory with capabilities to support multiscale material modeling. These capabilities include homogenization through the Micromorphic Filter, calibration of micromorphic material models, and macroscale simulation in Tardigrade-MOOSE. This repository investigates continuum upscaling of various direct numerical simulations (DNS) conducted in Abaqus finite element (FE), Ratel FE, and GEOS material point method (MPM) software. Verification of the upscaling workflow is first investigated by considering DNS of trivial stress states for homogeneous materials, results of which indicate that classical continuum behavior is recovered as expected. DNS of heterogeneous materials are then considered.

Allard, Thomas↗