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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Humidity Measurements at NASA Glenn Research Center Wind Tunnels

This presentation reviews the humidity measurements systems used at the large-scale wind tunnels at the NASA Glenn Research Center (as of July 2023), including the 9- by 15-Foot Low Speed Wind Tunnel, 8- by 6-Foot Supersonic Wind Tunnel, and the 10- by 10-Foot Supersonic Wind Tunnel. Effects of hygrometer accuracy and saturation vapor pressure model choice on Mach number are also investigated. Information in this presentation is intended for discussion with the AETC-supported Wind Tunnel Characterization Working Group during the 2023 Face-to-Face Meetings July 25-27 at NASA Glenn Research Center.

Humidity↗
NASA NTRS2000

Transport Through Carbon Nanotube Wires

This viewgraph presentation gives an overview of the the current carrying capacity of nanotube wires. Information is given on the motivation for the research, models and assumptions, Bragg reflection and Zener tunneling effects, and the influence of defects. Results show that dI/dv versus V does not increase in a manner commensurate with the increase in the number of subbands; in small diameter nanotubes, Zener tunneling is ineffective; Zener tunneling contributes to current with increase in nanotube diameter; and the increase in dI/dV with bias is much smaller than the increase in the number of subbands.

Anantram, M. P.↗
DOE OSTI2021

The CH(X 2 Π) + H 2 O reaction: two transition state kinetics

he reaction of ground state methylidyne (CH) with water vapor (H 2 O) is theoretically re-investigated using high-level coupled cluster computations in combination with semi-classical transition state theory (SCTST) and two-dimensional master equation simulations. Insertion of CH into a H–O bond of H 2 O over a submerged barrier via a well-skipping mechanism yielding solely H and CH 2 O is characterized. The reaction kinetics is effectively determined by the formation of a pre-reaction van der Waals complex (PRC, HC—OH 2 ) and its subsequent isomerization to activated CH 2 OH in competition with PRC re-dissociation. The tunneling effects are found to be minor, while variational effects in the PRC → CH 2 OH step are negligible. The calculated rate coefficient k ( T ) is nearly pressure-independent, but strongly depends on temperature with pronounced down-up behavior: a high value of 2 x 10 -10 cm 3 s -1 at 50 K, followed by a fairly steep decrease down to 8 × 10 -12 cm 3 s -1 at 900 K, but increasing again to 5 × 10 -11 cm 3 s -1 at 3500 K. Over the T-range of this work, k ( T ) can be expressed as: k ( T , P = 0) = 2.31 × 10 -11 ( T /300 K) -1.615 exp(-38.45/ T ) cm 3 s -1 for T = 50-400 K k ( T , P = 0) = 1.15 × 10 -12 ( T /300 K) 0.8637 exp(892.6/ T ) cm 3 s -1 for T = 400-1000 K k ( T , P = 0) = 4.57 × 10 -15 ( T /300 K) 3.375 exp(3477.4/ T ) cm 3 s -1 for T = 1000–3500 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Vertical Electron Transport through PbS-EuS Structures

Temperature dependence of current-voltage I-V characteristics and resistivity is studied in ferromagnetic PbS-EuS semiconductor tunnel structures grown on n-PbS (100) substrates. For the structures with a single (2-4 nm thick) ferromagnetic EuS electron barrier we observe strongly non-linear I-V characteristics with an effective tunneling barrier height of 0.3-0.7 eV. The experimentally observed non-monotonic temperature dependence of the (normal to the plane of the structure) electrical resistance of these structures is discussed in terms of the electron tunneling mechanism taking into account the temperature dependent shift of the band offsets at the EuS-PbS heterointerface as well as the exchange splitting of the electronic states at the bottom of the conduction band of EuS.

Wrotek, S.↗
NASA NTRS1981

Onset of condensation effects in cryogenic wind tunnels

The onset of condensation effects in cryogenic wind tunnels which limits their minimum operating temperatures is examined. If this onset of effects occurs below saturation temperature, then the tunnels may be operated at the lower temperatures and additional benefits to cryogenic tunnel operation resulting in increased Reynolds number capability and reduced operating costs. Both homogeneous and heterogeneous nucleation processes are discussed as they pertain to continuous flow cryogenic wind tunnels. Examples from condensation experiments in the 0.3 m Transonic Cryogenic Tunnel are also reviewed.

Hall, R. M.↗
DOE OSTI2023

Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software

The open-source statistical mechanics software described here, Arkane–Automated Reaction Kinetics and Network Exploration–facilitates computations of thermodynamic properties of chemical species, high-pressure limit reaction rate coefficients, and pressure-dependent rate coefficient over multi-well molecular potential energy surfaces (PES) including the effects of collisional energy transfer on phenomenological kinetics. Arkane can use estimates to fill in information for molecules or reactions where quantum chemistry information is missing. The software solves the internal energy master equation for complex unimolecular reaction systems. Inputs to the software include converged electronic structure computations performed by the user using a variety of supported software packages (Gaussian, Molpro, Orca, TeraChem, Q-Chem, Psi4). The software outputs high-pressure limit rate coefficients and pressure-dependent phenomenological rate coefficients, as well as computed thermodynamic properties (enthalpy, entropy, and constant pressure heat capacity) with added energy corrections. Some of the key features of Arkane include treatment of 1D, 2D or ND hindered internal rotation modes, treatment of free internal rotation modes, quantum tunneling effect consideration, transition state theory (TST) and Rice-Ramsperger-Kassel-Marcus (RRKM) rate coefficient computations, master equation solution with four implemented methods, inverse-Laplace transform of high-pressure limit rate coefficients into the energy domain, energy corrections based on bond-additivity or isodesmic reactions, automated and efficient PES exploration, and PES sensitivity analysis. The present work describes the design of Arkane, how it should be used, and refers to the theory that it employs. Arkane is distributed via the RMG-Py software suite (https://github.com/ReactionMechanismGenerator/RMG-Py).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

A Reynolds-Averaged Navier-Stokes Perspective for the High Lift Common Research Model Using the LAVA Framework

An in-depth assessment of the High Lift-Common Research Model (HL-CRM) aerodynamic performance is made using a Reynolds-Averaged Navier-Stokes (RANS) methodology. Results presented here were produced in support of the 4th AIAA High Lift Prediction Workshop(HLPW-4), with additional simulation results and analysis used to support findings from the workshop. Mesh resolution, RANS closure models, and tunnel effects were among the sources of simulation sensitivity addressed, all in the pursuit of evaluating best-practice simulation methods for complex high-lift configurations. In general, free-air simulations using RANS yield accurate predictions of integrated loads in the pre-stall regime for the HL-CRM, while strong sensitivity to simulation method is observed near CLmax. Additionally, a study assessing changes in aerodynamic performance due to flap deflection angle indicated strong sensitivity to turbulence model closure and mesh resolution, particularly at the highest deflection setting. Several available corrections for the Spalart-Allmaras (SA) turbulence model were tested and generally introduced more error relative to the experiment in comparison to the baseline SA closure model. The Standard Menter Baseline Two-Equation (k-ωBSL) turbulence model was also explored, which arguably yielded results highly consistent with experiment, but at a substantially higher computational cost. Therefore, as a compromise between computational cost and accuracy, the baseline SA closure model was selected for additional HL-CRM studies that assess alternative solution methods. These strategies include “warm start” approaches, which initialize the simulation from a previously converged solution at a nearby angle of attack, unsteady calculations, and simulations that model the experimental wind tunnel. Results from these studies would reinforce the shortcomings of RANS in predicting aircraft performance at high-lift conditions, namely at high-αand highly loaded flap conditions, while also answering questions about appropriate modeling techniques to minimize the errors associated with RANS where possible

TTT↗
DOE OSTI2021

Study the existing form of copper ( p-type oxide/segregation ) and its release mechanism from the passive film of Ti-7Cu alloy

For this work, the existing form of copper and its release mechanism from the passive film of Ti-7Cu alloy was studied by Quantitative analysis of depth profile and series of electrochemical tests. Results were interpreted within the Point Defect Model-II. Copper does not form any p-type (cuprous or cupric) oxide but preferentially oxidises at the metal/film interface and segregated as Cu interstitials ($Cu^+_i$) and become substituted as $Cu^{x'}_{Ti}$ in the oxygen-deficient TiO 2-x barrier layer having n-type semiconducting character. Eventually, the segregated species of Cu preferentially dissolute through the film as Cu ions into the solution at film/solution interface via the Esaki-tunnelling effect.

Siddiqui, Muhammad Ali↗
DOE OSTI2023

Manipulating single excess electrons in monolayer transition metal dihalide

Polarons are entities of excess electrons dressed with local response of lattices, whose atomic-scale characterization is essential for understanding the many body physics arising from the electron-lattice entanglement, yet difficult to achieve. Here, using scanning tunneling microscopy and spectroscopy (STM/STS), we show the visualization and manipulation of single polarons in monolayer CoCl 2 , that are grown on HOPG substrate via molecular beam epitaxy. Two types of polarons are identified, both inducing upward local band bending, but exhibiting distinct appearances, lattice occupations and polaronic states. First principles calculations unveil origin of polarons that are stabilized by cooperative electron-electron and electron-phonon interactions. Both types of polarons can be created, moved, erased, and moreover interconverted individually by the STM tip, as driven by tip electric field and inelastic electron tunneling effect. This finding identifies the rich category of polarons in CoCl 2 and their feasibility of precise control unprecedently, which can be generalized to other transition metal halides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Quantum Computing by Coherent Cooling

Interesting problems in quantum computation take the form of finding low-energy states of (pseudo)spin systems with engineered Hamiltonians that encode the problem data. Motivated by the practical possibility of producing very low-temperature spin systems, we propose and exemplify the possibility to compute by coupling the computational spins to a quantum coherent bath that serves as a heat sink. The quantum tunneling effect provides additional cooling channels to accelerate the cooling process. Here, we demonstrate both analytically and numerically that this strategy can achieve a quantum advantage in the unstructured search problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1987

Tunneling-assisted impact ionization for a superlattice

Tunneling-assisted impact ionization across the conduction-band-edge discontinuity of quantum-well heterostructures is investigated and applied to a new superlattice structure. Multiquantum-well structures where the quantum-well regions are heavily doped and the undoped barrier regions are essentially insulating were considered. Incident hot electrons due to the applied electric field perpendicular to the heterointerface interact with the two-dimensional electrons confined to the quantum wells through Coulomb force. The resultant electrons can either have enough energy to get out of the wells or to tunnel through the triangular barriers. A new analytical approximation for the impact ionization rate is given which compares favorably with numerical results. The tunneling-assisted impact ionization rates and the ionization coefficients are calculated. It is shown that the tunneling effect reduces the ionization threshold and enhances the ionization rate significantly.

Chuang, S. L.↗
NASA NTRS1987

High temperature transport properties of air

A general computer code was developed to allow calculation of atom-atom and ion-atom transport collision integrals from accurate potential energy curves described by a set of discrete data points for a broad range of scattering conditions. This code is based upon semiclassical approximations that properly account for quantum mechanical behavior such as tunneling effects near a barrier maximum, resonance charge exchange, and nuclear symmetry effects. Transport collision integrals were determined for N-N, O-O, N(+)-N, and O(+)-O interactions from complete sets of accurate potential functions derived from combined experimental and ab initio structure calculations. For the O-O case, this includes results for excited states. The calculated values of the N(+)-N and O(+)-O resonance charge exchange cross section Q(ex) agree well with measurements from beam experiment that are available at high energies where the diffusion cross section Q(d) satisfies Q(d) approximately equal to 2Q(ex).

Levin, E.↗
NASA NTRS1988

Wind turbine acoustics research bibliography with selected annotation

Citations of documents are included, which represent the state-of-the-art of technology in each of the following acoustics subject areas: Prediction of Wind Turbine Noise; Acoustic Measurements for Wind Tunnels; Effect of Wind Turbine Noise on Building Structures, People and Communities; Atmospheric Propagation; and Measurement Technology Including Wind Screens. Documents are listed in chronological order in each section of the paper, with key documents and associated annotation listed first. The sources are given along with acquisition numbers, when available, to expedite the acquisition of copies of the documents.

Hubbard, Harvey H.↗
NASA NTRS1988

Computed potential energy surfaces for chemical reactions

The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

Walch, Stephen P.↗
NASA NTRS1987

Temperature characteristics of silicon space solar cells and underlying parameters

Silicon space cells, 2 cm x 2 cm, with 10 ohm-cm p-base resistivity, 8-mil base thickness, and no back-surface fields have been investigated over the temperature range from 301 to 223 K by measurements of dark forward and reverse current-voltage characteristics and current-voltage relations under illumination. From dark forward bias data, the first and second diode saturation currents, I01 and I02, are determined and hence the base diffusion length and lifetime of minority carriers as functions of temperature. Lifetime increases exponentially with temperature and is explained by a Shockley-Read-Hall model with deep recombination levels 0.245 eV above the valence band. The I02 variation with temperature follows the Sah-Noyce-Shockley-Choo model except at low temperature where extra transitions raise the value above the predicted level. Reverse bias current at low voltage is a thermally assisted tunneling process via deep levels which are observed in base recombination at higher temperatures. The tunneling effects tend to become independent of temperature in the low-temperature region. These results demonstrate the ability to deduce basic parameters such as lifetime from simple measurements and show that back-surface fields offer no advantage at temperatures below 230 K. The analysis also explains the fall in lifetimes observed as the base conductivity increases, attributing it to native defects (perhaps carbon-oxygen-vacancy complexes) rather than the concentration of base dopant.

Anspaugh, B. E.↗
NASA NTRS1989

Relaxation behavior of ultrasonic attenuation in YBa2Cu3O7

It is shown that temperature-dependent ultrasonic attenuation data of YBa2Cu3O7 at various frequencies exhibit anomalies at temperatures close to Tc. These attenuation maxima are found to be the result of a relaxation mechanism added on top of an unusual attenuation background. It is proposed that the grain boundary motions induced by the structural distortion and the propagation of sound waves enhances the energy dissipation around Tc. Whether this structural distortion is the consequence of the onset of a superconducting state remains undetermined. It is also possible that either a tunneling effect or the acoustoelectric effect contributes to sound energy dissipation. The temperature dependence of ultrasonic velocity shows a softening around Tc which may be an intrinsic property of high-temperature superconductors.

Sun, K. J.↗