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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Electronic Excitation‐Driven β‐Ga 2 O 3 Metastability Transformation and Self‐Organization Mechanism: β→κ/γ/δ Phases

Here, irradiation-driven multiphase self-organization presents emergent opportunities for the customization of nanoscale engineering properties, dynamically tuning strain-field distributions and interfacial electronic structures. Responding to intense electronic excitation-induced energy deposition, the dominant phase transformations, with varying Gibbs free energy $Δ,G^o_f$ are confirmed as β → κ → γ → δ that are located in specific microregions for Gallium (III) oxide (Ga 2 O 3 ), as follows: (i) Surface-localized interstitial accumulation under compressive stress triggers β → δ via semi-coherent interface formation. (ii) Tensile stress within latent tracks drives vacancy-mediated oxygen layer truncation (4/12 periodicity along ⟨0001⟩), stabilizing coherent 4H (ABCB) κ and 3C (ABC) β (ABC) interfaces through strain-compensated octahedral distortion. (iii) Screw dislocation-mediated lattice relaxation induces β → γ via cation disordering (Ga 3+ occupancy at β-interstitial sites), forming metastable spinel γ with mixed occupancy across 16d/8a Wyckoff sites. Irradiation-driven β-Ga 2 O 3 →κ/γ/δ transitions, as mechanistically revealed via inelastic thermal spike (i-TS) calculations and molecular dynamics simulations, induce defect-mediated nonlinear photoresponse, critical for optoelectronic engineering.

Han, Xinqing [Shandong Univ., Jinan (China)]↗
DOE OSTI2023

Determining Stress in Metallic Conducting Layers of Microelectronics Devices Using High Resolution Electron Backscatter Diffraction and Finite Element Analysis

Delayed failure due to stress voiding is a concern with some aging microelectronics, as these voids can grow large enough to cause an open circuit. Local measurements of stress in the metallic layers are crucial to understanding and predicting this failure, but such measurements are complicated by the fact that exposing the aluminum conducting lines will relieve most of their stress. In this study, we instead mechanically thin the device substrate and measure distortions on the thinned surface using high resolution electron backscatter diffraction (HREBSD). These measurements are then related to the stresses in the metallic layers through elastic simulations. This study found that in legacy components that had no obvious voids, the stresses were comparable to the theoretical stresses at the time of manufacture (≈300 MPa). Distortion fields in the substrate were also determined around known voids, which may be directly compared to stress voiding models. In conclusion, the technique presented here for stress determination, HREBSD coupled with finite element analysis to infer subsurface stresses, is a valuable tool for assessing failure in layered microelectronics devices.

HREBSD↗
DOE OSTI2022

Defect-induced electronic smectic state at the surface of nematic materials

Due to the intertwining between electronic nematic and elastic degrees of freedom, lattice defects and structural inhomogeneities commonly found in crystals can have a significant impact on the electronic properties of nematic materials. Here, we show that defects commonly present at the surface of crystals generally shift the wave-vector of the nematic instability to a non-zero value, resulting in an incommensurate electronic smectic phase. Such a smectic state onsets above the bulk nematic transition temperature and is localized near the surface of the sample. We argue that this effect may explain not only recent observations of a modulated nematic phase in iron-based superconductors, but also several previous puzzling experiments that reported signatures consistent with nematic order before the onset of a bulk structural distortion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Geometric Interpretation of the Cluster Location Problem Part I: Theory

We present a new framing of the seismic location problem using principles drawn from differential geometry. Our interpretation relies upon the common assumption that travel times observed across a network are continuous, differentiable functions of source location. In consequence, travel‐time functions constitute a differentiable map between the source region and a Riemannian manifold. The manifold is said to be the image of the source region embedded in a generally high‐dimension travel‐time vector space. A cluster of events in the source region has an image of discrete points on the manifold, that, except in the simplest cases, cannot be viewed directly. However, it is possible to project the image of a cluster into a tangent space of the manifold for direct visualization. The projection operator can be computed directly from the data without a velocity model, but produces a distorted rendering of the cluster geometry. With a model we can predict the distortions and correct them to estimate cluster geometry. We develop these points with the simplest possible example, one for which direct visualization of the manifold is possible, using the example as an introduction to the relevant concepts from differential geometry in a familiar setting. The tangent space, a local linearization of the manifold, plays a key role. We develop a metric to estimate the limits of linearization, that is, to determine when the curvature of the manifold invalidates the linear assumption. We also examine the interplay of model error, inadequate network geometry, and pick error. We then generalize our results from the simple case to the general case of 3D source regions observed by general networks. Although we do suggest a new “project and correct” method for location, we do not develop it into a practical algorithm. In conclusion, our intention rather is to highlight new analytical methods grounded in differential geometry.

East Pacific Ocean Islands↗
DOE OSTI2026

Machine Learning Vacancy Formation Energy in Nickel-Based Superalloys

Thermal vacancies play a critical role in high-temperature Ni-based superalloys and influence various properties such as creep resistance, oxidation, etc. This study systematically investigates the impact of commonly used transition metals (Cr, Co, Fe), refractory metals (Nb, Ta, Mo, W) and other elements (Al, Cu, Ti, Mn) on the thermodynamic stability of 36 binary, 20 ternary, 11 quaternary, 9 quinary, and 3 senary FCC Ni-based alloys covering various elemental combinations. Density functional theory-based studies on Ni-X binary alloys show that higher concentrations of Cr, Nb, Ta, Al, and Ti introduce significant lattice distortions and broaden the distribution of vacancy formation energies (standard deviation up to 0.15 eV). These elements partially donate electrons, reducing their self-consistent chemical potentials relative to single-element reference values and lowering vacancy formation energies, while Co, Fe, Mo, and W show lower charge localization. These trends extend from 3-6 element alloys, where Cr, Nb, and Ta-rich compositions have low-energy states (~0.5 eV) that increase vacancy concentrations. Finally, graph neural network models are developed to screen over 5000 virtual alloys. Eleven leading compositions are identified with mean vacancy formation energy higher than 1.75 eV and vacancy concentration ~2 orders of magnitude lower than pure Ni at 1000 K. These results provide valuable guidelines to achieve controlled defect engineering in structural alloys.

DFT↗
DOE OSTI2025

Pressure tuning of Kitaev spin liquid candidate Na$_3$Co$_2$SbO$_6$goo

The search for Kitaev's quantum spin liquid (KQSL) state in real materials has recently expanded with the prediction that honeycomb lattices of divalent, high-spin cobalt ions could host the dominant bond-dependent exchange interactions required to stabilize the elusive entangled quantum state. The layered honeycomb Na$_3$Co$_2$SbO$_6$ has been singled out as a leading candidate provided that the trigonal crystal field acting on Co $3d$ orbitals, which enhances non-Kitaev exchange interactions between $J_{\rm eff}=\frac{1}{2}$ spin-orbital pseudospins, is reduced. We find that applied pressure leads to anisotropic compression of the layered structure, significantly reducing the trigonal distortion of CoO$_6$ octahedra. A strong enhancement of ferromagnetic correlations between pseudospins is observed in the spin-polarized (3 Tesla) phase up to about 60 GPa. Higher pressures drive a spin transition into a low-spin state destroying the $J_{\rm eff}=\frac{1}{2}$ local moments required to map the spin Hamiltonian into Kitaev's model. The spin transition strongly suppresses the low-temperature magnetic susceptibility and appears to stabilize a paramagnetic phase driven by frustration. Although applied pressure fails to realize a KQSL state, the possible emergence of frustrated magnetism of localized, low-spin $S=\frac{1}{2}$ moments opens the door for exploration of novel magnetic quantum states in compressed honeycomb lattices of divalent cobaltates.

FOS: Physical sciences↗
NASA NTRS1986

Influence of airfoil mean loading on convected gust interaction noise

A theoretical model is developed for the noise generated when a convected vortical or entropic gust encounters an airfoil at nonzero angle of attack. The analysis is based on Rapid Distortion Theory. High frequency gusts, whose wavelengths are short compared to the airfoil chord, are considered. The noise generation is shown to be concentrated near the airfoil leading edge. The level of the generated noise is increased by airfoil mean loading, with the appropriate scaling parameter being the local leading edge incidence angle. The trailing edge simply scatters the leading edge sound field, and here the mean loading effects scale on the airfoil total lift. Calculations are presented which illustrate that, at high frequencies, moderate levels of airfoil steady loading can dramatically increase the noise produced by airfoil convected gust interactions.

Kerschen, E. J.↗
NASA NTRS1996

Linear Instability of a Uni-Directional Transversely Sheared Mean Flow

The effect of spanwise-periodic mean-flow distortions (i.e. streamwise-vortex structures) on the evolution of small-amplitude, single-frequency instability waves in an otherwise two-dimensional shear flow is investigated. The streamwise-vortex structures are taken to be just weak enough so that the spatially growing instability waves behave (locally) like linear perturbations about a uni-directional transversely sheared mean flow. Numerical solutions are computed and discussed for both the mean flow and the instability waves. The influence of the streamwise-vortex wavelength on the properties of the most rapidly growing instability wave is also discussed.

Wundrow, David W.↗
DOE OSTI2024

Comparison of Results between the Legacy and Refined RELAP5-3D Models of the High Temperature Test Facility in Exercises 1 and 2 of the HTTF Benchmark

Work conducted in FY23 identified that RELAP5-3D was capable of reproducing trends in HTTF data during experiment PG-27 but was incapable of reproducing measured values. The primary cause of this discrepancy between RELAP5-3D results and experimental data was hypothesized to be a distortion in power density that was introduced by the radial nodalization of the model. We further hypothesized that a new model would provide better results when compared to the experiments PG-27 and PG-29. Work this FY developed a new model that is better capable of capturing local heat generation rates and contains a representation of each 1/6 azimuthal sector of the core. We used this model to develop a new set of solutions to Exercises 1 and 2 of Problems 2 and 3 in the benchmark. In this report, we present the first comprehensive comparison of the results between the two models. We see that in Exercise 1A, which is common between problems 2 and 3, the results are similar, though the results from the new model show greater detail than those from the legacy model. In Problem 2 Exercise 1B and Problem 3 Exercise 1B, we see that heat removal is slower in the new model than the legacy model. Problem 3 Exercise 1C shows temperatures that are lower in most places in the new model than the legacy model, but the area with active heat generation has higher block temperatures in the new model than the legacy model. Problem 3 Exercise 1D further shows that long-term heat removal is lower in the new model. Problem 2 Exercise 1C demonstrated that the new model observes higher temperatures in the core regions than the legacy model, justifying the need to preserve the power density in HTTF. The validation of PG-27 and PG-29 also demonstrated the improved temperature agreement in the core regions, particularly with a calibrated model that implements an effective thermal conductivity for the core material. Overall, PG-27 models show reasonable to excellent agreement for steady-state temperatures and minimal to reasonable agreement for transients. PG-29 models showed minimal to insufficient agreement with the data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2002

Optimal Micro-Scale Secondary Flow Control for the Management of High Cycle Fatigue and Distortion in Compact Inlet Diffusers

The purpose of this study on micro-scale secondary flow control (MSFC) is to study the aerodynamic behavior of micro-vane effectors through their factor (i.e., the design variable) interactions and to demonstrate how these statistical interactions, when brought together in an optimal manner, determine design robustness. The term micro-scale indicates the vane effectors are small in comparison to the local boundary layer height. Robustness in this situation means that it is possible to design fixed MSFC robust installation (i.e.. open loop) which operates well over the range of mission variables and is only marginally different from adaptive (i.e., closed loop) installation design, which would require a control system. The inherent robustness of MSFC micro-vane effector installation designs comes about because of their natural aerodynamic characteristics and the manner in which these characteristics are brought together in an optimal manner through a structured Response Surface Methodology design process.

Anderson, Bernhard H.↗
DOE OSTI2024

Single-shot local measurement of terahertz correlated second harmonic generation in laser air plasma filaments

We present a single-shot detection method of terahertz correlated second harmonic generation in plasma-based sources by directly mixing an optical probe into femtosecond laser-induced plasma filaments in air. Furthermore, the single-shot second harmonic trace is obtained by measuring a second harmonic generation on a conventional CCD with a spatiotemporally distorted probe beam. The system shows a spectrometer resolution of 22 fs/pixel on the CCD and a true resolution on the order of the probe pulse duration. With considerable THz peak electric field strength, this formalism can open the door to single-shot THz detection without bandwidth limitations.

47 OTHER INSTRUMENTATION↗
NASA NTRS2011

Separating Direct and Indirect Turbofan Engine Combustion Noise While Estimating Post-Combustion (Post-Flame) Residence Time Using the Correlation Function

A previous investigation on the presence of direct and indirect combustion noise for a full-scale turbofan engine using a far-field microphone at 130 is extended by also examining signals obtained at two additional downstream directions using far-field microphones at 110 deg and 160 deg. A generalized cross-correlation function technique is used to study the change in propagation time to the far field of the combined direct and indirect combustion noise signal as a sequence of low-pass filters are applied. The filtering procedure used produces no phase distortion. As the low-pass filter frequency is decreased, the travel time increases because the relative amount of direct combustion noise is reduced. The indirect combustion noise signal travels more slowly because in the combustor entropy fluctuations move with the flow velocity, which is slow compared to the local speed of sound. The indirect combustion noise signal travels at acoustic velocities after reaching the turbine and being converted into an acoustic signal. The direct combustion noise is always propagating at acoustic velocities. The results show that the estimated indirect combustion noise time delay values (post-combustion residence times) measured at each angle are fairly consistent with one another for a relevant range of operating conditions and demonstrate source separation of a mixture of direct and indirect combustion noise. The results may lead to a better idea about the acoustics in the combustor and may help develop and validate improved reduced-order physics-based methods for predicting turbofan engine core noise.

Miles, Jeffrey Hilton↗
NASA NTRS1974

Effects of Mach number on pitot-probe displacement in a turbulent boundary layer

Experimental pitot-probe-displacement data have been obtained in a turbulent boundary layer at a local free-stream Mach number of 4.63 and unit Reynolds number of 6.46 million meter. The results of this study were compared with lower Mach number results of previous studies. It was found that small probes showed displacement only, whereas the larger probes showed not only displacement but also distortion of the shape of the boundary-layer profile. The distortion pattern occurred lower in the boundary layer at the higher Mach number than at the the lower Mach number. The maximum distortion occurred when the center of the probe was about one probe diameter off the test surface. For probes in the wall contact position, the indicated Mach numbers were, for all probes tested, close to the true profile. Pitot-probe displacement was found to increase significantly with increasing Mach number.

Allen, J. M.↗
NASA NTRS1978

Bar-driven spiral waves in disk galaxies

The response of rotating disks of gas to barlike perturbations in galactic gravitational fields is investigated. In particular, two-dimensional time-dependent numerical hydrodynamical calculations have been performed in order to determine the steady-state response of disks of gas to rotating barlike perturbations. Two types of barlike perturbations are considered: oval distortions in the axisymmetric gravitational field of the disk, and heterogeneous prolate spheroids. The calculations reveal that in the absence of gaseous self-gravity, a viscous differentially rotating disk of gas responds to a rotating barlike perturbation by forming a central gas bar with two trailing spiral waves. The local phase of the gas response is primarily a function of the number and spacing of the principal resonances in the disk. This result may be understood in terms of particle orbit theory. The gas response to barlike perturbations also depends on the relative strength and the effective axial ratio of the bar. In these calculations strong narrow bars produce offset shocks in the central gas bar. These shocks correspond in position to the long narrow dust lanes observed in many barred spiral galaxies.

Huntley, J. M.↗
DOE OSTI2023

Calibration of the ProtoDUNE Horizontal-Drift position reconstruction using a laser system

Forthcoming in the next decade of neutrino physics advancements is the construction of the Deep Underground Neutrino Experiment (DUNE), a long baseline neutrino oscillation experiment which has the potential to answer fundamental questions such as why there is more matter than antimatter in the universe, and ultimately why we exist at all. A prototype of this experiment, ProtoDUNE, sits in a charged particle test beam at the European Organization for Nuclear Research (CERN) and uses Liquid Argon time projection chambers to image interactions of these particles. ProtoDUNE Single-Phase (ProtoDUNESP) had positively charged hadrons as well as positrons in its initial 2018 beam data run. Because ProtoDUNE is a surface-based time projection chamber, it experiences a constant influx of cosmic rays. These cosmic rays ionize the liquid argon within the detector, resulting in an accumulation of slow moving positive ions towards the cathode. This local charge distribution results in electric field non uniformities, which can have a significant effect on the accuracy of the event reconstruction. This paper outlines a monte carlo simulation study which adapts methodology from the MicroBooNE experiment, another neutrino oscillation experiment, to derive electric field correction maps which can correct for distortions of the electric field within the detector. These correction maps accurately estimate the electric field throughout the detector volume and correct for uncertainties in reconstructed event data enabling for physics discoveries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1980

A three-dimensional turbulent compressible subsonic duct flow analysis for use with constructed coordinate systems

An approximate analysis, applicable to nonorthogonal coordinate systems having a curved centerline and planar transverse coordinate surfaces normal to the centerline, is presented for computation of three-dimensional subsonic flow in straight and curved diffusers. The formulation is intended to facilitate the use of constructed coordinates in circumstances where it is difficult to maintain smooth behavior in higher derivatives; the use of local Cartesian variables and fluxes leads to governing equations which require only first derivatives of the coordinate transformation. The analysis is applied to a particular family of duct and diffuser geometries having curved centerlines and superelliptic cross sections. Qualitative agreement with experimental measurements is observed with regard to streamwise vortices and distortion of the primary flow.

Levy, R.↗
NASA NTRS1984

Calculation of unsteady fan rotor response caused by downstream flow distortions

The present model for fan rotor/support strut airfoil interaction uses a time-marching code for the rotor flow, coupled with a potential flow model for the stator-strut region. Study of the effect of strut design variables indicates that rotor flow disturbance is increased by the primary variables of larger strut thickness and circumferential spacing, while decreasing exponentially with increased rotor-strut separation. The time-marching code predicts local rotor pressure and flow perturbations in response to an unsteady downstream boundary condition.

Obrien, W. F.↗