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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Low-Temperature Friction-Stir Welding of 2024 Aluminum

Solid state friction-stir welding (FSW) has been demonstrated to involve dynamic recrystallization producing ultra-fine, equiaxed grain structures to facilitate superplastic deformation as the welding or joining mechanism. However, the average residual, equiaxed, grain size in the weld zone has ranged from roughly 0.5 micron to slightly more than 10 micron, and the larger weld zone grain sizes have been characterized as residual or static grain growth as a consequence of the temperatures in the weld zone (where center-line temperatures in the FSW of 6061 Al have been shown to be as high as 480C or -0.8 T(sub M) where T(sub M) is the absolute melting temperature)). In addition, the average residual weld zone grain size has been observed to increase near the top of the weld, and to decrease with distance on either side of the weld-zone centerline, an d this corresponds roughly to temperature variations within the weld zone. The residual grain size also generally decreases with decreasing FSW tool rotation speed. These observations are consistent with the general rules for recrystallization where the recrystallized grain size decreases with increasing strain (or deformation) at constant strain rate, or with increasing strain-rate, or with increasing strain rate at constant strain; especially at lower ambient temperatures, (or annealing temperatures). Since the recrystallization temperature also decreases with increasing strain rate, the FSW process is somewhat complicated because the ambient temperature, the frictional heating fraction, and the adiabatic heating fraction )proportional to the product of strain and strain-rate) will all influence both the recrystallization and growth within the FSW zone. Significantly reducing the ambient temperature of the base metal or work pieces to be welded would be expected to reduce the residual weld-zone grain size. The practical consequences of this temperature reduction would be the achievement of low temperature welding. This study compares the residual grain sizes and microstructures in 2024 Al friction-stir welded at room temperature (about 30C and low temperature (-30C).

Benavides, S.↗
NASA NTRS2013

ADR salt pill design and crystal growth process for hydrated magnetic salts

A process is provided for producing a salt pill for use in very low temperature adiabatic demagnetization refrigerators (ADRs). The method can include providing a thermal bus in a housing. The thermal bus can include an array of thermally conductive metal conductors. A hydrated salt can be grown on the array of thermally conductive metal conductors. Thermal conductance can be provided to the hydrated salt.

Shirron, Peter J.↗
DOE OSTI2019

Phonon-Mediated Ultrafast Hole Transfer from Photoexcited CdSe Quantum Dots to Black Dye

We have applied non-adiabatic molecular dynamics (NAMD) and Fewest Switching surface hopping (FSSH) method to simulate the energy dissipation and charge transfer processes in the CdSe quantum dot (QD) functionalized by the Black dye. Our calculations reveal ultrafast hole transfer from the photoexcited QD to the dye, despite a significant energy splitting between QD’s and dye’s occupied states. The mechanism of such ultrafast QD-to-dye hole transfer is rationalized by strong non-adiabatic couplings between the delocalized surface orbitals of the QD and the high-frequency vibrations of isothiocyanate ligands of the Black dye. Here, this mechanism is also confirmed by a very rapid lose of coherency of the excitation due to strong electronic couplings with vibrational modes of the dye.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1961

Numerical Solutions for Supersonic Flow of an Ideal Gas Around Blunt Two-Dimensional Bodies

The method described is an inverse one; the shock shape is chosen and the solution proceeds downstream to a body. Bodies blunter than circular cylinders are readily accessible, and any adiabatic index can be chosen. The lower limit to the free-stream Mach number available in any case is determined by the extent of the subsonic field, which in turn depends upon the body shape. Some discussion of the stability of the numerical processes is given. A set of solutions for flows about circular cylinders at several Mach numbers and several values of the adiabatic index is included.

Fuller, Franklyn B.↗
NASA NTRS2020

Analysis of the Honeywell Uncertified Research Engine with Ice Crystal Cloud Ingestion at Simulated Altitudes

The Honeywell Uncertified Research Engine (HURE), a research version of a turbofan engine that never entered production, was tested in the NASA Propulsion System Laboratory (PSL), an altitude test facility at the NASA Glenn Research Center. The PSL is a facility that is equipped with water spray bars capable of producing an ice cloud consisting of ice particles, having a controlled particle diameter and concentration in the air flow. To develop the test matrix of the HURE, numerical analysis of flow and ice particle thermodynamics was performed on the compression system of the turbofan engine to predict operating conditions that could potentially result in a risk of ice accretion due to ice crystal ingestion. The goal of the test matrix was to provide operating conditions such that ice would accrete in either the fan-stator through the inlet guide vane region of the compression system or within the first stator of the high pressure compressor. The predictive analyses were performed with the mean line compressor flow modeling code (COMDESMELT) which includes an ice particle model. The HURE engine was tested in PSL with the ice cloud over the range of operating conditions of altitude, ambient temperature, simulated flight Mach number, and fan speed with guidance from the analytical predictions. The engine was fitted with video cameras at strategic locations within the engine compression system flow path where ice was predicted to accrete, in order to visually confirm ice accretion when it occurred. In addition, traditional compressor instrumentation such as total pressure and temperature probes, static pressure taps, and metal temperature thermocouples were installed in targeted areas where the risk of ice accretion was expected. The current research focuses on the analysis of the data that was obtained after testing the HURE engine in PSL with ice crystal ingestion. The computational method (COMDES-MELT) was enhanced by computing key parameters through the fan-stator at multiple span wise locations, in order to increase the fidelity with the current mean-line method. The Icing Wedge static wet-bulb temperature thresholds were applied for determining the risk of ice accretion in the fan-stator, which is thought to be an adiabatic region. At some operating conditions near the splitter-lip region, other sources of heat (non-adiabatic walls) were suspected to be the cause of accretion, and the Icing Wedge was not applied to predict accretion at that location. A simple order-of-magnitude heat transfer model was implemented into the COMDES-MELT code to estimate the wall temperature minimum and maximum thresholds that support ice accretion, as observed by video confirmation. The results from this model spanned the range of wall temperatures measured on a previous engine that experienced ice accretion at certain operating conditions. The goal of this study is to show that the computational process developed on earlier engine icing tests can be used to provide an icing risk assessment in adiabatic regions for other engines.

Turbofan engine↗
DOE OSTI2017

Hot deformation behaviors and processing maps of B{sub 4}C/Al6061 neutron absorber composites

In this study, the hot deformation behaviors of 30 wt.% B{sub 4}C/Al6061 neutron absorber composites (NACs) have been investigated by conducting isothermal compression tests at temperatures ranging from 653 K to 803 K and strain rates from 0.01 to 10 s{sup −1}. It was found that, during hot compression, the B{sub 4}C/Al6061 NACs exhibited a steady flow characteristic which can be expressed by the Zener-Hollomon parameter as a hyperbolic-sine function of flow stress. High average activation energy (185.62 kJ/mol) of B{sub 4}C/Al6061 NACs is noted in current study owing to the high content of B{sub 4}C particle. The optimum hot working conditions for B{sub 4}C/Al6061 NACs are found to be 760–803 K/0.01–0.05 s{sup −1} based on processing map and microstructure evolution. Typical material instabilities are thought to be attributed to void formation, adiabatic shear bands (ASB), particle debonding, and matrix cracking. Finally, the effect of the plastic deformation zones (PDZs) on the microstructure evolution in this 30 wt.% B{sub 4}C/Al6061 composite is found to be very important. - Highlights: •The hot deformation behavior of the 30 wt.% B{sub 4}C/Al6061 NACs was first analyzed. •The 3D efficiency map and the instability map are developed. •The optimum hot working conditions were identified and validated by SEM and TEM. •The hot deformation schematic diagram of 30 wt.% B{sub 4}C/Al6061 NACs is developed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multiphonon Intracenter Relaxation of Boron Acceptor States in Diamond

The relaxation rates are calculated in the adiabatic approximation, in which the steady-state impurity states are taken to be electronic-vibrational (vibronic) states. The probabilities of transitions between these states with the emission (or absorption) of one or several phonons are calculated in first-order perturbation theory on the assumption that the transitions are a result of the violation of adiabaticity. The electron part of the wave function of the vibronic state is described by a simple Hamiltonian with an isotropic effective mass. The wave function of the ground state is determined by the quantum defect method. According to the calculations, a hole relaxes from the excited boron acceptor state, whose energy is 304 meV higher than the energy of the ground state, to the ground state with the emission of two optical phonons with a rate of ~10{sup 11} s{sup –1}. This value is an estimate from above, since the model of nondispersive optical phonons used in the study overestimates the number of phonon modes, whose participation in relaxation is allowed by the energy conservation law. However, despite the rough approximation, it can be concluded that the multiphonon relaxation of boron acceptor states in diamond is a fast process.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Stochastic acceleration of energetic ions in Jupiter's magnetosphere

An equation governing the combined radial diffusion and stochastic acceleration of super-Alfvenic ions by magnetohydrodynamic waves in Jupiter's outer magnetosphere is derived. The formulation is based upon a total energy invariant of the adiabatic transport which applies to an isotropic distribution undergoing rapid pitch angle scattering by waves. An analytic solution to the double diffusion equation is obtained and numerical results are presented for two models of ion injection. The first model assumes S(+) and O(+) are injected throughout a broad region of space through photoionization of Jupiter's magnetospheric neutral wind and obtain an initial energy corresponding to the local corotation energy after pickup by the planetary magnetic field. The second model assumes a monoenergetic distribution of energetic protons is implanted in the middle magnetosphere by the action of field-aligned potential drops in Jupiter's auroral ionosphere. For both light and heavy ions the injection process creates a seed population of particles which are further accelerated nonadiabatically by the MHD waves and adiabatically through radial diffusion. A comparison of the theoretical results with a recent data analysis of Voyager low-energy charged particle measurements is made with very good agreement, thus providing a rigorous quantitative account of and definitive explanation for the high-energy ion component of Jupiter's magnetosphere.

Barbosa, D. D.↗
DOE OSTI2019

Direct mapping of curve-crossing dynamics in IBr by attosecond transient absorption spectroscopy

The electronic character of photoexcited molecules can abruptly change at avoided crossings and conical intersections. Here, we report direct mapping of the coupled interplay between electrons and nuclei in a prototype molecule, iodine monobromide (IBr), by using attosecond transient absorption spectroscopy. A few-femtosecond visible pulse resonantly excites the B ( Π 3 0 + ) , Y(0 + ), and Z(0 + ) states of IBr, and the photodissociation dynamics are tracked with an attosecond extreme-ultraviolet pulse that simultaneously probes the I-4 d and Br-3 d core-level absorption edges. Direct comparison with quantum mechanical simulations unambiguously identifies the absorption features associated with adiabatic and diabatic channels at the B/Y avoided crossing and concurrent two-photon dissociation processes that involve the Y/Z avoided crossing. Finally, the results show clear evidence for rapid switching of valence-electronic character at the avoided crossing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Recall Performance for Content-Addressable Memory Using Adiabatic Quantum Optimization

A content-addressable memory (CAM) stores key-value associations such that the key is recalled by providing its associated value. While CAM recall is traditionally performed using recurrent neural network models, we show how to solve this problem using adiabatic quantum optimization. Our approach maps the recurrent neural network to a commercially available quantum processing unit by taking advantage of the common underlying Ising spin model. We then assess the accuracy of the quantum processor to store key-value associations by quantifying recall performance against an ensemble of problem sets. We observe that different learning rules from the neural network community influence recall accuracy but performance appears to be limited by potential noise in the processor. The strong connection established between quantum processors and neural network problems supports the growing intersection of these two ideas.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Adiabatic criteria for outer-sphere bimolecular electron-transfer reactions

A model is presented for outer-sphere bimolecular electron-transfer reactions which is correct in the adiabatic, nonadiabatic, and intermediate dynamical regimes for an overdamped solvent coordinate. From this model, the conditions for the transfer to be adiabatic or nonadiabatic are deduced. The time-scale separations needed to adequately describe the process as an average over (distant dependent) unimolecular rates are described.

Onuchic, Jose Nelson↗
NASA NTRS1992

A self-consistent field method for galactic dynamics

The present study describes an algorithm for evolving collisionless stellar systems in order to investigate the evolution of systems with density profiles like the R exp 1/4 law, using only a few terms in the expansions. A good fit is obtained for a truncated isothermal distribution, which renders the method appropriate for galaxies with flat rotation curves. Calculations employing N of about 10 exp 6-7 are straightforward on existing supercomputers, making possible simulations having significantly smoother fields than with direct methods such as tree-codes. Orbits are found in a given static or time-dependent gravitational field; the potential, phi(r, t) is revised from the resultant density, rho(r, t). Possible scientific uses of this technique are discussed, including tidal perturbations of dwarf galaxies, the adiabatic growth of central masses in spheroidal galaxies, instabilities in realistic galaxy models, and secular processes in galactic evolution.

Hernquist, Lars↗
DOE OSTI2019

A comparison of adiabatic shear bands in wrought and additively manufactured 316L stainless steel using nanoindentation and electron backscatter diffraction

The resistance of stainless steels to shear localization is dependent on processing and microstructure. The amount of research evaluating the shear response of additively manufactured (AM) stainless steels compared to traditionally manufactured ones is limited. To address this gap, experiments were performed on directed energy deposition AM as-built and wrought 316L stainless steel using a forced shear technique with a hat-shaped specimen and a Split-Hopkinson pressure bar. The resulting adiabatic shear bands were characterized with electron backscatter diffraction (EBSD) and nanoindentation to quantify the changes in microstructure and deformation hardening across shear band regions and between the wrought and AM materials. Despite significant differences between the wrought and AM materials including the forced shear response, the postmortem states of work hardening due to the shear band deformation are nearly the same. The maximum nanoindentation stresses occurred in the shear band center with similar magnitudes and only minor differences away from the shear band. Although EBSD data cannot be resolved in the shear band center, misorientation trends, particularly grain reference orientation deviation, were found to closely resemble nanoindentation trends. In conclusion, the combination of EBSD misorientation and nanoindentation, which are linked through changes in dislocation density, is a viable protocol to quantify local changes to macroscopically applied deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Trapped-ion quantum simulation of electron transfer models with tunable dissipation

Electron transfer is at the heart of many fundamental physical, chemical, and biochemical processes essential for life. The exact simulation of these reactions is often hindered by the large number of degrees of freedom and by the essential role of quantum effects. Here, we experimentally simulate a paradigmatic model of molecular electron transfer using a multispecies trapped-ion crystal, where the donor-acceptor gap, the electronic and vibronic couplings, and the bath relaxation dynamics can all be controlled independently. By manipulating both the ground-state and optical qubits, we observe the real-time dynamics of the spin excitation, measuring the transfer rate in several regimes of adiabaticity and relaxation dynamics. Our results provide a testing ground for increasingly rich models of molecular excitation transfer processes that are relevant for molecular electronics and light-harvesting systems.

Science & Technology - Other Topics↗
DOE OSTI2016

Adiabatic model of field reversal by fast ions in an axisymmetric open trap

A model of field reversal by fast ions has been developed under the assumption of preservation of fast-ion adiabatic invariants. Analytical solutions obtained in the approximation of a narrow fast-ion layer and numerical solutions to the evolutionary problem are presented. The solutions demonstrate the process of formation of a field reversed configuration with parameters close to those of the planned experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Adiabatic Quantum Computation Applied to Deep Learning Networks

Training deep learning networks is a difficult task due to computational complexity, and this is traditionally handled by simplifying network topology to enable parallel computation on graphical processing units (GPUs). However, the emergence of quantum devices allows reconsideration of complex topologies. We illustrate a particular network topology that can be trained to classify MNIST data (an image dataset of handwritten digits) and neutrino detection data using a restricted form of adiabatic quantum computation known as quantum annealing performed by a D-Wave processor. We provide a brief description of the hardware and how it solves Ising models, how we translate our data into the corresponding Ising models, and how we use available expanded topology options to explore potential performance improvements. Although we focus on the application of quantum annealing in this article, the work discussed here is just one of three approaches we explored as part of a larger project that considers alternative means for training deep learning networks. The other approaches involve using a high performance computing (HPC) environment to automatically find network topologies with good performance and using neuromorphic computing to find a low-power solution for training deep learning networks. Our results show that our quantum approach can find good network parameters in a reasonable time despite increased network topology complexity; that HPC can find good parameters for traditional, simplified network topologies; and that neuromorphic computers can use low power memristive hardware to represent complex topologies and parameters derived from other architecture choices.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

Electron heating in quasi-perpendicular shocks - A Monte Carlo simulation

To study the problem of electron heating in quasi-perpendicular shocks, under the combined effects of 'reversible' motion, in the shock electric potential and magnetic field, and wave-particle interactions a diffusion equation was derived, in the drift (adiabatic) approximation and it was solved by using a Monte Carlo method. The results show that most of the observations can be explained within this framework. The simulation has also definitively shown that the electron parallel temperature is determined by the dc electromagnetic field and not by any wave particle induced heating. Wave-particle interactions are effective in smoothing out the large gradients in phase space produced by the 'reversible' motion of the electrons, thus producing a 'cooling' of the electrons. Some constraints on the wave-particle interaction process may be obtained from a detailed comparison between the simulation and observations. In particular, it appears that the adiabatic approximation must be violated in order to explain the observed evolution of the perpendicular temperature.

Veltri, Pierluigi↗
DOE OSTI2025

A fully ro-vibrationally resolved corona model for the molecular hydrogen Fulcher-𝛼 system

A ro-vibrationally resolved corona model for the molecular hydrogen Fulcher-𝛼 transition based on the Yacora solver is introduced. The model couples 1365 ro-vibrational levels of the 𝑋 1 ⁢𝛴$^+_𝑔$, 𝑑 3⁢ 𝛱 𝑢 and 𝑎 3 ⁢𝛴$^+_𝑔$ states via electron impact excitation from the ground state into the 𝑑 3⁢ 𝛱 𝑢 state and subsequent spontaneous emission into the 𝑎 3 ⁢𝛴$+_𝑔$ state. For the process of electron impact excitation a set of 45260 fully ro-vibrationally resolved cross sections calculated with the molecular convergent close-coupling (MCCC) method in the adiabatic-nuclei formulation is applied. The MCCC cross sections are compared with results of a scaling method used in other works, demonstrating the need for dedicated ro-vibrationally resolved cross sections. By post-processing the model output, entire Fulcher spectra can be simulated. These spectra are benchmarked with measurements from an inductively coupled plasma discharge at a pressure between 1.1–10 Pa and a RF power of 700 W. The model results agree very well with the experiment both in relative shape and in absolute value. A non-ro-vibrationally resolved, purely electronically resolved collisional radiative model for molecular hydrogen (including further states and reaction channels) is applied to investigate the validity of the corona approximation for the benchmark plasmas and the relevance of possible process extensions of the corona model. Furthermore, the influence of collisional quenching, autoionization and predissociation is discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗