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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Improved Convergence and Robustness of USM3D Solutions on Mixed-Element Grids

Several improvements to the mixed-element USM3D discretization and defect-correction schemes have been made. A new methodology for nonlinear iterations, called the Hierarchical Adaptive Nonlinear Iteration Method, has been developed and implemented. The Hierarchical Adaptive Nonlinear Iteration Method provides two additional hierarchies around a simple and approximate preconditioner of USM3D. The hierarchies are a matrix-free linear solver for the exact linearization of Reynolds-averaged Navier-Stokes equations and a nonlinear control of the solution update. Two variants of the Hierarchical Adaptive Nonlinear Iteration Method are assessed on four benchmark cases, namely, a zero-pressure-gradient flat plate, a bump-in-channel configuration, the NACA 0012 airfoil, and a NASA Common Research Model configuration. The new methodology provides a convergence acceleration factor of 1.4 to 13 over the preconditioner-alone method representing the baseline solver technology.

Pandya, Mohagna J.↗
DOE OSTI2026

A Scalable Reduced‐Order Model for the Steady Navier–Stokes Equations

Scaling up new scientific technologies from laboratory to industry often involves demonstrating performance on a larger scale. Computer simulations can accelerate design and predictions in the deployment process, though traditional numerical methods are computationally intractable even for intermediate pilot plant scales. Recently, the component reduced order modeling method has been developed to tackle this challenge by combining projection reduced order modeling and discontinuous Galerkin domain decomposition. However, while many scientific or engineering applications involve nonlinear physics, this method has only been demonstrated for various linear systems. In this work, the component reduced order modeling method is extended to steady Navier–Stokes flow, with application to general nonlinear physics in view. The large‐scale, global domain is decomposed into a combination of small‐scale unit component. Linear subspaces for flow velocity and pressure are identified via proper orthogonal decomposition over sample snapshots collected from each small‐scale unit component. Velocity bases are augmented with a pressure supremizer to satisfy the inf–sup condition for stable pressure prediction. Two different nonlinear reduced order modeling methods are employed and compared for efficient evaluation of nonlinear advection: A third‐order tensor projection operator and the empirical quadrature procedure. The proposed method is demonstrated on the flow over arrays of five different unit objects, achieving a 23‐fold speedup with less than 4% relative error in domains up to 256 times larger than the unit components. Furthermore, a numerical experiment with the pressure supremizer strongly indicates the need for a supremizer for stable pressure prediction. A comparison between the tensorial approach and the empirical quadrature procedure revealed a slight advantage of the empirical quadrature procedure. The framework is compared with an alternating Schwarz‐based reduced‐order approach, demonstrating improved efficiency and robustness for the DG‐based global solver while retaining flexibility for sub‐scale iterative solvers. The method is further extended to a coupled advection–diffusion and Navier–Stokes system, illustrating its applicability to multi‐physics problems and its potential for more general, inter‐coupled nonlinear systems.

42 ENGINEERING↗
DOE OSTI2026

Ultrasonic-Assisted Extrusion Processing for Enhancing Physical Properties of High-Density Polyethylene by Flow-Induced Crystallization

The evolution of crystallinity resulting from stress imposed on a melt, known as flow-induced crystallinity, can strongly influence the mechanical and physical properties of semicrystalline polymers. This study investigates shear-induced crystallization by applying an ultrasonic field to the melt flow as it passes through dies with various geometries. A custom-built sonication die is employed for controlling the dynamic temperature and shear environment, resulting in molecular alignment and potential for flow-induced crystallization. Application of both conventional and ultrasonic shear rates at the equilibrium melt temperature of high-density polyethylene (HDPE) was investigated to accelerate crystallinity and manipulate the crystal morphology across the film in pursuit of improved mechanical and gas barrier properties without the need for additives or other polymer layers. The relationships among ultrasonic-assisted extrusion processing, polymer structure, and performance were analyzed using wide- and small-angle X-ray scattering (WAXS and SAXS), tensile testing, and oxygen transmission rate (OTR) analysis. Multiple linear regression models were implemented to predict the correlation among HDPE structure, process, and properties. Structural analysis revealed that both conventional and ultrasonic shear rates had the most significant influence on lamellar spacing and redistribution of rigid and soft amorphous fractions within the crystalline domains, ultimately dictating the mechanical and physical properties of the films. The goal is to explore the potential of the ultrasonic-assisted high crystallinity monolayer that can replace some of the functionality of complex, heterogeneous multilayer packaging with a single-material film having enhanced oxygen barrier properties.

crystallinity↗
DOE OSTI2022

A Stochastic Reduced-Order Model for Statistical Microstructure Descriptors Evolution

Integrated computational materials engineering (ICME) models have been a crucial building block for modern materials development, relieving heavy reliance on experiments and significantly accelerating the materials design process. However, ICME models are also computationally expensive, particularly with respect to time integration for dynamics, which hinders the ability to study statistical ensembles and thermodynamic properties of large systems for long time scales. To alleviate the computational bottleneck, we propose to model the evolution of statistical microstructure descriptors as a continuous-time stochastic process using a non-linear Langevin equation, where the probability density function (PDF) of the statistical microstructure descriptors, which are also the quantities of interests (QoIs), is modeled by the Fokker–Planck equation. In this work, we discuss how to calibrate the drift and diffusion terms of the Fokker–Planck equation from the theoretical and computational perspectives. The calibrated Fokker–Planck equation can be used as a stochastic reduced-order model to simulate the microstructure evolution of statistical microstructure descriptors PDF. Considering statistical microstructure descriptors in the microstructure evolution as QoIs, we demonstrate our proposed methodology in three integrated computational materials engineering (ICME) models: kinetic Monte Carlo, phase field, and molecular dynamics simulations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1977

Solution of transient optimization problems by using an algorithm based on nonlinear programming

An algorithm is presented for solution of dynamic optimization problems which are nonlinear in the state variables and linear in the control variables. It is shown that the optimal control is bang-bang. A nominal bang-bang solution is found which satisfies the system equations and constraints, and influence functions are generated which check the optimality of the solution. Nonlinear optimization (gradient search) techniques are used to find the optimal solution. The algorithm is used to find a minimum time acceleration for a turbofan engine.

Teren, F.↗
NASA NTRS1978

Flight-determined stability and control coefficients of the F-111A airplane

A complete set of linear stability and control derivatives of the F-111A airplane was determined with a modified maximum likelihood estimator. The derivatives were determined at wing sweep angles of 26 deg, 35 deg, and 58 deg. The flight conditions included a Mach number range of 0.63 to 1.43 and an angle of attack range of 2 deg to 15 deg. Maneuvers were performed at normal accelerations from 0.9g to 3.8g during steady turns to assess the aeroelastic effects on the stability and control characteristics. The derivatives generally showed consistent trends and reasonable agreement with the wind tunnel estimates. Significant Mach effects were observed for Mach numbers as low as 0.82. No large effects attributable to aeroelasticity were noted.

Iliff, K. W.↗
NASA NTRS1977

Solution of transient optimization problems by using an algorithm based on nonlinear programming

A new algorithm is presented for solution of dynamic optimization problems which are nonlinear in the state variables and linear in the control variables. It is shown that the optimal control is bang-bang. A nominal bang-bang solution is found which satisfies the system equations and constraints, and influence functions are generated which check the optimality of the solution. Nonlinear optimization (gradient search) techniques are used to find the optimal solution. The algorithm is used to find a minimum time acceleration for a turbofan engine.

Teren, F.↗
NASA NTRS1988

Ignition characteristics of the iron-based alloy UNS S66286 in pressurized oxygen

The development of ignition and combustion in pressurized oxygen atmospheres was studied for the iron based alloy UNS S66286. Ignition of the alloy was achieved by heating the top surface of a cylindrical specimen with a continuous-wave CO2 laser. Two heating procedures were used. In the first, laser power was adjusted to maintain an approximately linear increase in surface temperature. In the second, laser power was periodically increased until autoheating (self-heating) was established. It was found that the alloy would autoheat to destruction from temperatures below the solidus temperature. In addition endothermic events occurred as the alloy was heated, many at reproducible temperatures. Many endothermic events occurred prior to abrupt increases in surface temperature and appeared to accelerate the rate of increase in specimen temperature to rates greater than what would be expected from increased temperature alone. It is suggested that the source of these endotherms may increase the oxidation rate of the alloy. Ignition parameters are defined and the temperatures at which these parameters occur are given for the oxygen pressure range of 1.72 to 13.8 MPa (25 to 2000 psia).

Bransford, James W.↗
NASA NTRS2017

A First-Principles Model Based on Saturation of the Electron Cyclotron Drift Instability for Electron Transport in Hydrodynamics Simulations of Hall Thruster Plasmas

We present a computational model based on the hypothesis that the higher-than-expected electron mobility across magnetic field lines observed in Hall thrusters is due to the growth and eventual saturation of the electron cyclotron drift instability. The key improvement of this model with respect to previous work is that it decouples the saturation of the instability from the correlation that exists between mobility and magnitude of the wave perturbations in linear theory, thereby enabling first-principles simulations. The model has been incorporated in the 2-D (r-z) multi-fluids code Hall2De and simulations of the H6 thruster at 300 V, 20 A are numerically stable and achieve a steady-state solution at a computational cost that is not significantly higher than previous Hall2De simulations. The computed location of the acceleration region is found to be within 10% of the length of the acceleration channel compared to that inferred by experiments. The simulations also capture well the plasma gradients along the channel centerline of this thruster. To further establish the validity of this model, we plan to conduct simulations of other thrusters and/or operating conditions.

Lopez Ortega, Alejandro↗
DOE OSTI2021

Efficient Automated Driving Strategies Leveraging Anticipation and Optimal Control

Automated vehicles and advanced driver assistance systems bring computation, sensing, and communication technologies that exceed human abilities in some ways. For example, automated vehicles may sense a panorama all at once, do not suffer from human impairments and distractions, and could wirelessly communicate precise data with neighboring vehicles. Prototype and commercial deployments have demonstrated the capability to relieve human operators of some driving tasks up to and including fully autonomous taxi rides in some areas. The ultimate impact of this technology’s large-scale market penetration on energy efficiency remains unclear, with potential negative factors like road use by empty vehicles competing with positive ones like automatic eco-driving. Fundamentally enabled by historic and look-ahead data, this dissertation addresses the use of automated driving and driver assistance to optimize vehicle motion for energy efficiency. Facets of this problem include car following, co-optimized acceleration and lane change planning, and collaborative multi-agent guidance. Optimal control, especially model predictive control, is used extensively to improve energy efficiency while maintaining safe and timely driving via constraints. Techniques including chance constraints and mixed integer programming help overcome uncertainty and non-convexity challenges. Extensions of these techniques to tractor trailers on sloping roads are provided by making use of linear parameter-varying models. To approach the wheel-input energy eco-driving problem over generally shaped sloping roads with the computational potential for closed-loop implementation, a linear programming formulation is constructed. Distributed and collaborative techniques that enable connected and automated vehicles to accommodate their neighbors in traffic are also explored and compared to centralized control. Using simulations and vehicle-in-the-loop car following experiments, the proposed algorithms are benchmarked against others that do not make use of look-ahead information.

Dollar, Robert Austin↗
DOE OSTI2024

Metal Independent Correlations for Site-specific Binding Energies of Relevant Catalytic Intermediates

Establishing energy correlations among different metals can accelerate the discovery of efficient and cost-effective catalysts for complex reactions. Using a recently introduced coordination-based model, we can predict site specific metal binding energies (∆EM) that can be used as a descriptor for chemical reactions. In this study, we have examined a range of metals including Ag, Au, Co, Cu, Ir, Ni, Os, Pd, Pt, Rh, and Ru and found linear correlations between predicted ∆EM and adsorption energies of CH and O (∆ECH and ∆EO) at various coordination environment for all the considered metals. Interestingly, all the metals correlate with one another under specific surface site coordination, indicating that different metals are interrelated in a particular coordination environment. Furthermore, we have tested and verified for PtPd and PtIr-based alloys that they follow a similar behavior. Moreover, we have expanded the metal space by taking some early transition metals along with few s-block metals and shown a cyclic behavior of the adsorbate binding energy (∆EA) versus ∆EM. Therefore, ∆ECH and ∆EO can be efficiently interpolated between metals, alloys and intermetallics based on information related to one metal only. This simplifies the process of screening new metal catalyst formulations and their reaction energies.

Density function theory↗
NASA NTRS1986

Predicted and measured strain response of rectangular panels due to acoustic loading

The objective of the research described in this paper is to assess the accuracy of classical linear acceleration/strain prediction theory for flat, rectangular panels excited by low level, acoustic plane waves. Predictions for both aluminum and laminated composite panels were based on the Ritz method using an orthotropic, multi-mode analysis with rotational springs on the boundaries. The measured natural frequencies and critical damping ratio of the panels were empirial inputs to the model. The comparison between measured and predicted acceleration was very good. Although a factor of three bias error was found between measured and predicted strains, the model was good for predicting the trends in the spatial variation in strain across the panel.

Roussos, L. A.↗
NASA NTRS1989

Computer simulations of cosmic-ray diffusion near supernova remnant shock waves

A plasma simulation model was used to study the resonant interactions between streaming cosmic-ray ions and a self-consistent spectrum of Alfven waves, such as might exist in the interstellar medium upstream of a supernova remnant shock wave. The computational model is a hybrid one, in which the background interstellar medium is an MHD fluid and the cosmic-rays are discrete kinetic particles. The particle sources for the electromagnetic fields are obtained by averaging over the fast cyclotron motions. When the perturbed magnetic field is larger than 10 percent of the background field, the macro- and microphysics are no longer correctly predicted by quasi-linear theory. The particles are trapped by the waves and show sharp jumps in their pitch-angles relative to the background magnetic field, and the effective ninety-degree scattering time for diffusion parallel to the background magnetic field is reduced to between 5 and 30 cyclotron periods. Simulation results suggest that Type 1 supernova remnants may be the principal sites of cosmic ray acceleration.

Max, C. E.↗
NASA NTRS1992

Propulsion system performance resulting from an Integrated Flight/Propulsion Control design

Propulsion system specific results are presented from the application of the Integrated Methodology for Propulsion and Airframe Control (IMPAC) design approach to Integrated Flight/Propulsion Control design for a STOVL aircraft in transition flight. The IMPAC method is briefly discussed and the propulsion system specifications for the integrated control design are examined. The structure of a linear engine controller that results from partitioning a linear centralized controller is discussed. The details of a nonlinear propulsion control system are presented, including a scheme to protect the engine operational limits: the fan surge margin and the acceleration/deceleration schedule which limits the fuel flow. Also, a simple but effective multivariable integrator windup protection scheme is investigated. Nonlinear closed-loop simulation results are presented for two typical pilot commands for transition flight: acceleration while maintaining flight path angle and a change in flight path angle while maintaining airspeed. The simulation nonlinearities include the airframe/engine coupling, the actuator and sensor dynamics and limits, the protection scheme for the engine operational limits, and the integrator windup protection. Satisfactory performance of the total airframe plus engine system for transition flight, as defined by the specifications, is maintained during the limit operation of the closed-loop engine subsystem.

Mattern, Duane↗
NASA NTRS1992

Propulsion system performance resulting from an integrated flight/propulsion control design

Propulsion-system-specific results are presented from the application of the integrated methodology for propulsion and airframe control (IMPAC) design approach to integrated flight/propulsion control design for a 'short takeoff and vertical landing' (STOVL) aircraft in transition flight. The IMPAC method is briefly discussed and the propulsion system specifications for the integrated control design are examined. The structure of a linear engine controller that results from partitioning a linear centralized controller is discussed. The details of a nonlinear propulsion control system are presented, including a scheme to protect the engine operational limits: the fan surge margin and the acceleration/deceleration schedule that limits the fuel flow. Also, a simple but effective multivariable integrator windup protection scheme is examined. Nonlinear closed-loop simulation results are presented for two typical pilot commands for transition flight: acceleration while maintaining flightpath angle and a change in flightpath angle while maintaining airspeed. The simulation nonlinearities include the airframe/engine coupling, the actuator and sensor dynamics and limits, the protection scheme for the engine operational limits, and the integrator windup protection. Satisfactory performance of the total airframe plus engine system for transition flight, as defined by the specifications, was maintained during the limit operation of the closed-loop engine subsystem.

Mattern, Duane↗
DOE OSTI2025

Analysis methodology of coherent oscillations in time- and angle-resolved photoemission spectroscopy

Oscillatory signals from coherently excited phonons are regularly observed in ultrafast pump–probe experiments on condensed matter samples. Electron–phonon coupling implies that coherent phonons also modulate the electronic band structure. These oscillations can be probed with energy and momentum resolution using time- and angle-resolved photoemission spectroscopy (trARPES), which reveals the orbital dependence of the electron–phonon coupling for a specific phonon mode. However, a comprehensive analysis remains challenging when multiple coherent phonon modes couple to multiple electronic bands. Complex spectral line shapes due to strong correlations in quantum materials add to this challenge. In this work, we examine how the frequency domain representation of trARPES data facilitates a quantitative analysis of coherent oscillations of the electronic bands. Here, we investigate the frequency domain representation of the photoemission intensity and the first moment of the energy distribution curves. Both quantities provide complementary information and are able to distinguish oscillations of binding energy, linewidth, and intensity. We analyze a representative trARPES dataset of the transition metal dichalcogenide WTe 2 and construct composite spectra, which intuitively illustrate how much each electronic band is affected by a specific phonon mode. We also show how a linearly chirped probe pulse can generate extrinsic artifacts that are distinct from the intrinsic coherent phonon signal.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Real-Time Interactive 4D-STEM Phase-Contrast Imaging From Electron Event Representation Data: Less computation with the right representation

The arrival of direct electron detectors (DED) with high frame-rates in the field of scanning transmission electron microscopy has enabled many experimental techniques that require collection of a full diffraction pattern at each scan position, a field which is subsumed under the name four dimensional-scanning transmission electron microscopy (4D-STEM). DED frame rates approaching 100 kHz require data transmission rates and data storage capabilities that exceed commonly available computing infrastructure. Current commercial DEDs allow the user to make compromises in pixel bit depth, detector binning or windowing to reduce the per-frame file size and allow higher frame rates. This change in detector specifications requires decisions to be made before data acquisition that may reduce or lose information that could have been advantageous during data analysis. The 4D Camera, a DED with 87 kHz frame-rate developed at Lawrence Berkeley National Laboratory, reduces the raw data to a linear-index encoded electron event representation (EER). Here we show with experimental data from the 4D Camera that linear-index encoded EER and its direct use in 4D-STEM phase contrast imaging methods enables real-time, interactive phase-contrast from large-area 4D-STEM datasets. Furthermore, we detail the computational complexity advantages of the EER and the necessary computational steps to achieve real-time interactive ptychography and center-of-mass differential phase contrast using commonly available hardware accelerators.

4D-STEM↗
DOE OSTI2023

Resonance Island Jump theory for the HSR

The Resonance Island Jump (RIJ) scheme for transition crossing in HSR (or the CERN SPS [1, 2]) is radically new, and untested. Beam experiments in RHIC will be necessary if the RIJ scheme is to be considered as a serious alternative to upgrading the first order linear jump scheme currently implemented in RHIC [3]. This note outlines the planning and the theoretical foundations that are necessary for such a beam experiment, perhaps to be performed in 2024.

43 PARTICLE ACCELERATORS↗