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Results for “transit method”

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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Prediction of stall and post-stall behavior of airfoils at low and high Reynolds numbers

An interactive boundary-layer method, together with the e(super n)-approach to the calculation of transition, has been used to predict the stall and post-stall behavior of airfoils at low and high Reynolds numbers. The turbulence model is based on the Cebeci-Smith algebraic eddy-viscosity formulation with improvements for strong pressure gradient effects and transitional flows at low Reynolds numbers. Comparison of calculated results for incompressible flows indicate good agreement with experiment for a wide range of Reynolds numbers. Preliminary calculations for low Mach number flows with this interactive method with compressibility corrections to the panel method indicate that, at a Mach number of 0.3, the compressibility effect on (C sub Q)max is not negligible.

Cebeci, T.↗
DOE OSTI2014

Multi-center semi-empirical quantum models for carbon under extreme thermodynamic conditions

We report on the development of many-body density functional tight binding (DFTB) models for carbon, which include either explicit or implicit calculation of multi-center terms in the Hamiltonian. Here, we show that all of our methods yield accurate eigenstates and eigenfunctions for both ambient diamond and transitions to molten, metallic states. We then determine a three-body repulsive energy to compute accurate equation of state and structural properties for carbon under these conditions. Our results indicate a straightforward approach by which many-body effects can be included in DFTB, thus extending the method to a wide variety of systems and thermodynamic conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Electric dipole transitions for four-times ionized cerium (Ce V)

We have calculated the transition parameters, such as wavelengths, oscillator strengths, and transition probabilities (or rates), for the electric dipole (E1) transitions in four-times ionized cerium (Ce V, Z = 58) by using the multiconfiguration Hartree-Fock method within the framework of Breit-Pauli (MCHF+BP) relativistic corrections and the relativistic Hartree-Fock (HFR) method. The obtained results have been compared with other works available in literature. A discussion of these calculations for Ce V in this study has also been in view of the MCHF+BP and HFR methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Identification and localization of rotational spectra using recurrent neural networks

A method of identifying molecular parameters in a complex mixture may include receiving a set of combined transition frequencies and analyzing the set of combined transition frequencies using a first trained artificial neural network to generate a plurality of separated transition frequency sets. Each of the plurality of separated frequency sets may be analyzed using a second trained artificial neural network to generate a respective set of estimated spectral parameters. The method may include identifying a set of molecular parameters corresponding to the set of separated transition frequencies.

Prozuments, Kirills↗
DOE OSTI2019

Energy Dissipation Characteristics in Pre-strained Silicone Foam Transitioning to Silicone Rubber

Silicone foam is used as a shock mitigation material in a variety of systems to protect internal components from being damaged during external shock or impact loading. Characterizing the shock mitigation response of silicone foam under a variety of scenarios is a critical step in designing and/or evaluating new shock mitigation systems. In this study, a Kolsky bar with precompression capability was used with a passive radial confinement tube to subject the sample to various levels of pre-strain followed by impact loading. The effects of both pre-strain and impact velocity on impact energy dissipation behavior were investigated for silicone foam. The energy dissipation response of silicone foam is compared to a silicone rubber manufactured using the same processing methods to understand the energy dissipation characteristics of silicone foams transitioning to a silicone rubber. The final density of the foam or rubber plays a key role in both the total energy dissipation ratio in the time domain and the energy dissipation ratio as a ftinction of frequency in the frequency domain.

36 MATERIALS SCIENCE↗
NASA NTRS1994

The photometric method of extrasolar planet detection revisited

We investigate the geometry concerning the photometric method of extrasolar planet detection, i.e., the detection of dimunition of a parent star's brightness during a planetary transit. Under the assumption that planetary orbital inclinations can be defined by a Gaussian with a sigma of 10 deg centered on the parent star's equatorial plane, Monte Carlo simulations suggest that for a given star observed at an inclination of exactly 90 deg, the probability of at least one Earth-sized or larger planet being suitably placed for transits is approximately 4%. This probability drops to 3% for a star observed at an inclination of 80 deg, and is still approximately 0.5% for a star observed at an inclination of 60 deg. If one can select 100 stars with a pre-determined inclination equal or greater than 80 deg, the probability of at least one planet being suitably configured for transits is 95%. The majority of transit events are due to planets in small-a orbits similar to the Earth and Venus; thus, the photometric method in principle is the method best suited for the detection of Earthlike planets. The photometric method also allows for testing whether or not planets can exist within binary systems. This can ge done by selecting binary systems observed at high orbital inclinations, both eclipsing binaries and wider visual binaries. For a 'real-world' example, we look at the alpha Centauri system (i = 79.2 deg). If we assume that the equatorial planes of both components coincide with the system's orbital plane, Monte Carlo simulations suggest that the probability of at least one planet (of either component) being suitably configured for transits is approximately 8%. In conclusion, we present a non-exhaustive list of solar-type stars, both single and within binary systems, which exhibit a high equatorial inclination. These objects may be considered as preliminary candidates for planetary searches via the photometric method.

Hale, Alan↗
DOE OSTI2019

A farewell to arms: using X-ray synchrotron imaging to investigate autotomy in brittle stars

Autotomy, the self-induced loss of a body structure, occurs in every living class of echinoderms and is related to the remarkable regeneration capabilities of the group. It is particularly prevalent in brittle stars (Class Ophiuroidea). Autotomy is facilitated by mutable collagenous tissue (MCT), which undergoes nervous system-mediated changes in tensile stiffness, tensile strength, and viscosity. Previous investigations of autotomy have been based on observations of the external surface, surgical manipulation of internal structures, or data on the morphology of structures post-autotomy. We used fast phase-contrast X-ray synchrotron imaging to visualize full autotomy events in vivo in the arms of specimens of the brittle star Ophioderma brevispina . This method requires no chemical or surgical manipulation and enabled us to identify several key stages in the autotomy process. We used this methodology to observe critical changes within the internal structure of the arm as it transitions from a functional mechanical apparatus to a dysfunctional disarticulated state. This method is the first in which the full intersegmental plane of the arm can be observed during autotomy. In conclusion, it can be applied to visualize autotomy and motion in vivo in other brittle star taxa, as well as in other groups such as asteroids and arthropods.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Production Procedure and Characterization of Zn-Doped Y-123 Superconducting Samples Prepared by Sol-Gel Method

The superconducting YBa{sub 2}Cu{sub 3−x}Zn{sub x}O{sub 7} (Y-123) bulk materials have been synthesized by using the sol-gel method. Samples are produced as undoped Y-123 and transition metal (Zn)-doped Y-123. Before the final heat treatment, the samples are calcined at 850 °C for 24 h. This process is repeated three times. Then, samples are sintered at 950 °C for 24 h in an air environment and at 500 °C for 5 h in an oxygen atmosphere. The synthesized products are characterized by XRD, R-T, and Vickers microhardness tester. The XRD investigation revealed that the prepared sample has an orthorhombic structure. According to XRD measurements, an orthorhombic structure has not changed with Zn doping. It was observed that undoped and Zn-doped samples have superconductivity properties by electrical measurements. T{sub c}{sup onset} is 89 K for undoped Y-123 sample, and the T{sub c}{sup onset} value decreases monotically with Zn addition. All samples show metallic behavior above T{sub c}{sup onset} temperature. As a result of Vickers microhardness measurements, it is observed that all samples have reverse indentation size effect (RISE) behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Discretization Procedure for Linear Dynamical Systems

We describe in detail a method of construction of a discrete linear dynamical model of a controllable object in the recurrent Cauchy form corresponding to an initial continuous dynamical system. We describe discretization algorithms for free and forced motion of a linear continuous dynamical system and propose methods of construction of the state, control, and perturbation transition matrices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Reachable set bounding for a class of bidirectional associative memory NNSs with Markov jump switching parameters

This paper studies the problem how to estimate the reachable set for a class of delayed bidirectional associative memory neural network systems (NNSs), which have Markov switching parameters and unit-energy or unit-peak bounded disturbance inputs. The feature of the Markov jump bidirectional associative memory NNSs shows in the following twofold: the time delay is time varying; the transition rates is time varying. Moreover, the time-varying transition rates is piecewise constant. Using the Lyapunov functional method, delay-partitioning and linear matrix inequalities techniques, the estimate problem of the reachable set depending on time delay is solved. The effectiveness of the given results is illustrated by the proposed numerical examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Hydrothermal synthesis and thermal change in IR reflectance of Al/W co-doped VO2 powder

Highlights: • Al/W-doped VO{sub 2} powders were synthesized by a hydrothermally method. • The Al/W-doped VO{sub 2} underwent a phase transition at around room temperature. • The Al/W-doped VO{sub 2} had the larger IR reflectance compared with W-VO{sub 2}(M). - Abstract: Al/W co-doped VO{sub 2} with a monoclinic structure, space group P2{sub 1}/c, was synthesized (hereafter, Al/W-doped VO{sub 2}(M1)) and its thermochromic property was investigated. First, to prepare the precursor for Al/W-doped VO{sub 2}(M1), V{sub 2}O{sub 5}, (NH{sub 4}){sub 10}W{sub 12}O{sub 41}·5H{sub 2}O, and AlCl{sub 3}·H{sub 2}O were dispersed in a citric acid solution and then hydrothermally treated in an autoclave. Then, the Al/W-doped VO{sub 2}(M1) powders were synthesized by heating the obtained precursor at various temperatures under an Ar gas flow. The Al/W-doped VO{sub 2}(M1) has a monoclinic structure with space group P2{sub 1}/c, similar to undoped VO{sub 2}(M1) and W-doped VO{sub 2}(M1). The Al/W-doped VO{sub 2}(M1) indicated that the monoclinic to tetragonal transition temperature was lowered to approximately room temperature by the Al and W doping. The Al/W-doped VO{sub 2}(M1) had the lower optical band gap and showed a larger IR reflectance in the 800–2000 nm range, compared with W-doped VO{sub 2}(M1) and pure VO{sub 2}(M1).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Atomic resolution scanning transmission electron microscopy at liquid helium temperatures for quantum materials

Fundamental quantum phenomena in condensed matter, ranging from correlated electron systems to quantum information processors, manifest their emergent characteristics and behaviors predominantly at low temperatures. This necessitates the use of liquid helium (LHe) cooling for experimental observation. Atomic resolution scanning transmission electron microscopy combined with LHe cooling (cryo-STEM) provides a powerful characterization technique to probe local atomic structural modulations and their coupling with charge, spin and orbital degrees-of-freedom in quantum materials. However, achieving atomic resolution in cryo-STEM is exceptionally challenging, primarily due to sample drifts arising from temperature changes and noises associated with LHe bubbling, turbulent gas flow, etc. In this work, we demonstrate atomic resolution cryo-STEM imaging at LHe temperatures using a commercial side-entry LHe cooling holder. Firstly, we examine STEM imaging performance as a function of He gas flow rate, identifying two primary noise sources: He-gas pulsing and He-gas bubbling. Secondly, we propose two strategies to achieve low noise conditions for atomic resolution STEM imaging: either by temporarily suppressing He gas flow rate using the needle valve or by acquiring images during the natural warming process. Lastly, we show the applications of image acquisition methods and image processing techniques in investigating structural phase transitions in Cr 2 Ge 2 Te 6 , CuIr 2 S 4 , and CrCl 3 . In conclusion, our findings represent an advance in the field of atomic resolution electron microscopy imaging for quantum materials and devices at LHe temperatures, which can be applied to other commercial side-entry LHe cooling TEM holders.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effects of Residual DMSO Adduct on Photonically Cured MAPbI 3 Solar Cells

Defects and impurities in halide perovskite solar cells can negatively impact device performance and long-term stability. In this study, we identify photonically cured methylammonium (MA) lead iodide films contain a residual adduct, MA 2 Pb 3 I 8 (dimethyl sulfoxide) 2 (MA 2 Pb 3 I 8 (DMSO) 2 ), that reduces photocurrent generation in perovskite solar cells (PSCs). This is evidenced by a decrease in the external quantum efficiency (EQE) near 400 nm. Similar EQE reductions were observed in PSCs produced using high-speed processes but have not been thoroughly examined. Through X-ray diffraction patterns and Fourier transform infrared spectroscopy, we establish the photo-inactive MA 2 Pb 3 I 8 (DMSO) 2 as the culprit for the EQE reduction. Combined experimental and simulation results reveal that the MA 2 Pb 3 I 8 (DMSO) 2 phase is located at the hole transport layer/ interface, not on the surface, resulting in lower quantum efficiency and surface photovoltage in the short wavelength region. The residual adduct is kinetically trapped due to the short processing time (20 ms) and crystallization direction but can be removed by an additional photonic pulse. Furthermore, this study highlights the need for careful examination of resulting materials beyond device efficiency when transitioning from laboratory processing to industrial high-speed methods.

14 SOLAR ENERGY↗
DOE OSTI2025

Capturing Ring Opening in Photoexcited Enolic Acetylacetone upon Hydrogen Bond Dissociation by Ultrafast Electron Diffraction

Photoinduced biological and chemical reactions are often based on key structural transformations of a molecule driven across multiple electronic states. Acetylacetone (AcAc) is a prototypical system for complex chemical pathways involving several conical intersections (CI) and singlet–triplet intersystem crossings (ISC) characterized by distinct geometries. In the gas phase, AcAc is predominantly in a planar ring-like enolic form stabilized by a strong intramolecular O–H···O hydrogen bond. Following excitation into the S 2 (ππ*) state at 266 nm, acetylacetone undergoes rapid internal conversion followed by intersystem crossing. Such relaxation pathways are associated with structural changes including ring opening, deplanarization, and bond elongation. In this work, ultrafast electron diffraction (UED) at the SLAC MeV-UED setup is employed as a direct structural probe with a time resolution of 160 fs. Together with trajectory surface hopping simulations, analysis of the UED data provides a new perspective on the early time nuclear dynamics in acetylacetone. Specifically, AcAc is observed to undergo ring opening, deplanarization, and bond elongation all within the first 700 fs after photoexcitation. The monitored dynamics is associated mainly with the nuclear motion on the S 1 potential energy surface, formed after very rapid transfer from S 2 to S 1 , allowing AcAc to reach the conical intersection to intersystem crossing. Such time scales of nuclear motion are contrasted with the time scales of electronic transitions in AcAc that were previously characterized with spectroscopic methods, specifically internal conversion (<100 fs) and intersystem crossing (∼1.5 ps).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Tailored topotactic chemistry unlocks heterostructures of magnetic intercalation compounds

The construction of thin film heterostructures has been a widely successful archetype for fabricating materials with emergent physical properties. This strategy is of particular importance for the design of multilayer magnetic architectures in which direct interfacial spin-spin interactions between magnetic phases in dissimilar layers lead to emergent and controllable magnetic behavior. However, crystallographic incommensurability and atomic-scale interfacial disorder can severely limit the types of materials amenable to this strategy, as well as the performance of these systems. Here, we demonstrate a method for synthesizing heterostructures comprising magnetic intercalation compounds of transition metal dichalcogenides (TMDs), through directed topotactic reaction of the TMD with a metal oxide. The mechanism of the intercalation reaction enables thermally initiated intercalation of the TMD from lithographically patterned oxide films, giving access to a family of multi-component magnetic architectures through the combination of deterministic van der Waals assembly and directed intercalation chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Programmable simulations of molecules and materials with reconfigurable quantum processors

Simulations of quantum chemistry and quantum materials are believed to be among the most important applications of quantum information processors. However, realizing practical quantum advantage for such problems is challenging because of the prohibitive computational cost of programming typical problems into quantum hardware. Here we introduce a simulation framework for strongly correlated quantum systems represented by model spin Hamiltonians that uses reconfigurable qubit architectures to simulate real-time dynamics in a programmable way. Our approach also introduces an algorithm for extracting chemically relevant spectral properties via classical co-processing of quantum measurement results. We develop a digital–analogue simulation toolbox for efficient Hamiltonian time evolution using digital Floquet engineering and hardware-optimized multi-qubit operations to accurately realize complex spin–spin interactions. As an example, we propose an implementation based on Rydberg atom arrays. In addition, we show how detailed spectral information can be extracted from the dynamics through snapshot measurements and single-ancilla control, enabling the evaluation of excitation energies and finite-temperature susceptibilities from a single dataset. To illustrate the approach, we show how to use the method to compute key properties of a polynuclear transition-metal catalyst and two-dimensional magnetic materials.

74 ATOMIC AND MOLECULAR PHYSICS↗