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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Reflection thermal diffuse x-ray scattering for quantitative determination of phonon dispersion relations

Synchrotron reflection x-ray thermal diffuse scattering (TDS) measurements, rather than previously reported transmission TDS, are carried out at room temperature and analyzed using a formalism based upon second-order interatomic force constants and long-range Coulomb interactions to obtain quantitative determinations of MgO phonon dispersion relations (h) over bar omega(j) (q), phonon densities of states g((h) over bar omega), and isochoric temperature-dependent vibrational heat capacities c v (T). We use MgO as a model system for investigating reflection TDS due to its harmonic behavior as well as its mechanical and dynamic stability. Resulting phonon dispersion relations and densities of states are found to be in good agreement with independent reports from inelastic neutron and x-ray scattering experiments. Temperature-dependent isochoric heat capacities c v (T), computed within the harmonic approximation from (h) over bar omega(j) (q) values, increase with temperature from 0.4 x 10 -4 eV/atom K at 100 K to 1.4 x 10 -4 eV/atom K at 200 K and 1.9 x 10 -4 eV/atom K at 300 K, in excellent agreement with isobaric heat capacity values c p (T) between 4 and 300 K. We anticipate that the experimental approach developed here will be valuable for determining vibrational properties of heteroepitaxial thin films since the use of grazing-incidence (θ ≲ θ c where θ c is the density-dependent critical angle) allows selective tuning of x-ray penetration depths to ≲ 10 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Modeling scale-up of particle coating by atomic layer deposition

Atomic layer deposition (ALD) is a promising technique to functionalize particle surfaces for energy applications including energy storage, catalysis, and decarbonization. In this work, we present a set of models of ALD particle coating to explore the transition from lab scale to manufacturing. Our models encompass the main particle coating manufacturing approaches including rotary bed, fluidized bed, and continuously vibrating reactors. These models provide key metrics, such as throughput and precursor utilization, required to evaluate the scalability of ALD manufacturing approaches and their feasibility in the context of energy applications. Our results show that designs that force the precursor to flow through fluidized particles transition faster to a transport-limited regime where throughput is maximized. They also exhibit higher precursor utilization. In the context of continuous processes, our models indicate that it is possible to achieve self-extinguishing processes with almost 100% precursor utilization. A comparison with past experimental results of ALD in fluidized bed reactors shows excellent qualitative and quantitative agreement.

25 ENERGY STORAGE↗
DOE OSTI2021

Bio-inspired Bistable Piezoelectric Energy Harvester for Powering Animal Telemetry Tags: Concept Design and Preliminary Experimental Validation

This paper presents the concept design, preliminary experimental validation, and performance evaluation of a novel bio-inspired bi-stable piezoelectric energy harvester for self-powered animal telemetry tags. The overall concept design, which includes a bio-inspired attachment and a bi-stable piezoelectric energy harvester, is introduced firstly with a specific application example of marine fish tracking. The self-powered telemetry tag can be externally deployed on fish (dorsal fin) to monitor fish habitats, population, and underwater environment. Inspired by the Venus flytrap’s rapid shape transition, a bistable piezoelectric energy harvester is developed to scavenge energy from fish maneuvering and the surrounding fluid flow for a sustainable power supply. The bistability of the harvester is characterized by the measured force-displacement curve and double potential wells. A bluff body is integrated to the free end of the bistable piezoelectric energy harvester to enhance the structure-fluid interaction for the large-amplitude snap-through vibrations and higher voltage output. Controlled laboratory experiments are conducted in a water tank on the bio-inspired bi-stable piezoelectric energy harvester using a servo motor system to simulate fish swing motion at various conditions to evaluate the power generation performance. The preliminary underwater experimental results demonstrated that the proposed bio-inspired bi-stable piezoelectric could effectively converter fish swing motions into electricity. 17.25 mJ energy was obtained within 130 s under the peak-to-peak swing angle of 30o at 1.5 Hz in the capacitor charging experiments.

Qian, Feng↗
NASA NTRS1978

A simple method for designing structural models with closely spaced modes of vibration

A simple method for designing a mathematical model with closely spaced vibration modes is described. The design process begins with a reference model having specified geometry, continuous inertia and stiffness distributions, and degrees of freedom, all of which remain unchanged. Two natural frequencies of this model are then forced together by means of systematic perturbation of the model's discrete inertia and stiffness parameters. There is only one eigenvalue solution per design cycle, and the gradient vector is calculated directly from the resulting modal quantities. The minimization procedure employed is unconstrained. As applications, a cantilevered plane grid model with five degrees of freedom and a bending-torsion-oscillator with eleven degrees of freedom are treated.

Hallauer, W. L., Jr.↗
NASA NTRS1989

High temperature skin friction measurement

Skin friction measurement in the NASA Langley hypersonic propulsion facility is described. The sensor configuration utilized an existing balance, modified to provide thermal isolation and an increased standoff distance. For test run times of about 20 sec and ambient-air cooling of the test section and balance, the modified balance performed satisfactorily, even when it was subjected to acoustic and structural vibration. The balance is an inertially balanced closed-loop servo system where the current to a moving-coil motor needed to restore or null the output from the position sensor is a measure of the force or skin friction tending to displace the moving element. The accuracy of the sensor is directly affected by the position sensor in the feedback loop, in this case a linear-variable differential transformer which has proven to be influenced by temperature gradients.

Tcheng, Ping↗
NASA NTRS1991

Dynamic Characteristics and Stability Analysis of Space Shuttle Main Engine Oxygen Pump

The dynamic characteristics of the Space Shuttle high pressure oxygen pump are presented. Experimental data is presented to show the vibration spectrum and response under actual engine operation and also in spin pit testing for balancing. The oxygen pump appears to be operating near a second critical speed and is sensitive to self excited aerodynamic cross coupling forces in the turbine and pump. An analysis is presented to show the improvement in pump stability by the application of turbulent flow seals, preburner seals, and pump shaft cross sectional modifications.

Gunter, Edgar J.↗
NASA NTRS1994

Mode shape analysis using a commercially available peak store video frame buffer

Time exposure photography, sometimes coupled with strobe illumination, is an accepted method for motion analysis that bypasses frame by frame analysis and resynthesis of data. Garden variety video cameras can now exploit this technique using a unique frame buffer that is a non-integrating memory that compares incoming data with that already stored. The device continuously outputs an analog video signal of the stored contents which can then be redigitized and analyzed using conventional equipment. Historically, photographic time exposures have been used to record the displacement envelope of harmonically oscillating structures to show mode shape. Mode shape analysis is crucial, for example, in aeroelastic testing of wind tunnel models. Aerodynamic, inertial, and elastic forces can couple together leading to catastrophic failure of a poorly designed aircraft. This paper will explore the usefulness of the peak store device as a videometric tool and in particular discuss methods for analyzing a targeted vibrating plate using the 'peak store' in conjunction with calibration methods familiar to the close-range videometry community. Results for the first three normal modes will be presented.

Snow, Walter L.↗
DOE OSTI2021

A fast multi-fidelity method with uncertainty quantification for complex data correlations: Application to vortex-induced vibrations of marine risers

Here we develop a fast multi-fidelity modeling method for very complex correlations between high- and low-fidelity data by working in modal space to extract the proper correlation function. We apply this method to infer the amplitude of motion of a flexible marine riser in cross-flow, subject to vortex-induced vibrations (VIV). VIV are driven by an absolute instability in the flow, which imposes a frequency (Strouhal) law that requires a matching with the impedance of the structure; this matching is easily achieved because of the rapid parametric variation of the added mass force. As a result, the wavenumber of the riser spatial response is within narrow bands of uncertainty. Hence, an error in wavenumber prediction can cause significant phase-related errors in the shape of the amplitude of response along the riser, rendering correlation between low- and high-fidelity data very complex. Working in modal space as outlined herein, dense data from low-fidelity data, provided by the semi-empirical computer code VIVA, can correlate in modal space with few high-fidelity data, obtained from experiments or fully-resolved CFD simulations, to correct both phase and amplitude and provide predictions that agree very well overall with the correct shape of the amplitude response. We also quantify the uncertainty in the prediction using Bayesian modeling and exploit this uncertainty to formulate an active learning strategy for the best possible location of the sensors providing the high fidelity measurements.

42 ENGINEERING↗
DOE OSTI2015

Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling

An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Magnetic and Kinetical Properties of Fe-27%Ni-4%Mn and Fe-27%Ni-4%Mn-2%Zn Alloys Investigated by VSM and DSC

We report on the structural, thermal, and magnetic properties of thermally induced martensite in Fe-27%Ni-4%Mn and Fe-27%Ni-4%Mn-2%Zn alloys. Scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and vibrating sample magnetometry (VSM) techniques were employed in the present research. SEM observations revealed the lath martensite morphology formation in both Fe-27%Ni-4%Mn and Fe-27%Ni-4%Mn-2%Zn alloys. As well, the thermally induced martensite start temperature (M{sub s}) was determined to be − 27.18 °C for Fe-27%Ni-4%Mn and − 40.63 °C for Fe-27%Ni-4%Mn-2%Zn alloy from DSC measurements. Further, the Curie temperature was detected at 160 K for Fe-27%Ni-4%Mn and 196 K for Fe-27%Ni-4%Mn-2%Zn alloys after VSM measurements where magnetic saturation values were measured at 20 emu g{sup − 1} for Fe-27%Ni-4%Mn alloy and 18 emu g{sup − 1} for Fe-27%Ni-4%Mn-2%Zn alloy, respectively. The coercivity value of the alloys was also found to be 0.082 kOe for Fe-27%Ni-4%Mn and 0.050 kOe for Fe-27%Ni-4%Mn-2%Zn alloys. Finally, the effect of Zn addition to the austenite–martensite phase tarnsformations of Fe-27%Ni-4%Mn was discussed in detail according to structural, thermal, and magnetic properties of both alloys after a quantitative experimental comparison.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Structural and magnetic properties of La{sub 1−x}Ce{sub x}Fe{sub 1−x}Cr{sub x}O{sub 3} orthoferrite prepared by co-precipitation method

Graphical abstract: TEM micrographs of La{sub 1−x}Ce{sub x}Fe{sub 1−x}Cr{sub x}O{sub 3} for x = 0.0. - Highlights: • The composition of La{sub 1−x}Ce{sub x}Fe{sub 1−x} Cr{sub x}O{sub 3} was prepared by co-precipitation method. • X-ray diffraction showed orthorhombic structure with space group Pnma. • With increasing Ce and Cr content, a decrease of the unit cell volume. • Enhancement in the coercivity (H{sub c}) with increasing Ce and Cr content. • Reduction of M{sub s} and M{sub r} up to x = 0.15 and increases with further increases of x. - Abstract: Nanocrystalline orthoferrites with the composition of La{sub 1−x}Ce{sub x}Fe{sub 1−x} Cr{sub x}O{sub 3} where (x = 0, 0.1, 0.15 and 0.2) were prepared by co-precipitation method. The structural and magnetic properties of the La{sub 1−x}Ce{sub x}Fe{sub 1−x}Cr{sub x}O{sub 3} system have been investigated. X-ray diffraction showed the formation of orthorhombic structure with space group Pnma for different compositions. With increasing Ce and Cr content, lattice parameters a and c were found to decrease while b increases, resulting in a decrease of the unit cell volume. The crystallite size was calculated from XRD data and compared with that obtained from TEM micrographs. Vibrating sample magnetometer measurements reveal an enhancement in the coercivity (H{sub c}) with increasing Ce and Cr content and reduction of saturation magnetization (M{sub s}) and remnant magnetization (M{sub r}) up to x = 0.15 and increases with further increases of x. The magnetic susceptibility measurements vs. temperature showed canted-antiferromagnetic (AFM) in which the Neel temperature is increasing with Ce and Cr content.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Characterizations of maghemite thin films prepared by a sol-gel method

Iron is one of the abundant elements of Mother Nature and its compound, iron oxide is an interesting material to study since its discovery in the form of magnetite. It can exist in many phases such as hematite and maghemite, this unique nature has put it as a potential candidate in various applications. The aim of this work is to study the influence of different precursor concentrations on the microstructural and magnetic properties of iron oxide thin film. All samples were prepared via the sol-gel method followed by a spin coating technique on quartz substrates. Iron oxide films were confirmed as maghemite phase from X-ray diffraction patterns. The film morphology was examined by a field emission scanning electron microscope and it showed non-systematic value of average grain size and film thickness throughout the study. Hysteresis loop further confirmed that maghemite is a magnetic material when it was characterized by a vibrating sample magnetometer. The coercivity did not show any correlation with molarity. Nevertheless, it increased as the precursor concentration of the film increased due to the domain behaviour. In conclusion, maghemite thin films were successfully synthesized by the sol-gel method with different precursor concentrations in this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2005

Probabilistic Fracture Mechanics Analysis of the Orbiter's LH2 Feedline Flowliner

Work performed by Southwest Research Institute (SwRI) as part of an Independent Technical Assessment (ITA) for the NASA Engineering and Safety Center (NESC) is summarized. The ITA goal was to establish a flight rationale in light of a history of fatigue cracking due to flow induced vibrations in the feedline flowliners that supply liquid hydrogen to the space shuttle main engines. Prior deterministic analyses using worst-case assumptions predicted failure in a single flight. The current work formulated statistical models for dynamic loading and cryogenic fatigue crack growth properties, instead of using worst-case assumptions. Weight function solutions for bivariant stressing were developed to determine accurate crack "driving-forces". Monte Carlo simulations showed that low flowliner probabilities of failure (POF = 0.001 to 0.0001) are achievable, provided pre-flight inspections for cracks are performed with adequate probability of detection (POD)-specifically, 20/75 mils with 50%/99% POD. Measurements to confirm assumed POD curves are recommended. Since the computed POFs are very sensitive to the cyclic loads/stresses and the analysis of strain gage data revealed inconsistencies with the previous assumption of a single dominant vibrant mode, further work to reconcile this difference is recommended. It is possible that the unaccounted vibrational modes in the flight spectra could increase the computed POFs.

Bonacuse, Peter J.↗
DOE OSTI2021

Solvent and Temperature Effects on Photoinduced Proton-Coupled Electron Transfer in the Marcus Inverted Region

Concerted proton-coupled electron transfer (PCET) in the Marcus inverted region was recently demonstrated. Understanding the requirements for such reactivity is fundamentally important and holds promise as a design principle for solar energy conversion systems. Herein, we investigate the solvent polarity and temperature dependence of photoinduced proton-coupled charge separation (CS) and charge recombination (CR) in anthracene–phenol–pyridine triads: 1 (10-(4-hydroxy-3-(4-methylpyridin-2-yl)benzyl)anthracene-9-carbonitrile) and 2 (10-(4-hydroxy-3-(4-methoxypyridin-2-yl)benzyl)anthracene-9-carbonitrile). Both the CS and CR rate constants increased with increasing polarity in acetonitrile:n-butyronitrile mixtures. The kinetics were semi-quantitatively analyzed where changes in dielectric and refractive index, and thus consequently changes in driving force (–ΔG°) and reorganization energy (λ), were accounted for. The results were further validated by fitting the temperature dependence, from 180 to 298 K, in n-butyronitrile. The analyses support previous computational work where transitions to proton vibrational excited states dominate the CR reaction with a distinct activation free energy (ΔG* CR ~ 140 meV). However, the solvent continuum model fails to accurately describe the changes in ΔG° and λ with temperature via changes in dielectric constant and refractive index. Satisfactory modeling was obtained using the results of a molecular solvent model, which predicts that λ decreases with temperature, opposite to that of the continuum model. To further assess the solvent polarity control in the inverted region, the reactions were studied in toluene. Nonpolar solvents decrease both ΔG° CR and λ, slowing CR into the nanosecond time regime for 2 in toluene at 298 K. This demonstrates how PCET in the inverted region may be controlled to potentially use proton-coupled CS states for efficient solar fuel production and photoredox catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Molecular mechanism and binding free energy of doxorubicin intercalation in DNA

The intercalation process of binding doxorubicin (DOX) in DNA is studied by extensive MD simulations. Many molecular factors that control the binding affinity of DOX to DNA to form a stable complex are inspected and quantified by employing continuum solvation models for estimating the binding free energy. The modified MM-PB(GB)SA methodology provides a complete energetic profile of Δ G ele , Δ G vDW , Δ G polar , Δ G non-polar , T Δ S total , Δ G deform , Δ G con , and Δ G ion . To identify the sequence specificity of DOX, two different DNA sequences, d(CGATCG) or DNA1 and d(CGTACG) or DNA2, with one molecule (1 : 1 complex) or two molecule (2 : 1 complex) configurations of DOX were selected in this study. Our results show that the DNA deformation energy (Δ G deform ), the energy cost from translational and rotational entropic contributions ( T Δ S tran+rot ), the total electrostatic interactions (Δ G polar-PB/GB + Δ G ele ) of incorporation, the intramolecular electrostatic interactions (Δ G ele ) and electrostatic polar solvation interactions (Δ G polar-PB/GB ) are all unfavorable to the binding of DOX to DNA. However, they are overcome by at least five favorable interactions: the van der Waals interactions (Δ G vDW ), the non-polar solvation interaction (Δ G non-polar ), the vibrational entropic contribution ( T Δ S vib ), and the standard concentration dependent free energies of DOX (Δ G con ) and the ionic solution (Δ G ion ). Specifically, the van der Waals interaction appears to be the major driving force to form a stable DOX–DNA complex. We also predict that DOX has stronger binding to DNA1 than DNA2. The DNA deformation penalty and entropy cost in the 2 : 1 complex are less than those in the 1 : 1 complex, thus they indicate that the 2 : 1 complex is more stable than the 1 : 1 complex. Here, we have calculated the total binding free energy (BFE) (Δ G t-sim ) using both MM-PBSA and MM-GBSA methods, which suggests a more stable DOX–DNA complex at lower ionic concentration. The calculated BFE from the modified MM-GBSA method for DOX–DNA1 and DOX–DNA2 in the 1 : 1 complex is –9.1 and –5.1 kcal mol –1 respectively. The same quantities from the modified MM-PBSA method are –12.74 and –8.35 kcal mol –1 respectively. The value of the total BFE Δ G t-sim in the 1 : 1 complex is in reasonable agreement with the experimental value of –7.7 ± 0.3 kcal mol –1 .

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

Flexocaloric effect in superelastic materials

We present a combined theoretical–experimental study of flexocaloric effects in superelastic materials exhibiting structural transitions. We study a Ginzburg–Landau model combined with a vibrational model for a beam near a ferroelastic transition loaded with a three-point bending setup. We also perform experiments on a Cu–Al–Ni single crystal undergoing a martensitic transition. We measure bent beam profiles, vertical force vs vertical deflection during a slow isothermal process, time evolution of the bending and unbending amplitudes, and the evolution of temperature profiles. We also compute the evolution of heat source and heat sink profiles. Finally, we study the location of acoustic emission events during the bending/unbending experiment. Our observations are consistent with the model predictions and allow us to identify the main physical parameters relevant for flexocaloric applications.

36 MATERIALS SCIENCE↗
NASA NTRS1987

An investigation of the damping phenomena in wire rope isolators

Early investigations into analytically modeling the dynamics of wire rope vibration isolators are described. Results from both very simple and very complex models are shown. The dynamic model which has the best agreement to date with simple one-dimensional experiments is one which includes a Coulomb friction force which varies with frequency. There are many yet unexplained phenomena, however. The fundamentals which underly multistrand NASTRAN models are given, and some early results are shown. An application simulation is briefly described, as is ongoing research.

Cutchins, M. A.↗
NASA NTRS1989

A seal test facility for the measurement of isotropic and anisotropic linear rotordynamic characteristics

A new seal test facility for measuring high-pressure seal rotor-dynamic characteristics has recently been made operational at Case Western Reserve University (CWRU). This work is being sponsored by the Electric Power Research Institute (EPRI). The fundamental concept embodied in this test apparatus is a double-spool-shaft spindle which permits independent control over the spin speed and the frequency of an adjustable circular vibration orbit for both forward and backward whirl. Also, the static eccentricity between the rotating and non-rotating test seal parts is easily adjustable to desired values. By accurately measuring both dynamic radial displacement and dynamic radial force signals, over a wide range of circular orbit frequency, one is able to solve for the full linear-anisotropic model's 12 coefficients rather than the 6 coefficients of the more restrictive isotropic linear model. Of course, one may also impose the isotropic assumption in reducing test data, thereby providing a valid qualification of which seal configurations are well represented by the isotropic model and which are not. In fact, as argued in reference (1), the requirement for maintaining a symmetric total system mass matrix means that the resulting isotropic model needs 5 coefficients and the anisotropic model needs 11 coefficients.

Adams, M. L.↗