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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

The 1.4 GHz Light Curve of GRB 970508

We report on Westerbork 1.4 GHz radio observations of the radio counterpart to gamma-ray burst GRB 970508 between 0.80 and 138 days after this event. The 1.4 GHz light curve shows a transition from optically thick to thin emission between 39 and 54 days after the event We derive the slope p of the spectrum of injected electrons (dN/dgamma(sub e) proportional to gamma(sup -p, sub e) in two independent ways which yield values very close to p = 2.2. This is in agreement with a relativistic dynamically near-adiabatic blast wave model whose emission is dominated by synchrotrons radiation and in which a significant fraction of The electrons cool fast.

Galama, T.↗
NASA NTRS1998

Reduction and Analysis of Phosphor Thermography Data With the IHEAT Software Package

Detailed aeroheating information is critical to the successful design of a thermal protection system (TPS) for an aerospace vehicle. This report describes NASA Langley Research Center's (LaRC) two-color relative-intensity phosphor thermography method and the IHEAT software package which is used for the efficient data reduction and analysis of the phosphor image data. Development of theory is provided for a new weighted two-color relative-intensity fluorescence theory for quantitatively determining surface temperatures on hypersonic wind tunnel models; an improved application of the one-dimensional conduction theory for use in determining global heating mappings; and extrapolation of wind tunnel data to flight surface temperatures. The phosphor methodology at LaRC is presented including descriptions of phosphor model fabrication, test facilities and phosphor video acquisition systems. A discussion of the calibration procedures, data reduction and data analysis is given. Estimates of the total uncertainties (with a 95% confidence level) associated with the phosphor technique are shown to be approximately 8 to 10 percent in the Langley's 31-Inch Mach 10 Tunnel and 7 to 10 percent in the 20-Inch Mach 6 Tunnel. A comparison with thin-film measurements using two-inch radius hemispheres shows the phosphor data to be within 7 percent of thin-film measurements and to agree even better with predictions via a LATCH computational fluid dynamics solution (CFD). Good agreement between phosphor data and LAURA CFD computations on the forebody of a vertical takeoff/vertical lander configuration at four angles of attack is also shown. In addition, a comparison is given between Mach 6 phosphor data and laminar and turbulent solutions generated using the LAURA, GASP and LATCH CFD codes. Finally, the extrapolation method developed in this report is applied to the X-34 configuration with good agreement between the phosphor extrapolation and LAURA flight surface temperature predictions. The phosphor process outlined in the paper is believed to provide the aerothermodynamic community with a valuable capability for rapidly obtaining (4 to 5 weeks) detailed heating information needed in TPS design.

Merski, N. Ronald↗
NASA NTRS2014

Coupled Fluid-Structure Interaction Analysis of Solid Rocket Motor with Flexible Inhibitors

Flexible inhibitors are generally used in solid rocket motors (SRMs) as a means to control the burning of propellant. Vortices generated by the flow of propellant around the flexible inhibitors have been identified as a driving source of instabilities that can lead to thrust oscillations in launch vehicles. Potential coupling between the SRM thrust oscillations and structural vibration modes is an important risk factor in launch vehicle design. As a means to predict and better understand these phenomena, a multidisciplinary simulation capability that couples the NASA production CFD code, Loci/CHEM, with CFDRC's structural finite element code, CoBi, has been developed. This capability is crucial to the development of NASA's new space launch system (SLS). This paper summarizes the efforts in applying the coupled software to demonstrate and investigate fluid-structure interaction (FSI) phenomena between pressure waves and flexible inhibitors inside reusable solid rocket motors (RSRMs). The features of the fluid and structural solvers are described in detail, and the coupling methodology and interfacial continuity requirements are then presented in a general Eulerian-Lagrangian framework. The simulations presented herein utilize production level CFD with hybrid RANS/LES turbulence modeling and grid resolution in excess of 80 million cells. The fluid domain in the SRM is discretized using a general mixed polyhedral unstructured mesh, while full 3D shell elements are utilized in the structural domain for the flexible inhibitors. Verifications against analytical solutions for a structural model under a steady uniform pressure condition and under dynamic modal analysis show excellent agreement in terms of displacement distribution and eigenmode frequencies. The preliminary coupled results indicate that due to acoustic coupling, the dynamics of one of the more flexible inhibitors shift from its first modal frequency to the first acoustic frequency of the solid rocket motor. This insight could have profound implications for SRM and flexible inhibitor designs for current and future launch vehicles including SLS.

Yang, H. Q.↗
NASA NTRS2016

Effect of AFT Rotor on the Inter-Rotor Flow of an Open Rotor Propulsion System

The effects of the aft rotor on the inter-rotor flow field of an open rotor propulsion rig were examined. A Particle Image Velocimetry (PIV) dataset that was acquired phase locked to the front rotor position has been phase averaged based on the relative phase angle between the forward and aft rotors. The aft rotor phase was determined by feature tracking in raw PIV images through an image processing algorithm. The effect of the aft rotor potential field on the inter-rotor flow were analyzed and shown to be in good agreement with Computational Fluid Dynamics (CFD) simulations. It was shown that the aft rotor had no substantial effect on the position of the forward rotor tip vortex but did have a small effect on the circulation strength of the vortex when the rotors were highly loaded.

Counter Rotating↗
NASA NTRS2016

Effect of Aft Rotor on the Inter-Rotor Flow of an Open Rotor Propulsion System

The effects of the aft rotor on the inter-rotor flow field of an open rotor propulsion rig were examined. A Particle Image Velocimetry (PIV) dataset that was acquired phase locked to the front rotor position has been phase averaged based on the relative phase angle between the forward and aft rotors. The aft rotor phase was determined by feature tracking in raw PIV images through an image processing algorithm. The effects of the aft rotor potential field on the inter-rotor flow were analyzed and shown to be in reasonably good agreement with Computational Fluid Dynamics (CFD) simulations. The aft rotor position was shown to have a significant upstream effect, with implications for front rotor interaction noise. It was found that the aft rotor had no substantial effect on the position of the forward rotor tip vortex but did have a small effect on the circulation strength of the vortex when the rotors were highly loaded.

Counter Rotating↗
NASA NTRSDate not supplied

Predicting Melt Properties Using Atomistic Simulations With A Highly Accurate Physically Informed Neural Network Interatomic Potential

The use of a recently developed machine learning (ML) interatomic potential for molecular dynamics simulations of aluminum melt properties will be presented. Such properties are critical for process modeling in additive manufacturing, including the melt pool size, solidification, and formation of solidification microstructures. Direct first-principles modeling of these processes is computationally prohibitive whereas simulations employing ML potentials combine the high accuracy of quantum-mechanical methods with high computational speeds. The physically-informed neural network (PINN) method used herein, integrates a high-dimensional regression implemented by an artificial neural network with a physics-based bond-order interatomic potential. PINN potentials can accurately reproduce many properties of aluminum in both crystalline-solid and liquid phases. We examine the accuracy of a PINN Al potential in predicting the density, self-diffusivity, viscosity, and the tension of the liquid surface and liquid-solid interfaces. Comparison with experimental data and ab initio molecular dynamics calculations shows very good agreement for all properties tested.

molecular dynamics↗
NASA NTRS2005

Measurement and Prediction of the Thermomechanical Response of Shape Memory Alloy Hybrid Composite Beams

Previous work at NASA Langley Research Center (LaRC) involved fabrication and testing of composite beams with embedded, pre-strained shape memory alloy (SMA) ribbons within the beam structures. That study also provided comparison of experimental results with numerical predictions from a research code making use of a new thermoelastic model for shape memory alloy hybrid composite (SMAHC) structures. The previous work showed qualitative validation of the numerical model. However, deficiencies in the experimental-numerical correlation were noted and hypotheses for the discrepancies were given for further investigation. The goal of this work is to refine the experimental measurement and numerical modeling approaches in order to better understand the discrepancies, improve the correlation between prediction and measurement, and provide rigorous quantitative validation of the numerical analysis/design tool. The experimental investigation is refined by a more thorough test procedure and incorporation of higher fidelity measurements such as infrared thermography and projection moire interferometry. The numerical results are produced by a recently commercialized version of the constitutive model as implemented in ABAQUS and are refined by incorporation of additional measured parameters such as geometric imperfection. Thermal buckling, post-buckling, and random responses to thermal and inertial (base acceleration) loads are studied. The results demonstrate the effectiveness of SMAHC structures in controlling static and dynamic responses by adaptive stiffening. Excellent agreement is achieved between the predicted and measured results of the static and dynamic thermomechanical response, thereby providing quantitative validation of the numerical tool.

Davis, Brian↗
NASA NTRS2011

Characterization of Axial Inducer Cavitation Instabilities via High Speed Video Recordings

Sub-scale water tests were undertaken to assess the viability of utilizing high resolution, high frame-rate digital video recordings of a liquid rocket engine turbopump axial inducer to characterize cavitation instabilities. These high speed video (HSV) images of various cavitation phenomena, including higher order cavitation, rotating cavitation, alternating blade cavitation, and asymmetric cavitation, as well as non-cavitating flows for comparison, were recorded from various orientations through an acrylic tunnel using one and two cameras at digital recording rates ranging from 6,000 to 15,700 frames per second. The physical characteristics of these cavitation forms, including the mechanisms that define the cavitation frequency, were identified. Additionally, these images showed how the cavitation forms changed and transitioned from one type (tip vortex) to another (sheet cavitation) as the inducer boundary conditions (inlet pressures) were changed. Image processing techniques were developed which tracked the formation and collapse of cavitating fluid in a specified target area, both in the temporal and frequency domains, in order to characterize the cavitation instability frequency. The accuracy of the analysis techniques was found to be very dependent on target size for higher order cavitation, but much less so for the other phenomena. Tunnel-mounted piezoelectric, dynamic pressure transducers were present throughout these tests and were used as references in correlating the results obtained by image processing. Results showed good agreement between image processing and dynamic pressure spectral data. The test set-up, test program, and test results including H-Q and suction performance, dynamic environment and cavitation characterization, and image processing techniques and results will be discussed.

Arellano, Patrick↗
DOE OSTI2024

Full‐dimensional coupled‐channel statistical approach to atom‐triatom systems and applications to H/D + O 3 reaction

Abstract The statistical quantum model (SQM), which assumes that the reactivity is controlled by entrance/exit channel quantum capture probabilities, is well suited for chemical reactions with a long‐lived intermediate complex. In this work, a time‐independent coupled‐channel implementation of the SQM approach is developed for atom‐triatom systems in full dimensionality. As SQM treats the capture dynamics quantum mechanically, it is capable of handling quantum effects such as tunneling. A detailed study of the H/D + O 3 capture dynamics was performed by applying the newly developed SQM method on an accurate global potential energy surface. Agreement with previous ring polymer molecular dynamics (RPMD) results on the same potential energy surface is excellent except for very low temperatures. The SQM results are also in reasonably good agreement with available experimental rate coefficients. The strong H/D kinetic isotope effect underscores the dominant role of quantum tunneling under an entrance channel barrier at low temperatures.

Yang, Dongzheng↗
NASA NTRS2001

Semi-Classical Models for Virtual Antiparticle Pairs

Virtual particle-antiparticle pairs of massive elementary particle& are predicted in Quantum Field Theory (QFT) to appear from the vacuum and annihilate each other again within their Heisenberg lifetimes h/4mc(exp 2). In this work, semiclassical models of this process - for the cases of massive leptons, quarks, and the massive weak bosons W and Z - are constructed. It is shown that the dynamical lifetime of the particle- antiparticle system in each case equals the Heisenberg lifetime to good approximation, and obeys appropriate quantization conditions on the field fluctuation action. In other words, the dynamical lifetime of the semiclassical model agrees with QED and QCD to good approximation. But the formula for the dynamical lifetime in each model includes the force strength coupling constant (e in the lepton case, alpha(sup s) (q(exp 2)) in the quark cases), while the Heisenberg lifetime formula does not. Observing the agreement of the Heisenberg and dynamical lifetimes, we may derive the QED and QCD coupling constants in terms of h, c, and numerical factors only.

Batchelor, David↗
NASA NTRS1986

Statistical approach to cubic Langmuir turbulence

Previous work on the cubic direct interaction approximation applied to the truncated (in Fourier space) cubically nonlinear Schroedinger equation model of Langmuir turbulence is extended to more modes. In the undriven, undamped case, excellent agreement between the statistical theory and a numerical ensemble of solutions of the dynamic equations is obtained. In the driven, damped case, satisfactory agreement is obtained provided the dynamic ensemble is limited to initial conditions in the basin of attraction.

Sun, G.-Z.↗
NASA NTRS1978

An ultrasonic flowmeter for measuring dynamic liquid flow

A novel oscillating pipe system was developed to provide dynamic calibration wherein small sinusoidal signals with amplitudes of 0.5 to 10% of the steady-state flow were added to the steady-state flow by oscillating the flowmeter relative to the fixed pipes in the flow system. Excellent agreement was obtained between the dynamic velocities derived from an accelerometer mounted on the oscillating pipe system and those sensed by the flowmeter at frequencies of 7, 19, and 30 Hz. Also described were the signal processing techniques used to retrieve the small sinusoidal signals which were obscured by the fluid turbulence.

Carpini, T. D.↗
DOE OSTI2026

Scientific Data Compression for Large Scale Computational Fluid Dynamics (CFD) Simulations

This Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and General Electric (GE) investigated methods for reducing the size of large computational fluid dynamics (CFD) simulation datasets using scientific data compression techniques. The work focused on adapting the MultiGrid Adaptive Reduction of Data (MGARD) compression framework and integrating it with high-performance I/O and visualization tools used in CFD workflows. MGARD uses hierarchical multilevel decomposition to enable error-controlled compression of floating-point scientific data while preserving quantities of interest. During the project, MGARD compression was integrated with the ADIOS I/O framework and visualization tools such as ParaView to enable efficient storage, transfer, and analysis of simulation data. The collaboration also explored approaches for improving compression performance for CFD data defined on unstructured meshes. Results demonstrate that scientific data compression can significantly reduce storage requirements and improve data management for large-scale CFD simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Dynamic Subgrid Turbulence Modeling for Shallow Cumulus Convection Simulations beyond LES Resolutions

A scale-dependent dynamic Smagorinsky model is implemented in the Met Office/NERC Cloud (MONC) model using two averaging flavors, along Lagrangian pathlines and local moving averages. The dynamic approaches were compared against the conventional Smagorinsky–Lilly scheme in simulating the diurnal cycle of shallow cumulus convection. The simulations spanned from the LES to the near-gray-zone and gray-zone resolutions and revealed the adaptability of the dynamic model across the scales and different stability regimes. The dynamic model can produce a scale- and stability-dependent profile of the subfilter turbulence length scale across the chosen resolution range. At gray-zone resolutions the adaptive length scales can better represent the early precloud boundary layer leading to temperature and moisture profiles closer to the LES compared to the standard Smagorinsky. As a result, the initialization and general representation of the cloud field in the dynamic model is in good agreement with the LES. In contrast, the standard Smagorinsky produces a less well-mixed boundary layer, which fails to ventilate moisture from the boundary layer, resulting in the delayed spinup of the cloud layer. Moreover, strong downgradient diffusion controls the turbulent transport of scalars in the cloud layer. However, the dynamic approaches rely on the resolved field to account for nonlocal transports, leading to overenergetic structures when the boundary layer is fully developed and the Lagrangian model is used. Introducing the local averaging version of the model or adopting a new Lagrangian time scale provides stronger dissipation without significantly affecting model behavior.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

17 O NMR Spectroscopy Reveals CO 2 Speciation and Dynamics in Hydroxide-Based Carbon Capture Materials

Carbon dioxide capture technologies are set to play a vital role in mitigating the current climate crisis. Solid-state 17 O NMR spectroscopy can provide key mechanistic insights that are crucial to effective sorbent development. In this work, we present the fundamental aspects and complexities for the study of hydroxide-based CO 2 capture systems by 17 O NMR. We perform static density functional theory (DFT) NMR calculations to assign peaks for general hydroxide CO 2 capture products, finding that 17 O NMR can readily distinguish bicarbonate, carbonate and water species. However, in application to CO 2 binding in two test case hydroxide-functionalised metal-organic frameworks (MOFs) – MFU-4l and KHCO 3 -cyclodextrin-MOF, we find that a dynamic treatment is necessary to obtain agreement between computational and experimental spectra. We therefore introduce a workflow that leverages machine-learning force fields to capture dynamics across multiple chemical exchange regimes, providing a significant improvement on static DFT predictions. In MFU-4l, we parameterise a two-component dynamic motion of the bicarbonate motif involving a rapid carbonyl seesaw motion and intermediate hydroxyl proton hopping. For KHCO 3 -CD-MOF, we combined experimental and modelling approaches to propose a new mixed carbonate-bicarbonate binding mechanism and thus, we open new avenues for the study and modelling of hydroxide-based CO 2 capture materials by 17 O NMR.

NMR spectroscopy↗
DOE OSTI2022

Ultrasonic Elastography for Nondestructive Evaluation of Dissimilar Material Joints

Dissimilar material joints or multilayered metals have become inevitable in the manufacturing industry due to the increasing demand for multifunctional materials with variable mechanical, thermal, or electrical characteristics in a single assembly. Lattice mismatch of materials at the interface of dissimilar materials leads to inferior mechanical characteristics. In particular, the mismatch in elastic properties indicated by a large initial elastic deformation is critical to determine the extent of variation in stress. However, nanoindentation, the most common and accepted technique to measure elastic modulus, is destructive, time-consuming, and can only examine mechanical properties within a limited area. A non-invasive elastographic mapping technique evaluates the mechanical properties using ultrasonic elastography to study incompressibility. The dissimilar joint between steel and copper was obtained via friction stir welding. The variation of the stress developed at the welded joint of the two different metals was evaluated from the dynamic bulk modulus map. A tensile test of the involved workpiece confirmed a good agreement with our analysis based on the dynamic bulk modulus elastographic mapping results. This study provides a rapid and non-invasive technique for the bulk metallurgic elastic modulus inspection to overcome the limitations of conventional methods.

Jin, Yuqi↗
DOE OSTI2021

Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane

Ab Initio Multiple Spawning (AIMS) simulates the excited-state dynamics of molecular systems by representing nuclear wavepackets in a basis of coupled traveling Gaussian functions, called trajectory basis functions (TBFs). New TBFs are spawned when nuclear wavepackets enter regions of strong nonadiabaticity, permitting the description of non-Born–Oppenheimer processes. The spawning algorithm is simultaneously the blessing and the curse of the AIMS method: it allows for an accurate description of the transfer of nuclear amplitude between different electronic states, but it also dramatically increases the computational cost of the AIMS dynamics as all TBFs are coupled. Recently, a strategy coined stochastic-selection AIMS (SSAIMS) was devised to limit the ever-growing number of TBFs and tested on simple molecules. In this work, we use the photodynamics of three different molecules—cyclopropanone, fulvene, and 1,2-dithiane—to investigate (i) the potential of SSAIMS to reproduce reference AIMS results for challenging nonadiabatic dynamics, (ii) the compromise achieved by SSAIMS in obtaining accurate results while using the smallest average number of TBFs as possible, and (iii) the performance of SSAIMS in comparison to the mixed quantum/classical method trajectory surface hopping (TSH)—both in terms of its accuracy and computational cost. We show that SSAIMS can accurately reproduce the AIMS results for the three molecules considered at a much cheaper computational cost, often close to that of TSH. We deduce from these tests that an overlap-based criterion for the stochastic-selection process leads to the best agreement with the reference AIMS dynamics for the smallest average number of TBFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory

Herein, we present the first implementation of multiconfiguration pair-density functional theory (MC-PDFT) ab initio molecular dynamics. MC-PDFT is a multireference electronic structure method that in many cases has a similar accuracy (or even better accuracy) the complete active space second-order perturbation theory (CASPT2) at a significantly lower computational cost. In this study, we introduced MC-PDFT analytical gradients into the SHARC molecular dynamics program for ab initio, nonadiabatic molecular dynamics simulations. We verify our implementation by examining the intersystem crossing dynamics of thioformaldehyde, and we observe excellent agreement with recent CASPT2 and experimental findings. Moreover, with MC-PDFT, we could perform dynamics simulations with the 12 electron in 10 orbitals active space that was computationally too expensive for direct dynamics with CASPT2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗