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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Learning-based Computational Study of the Thermodynamic, Structural, and Dynamic Properties of Molten Salt at the Atomic and Electronic Scale and Experimental Validations (Final Report for Project 19-16909)

The project completed several milestones related to the work scope to determine thermophysical properties of the molten salt FLiNaK. A combined approach to integrate advanced computations with neutron scattering experimental interrogation was used to quantify the structure and mass transport of pure FLiNaK and FLiNaK with additives. The additives investigated included Ce, Cs, Zr, and Cr. The primary outcome of the computational work was the development of a neutral network force field interatomic potential (referred to as the NNFF model in this document). The computational work also involved ab initio calculations to determine the ground truth and molecular dynamics simulations to provide computational analogs to the experimental campaign. The experimental work used enriched F 7 LiNaK prepared by Argonne National Laboratory. The use of enriched F 7 LiNaK reduced parasitic neutron absorption and significantly improved data collection and data quality. Several graduate students were supported during the course of the project, which included a one year no-cost extension. These students were trained in advanced computational methods, advanced neutron scattering methods, neutron scattering data analysis and interpretation, and molten salt sample preparation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1991

PDEMOD: Software for control/structures optimization

Because of the possibility of adverse interaction between the control system and the structural dynamics of large, flexible spacecraft, great care must be taken to ensure stability and system performance. Because of the high cost of insertion of mass into low earth orbit, it is prudent to optimize the roles of structure and control systems simultaneously. Because of the difficulty and the computational burden in modeling and analyzing the control structure system dynamics, the total problem is often split and treated iteratively. It would aid design if the control structure system dynamics could be represented in a single system of equations. With the use of the software PDEMOD (Partial Differential Equation Model), it is now possible to optimize structure and control systems simultaneously. The distributed parameter modeling approach enables embedding the control system dynamics into the same equations for the structural dynamics model. By doing this, the current difficulties involved in model order reduction are avoided. The NASA Mini-MAST truss is used an an example for studying integrated control structure design.

Taylor, Lawrence W., Jr.↗
NASA NTRS2002

Aeroelastic Calculations of Quiet High- Speed Fan Performed

An advanced high-speed fan was recently designed under a cooperative effort between the NASA Glenn Research Center and Honeywell Engines & Systems. The principal design goals were to improve performance and to reduce fan noise at takeoff. Scale models of the Quiet High-Speed Fan were tested for operability, performance, and acoustics. During testing, the fan showed significantly improved noise characteristics, but a self-excited aeroelastic vibration known as flutter was encountered in the operating range. Flutter calculations were carried out for the Quiet High-Speed Fan using a three-dimensional, unsteady aerodynamic, Reynolds-averaged Navier-Stokes turbomachinery code named "TURBO." The TURBO code can accurately model the viscous flow effects that can play an important role in various aeroelastic problems such as flutter with flow separation, flutter at high loading conditions near the stall line (stall flutter), and flutter in the presence of shock and boundary-layer interaction. Initially, calculations were performed with no blade vibrations. These calculations were at a constant rotational speed and a varying mass flow rate. The mass flow rate was varied by changing the backpressure at the exit boundary of the computational domain. These initial steady calculations were followed by aeroelastic calculations in which the blades were prescribed to vibrate harmonically in a natural mode, at a natural frequency, and with a fixed interblade phase angle between adjacent blades. The AE-prep preprocessor was used to interpolate the in-vacuum mode shapes from the structural dynamics mesh onto the computational fluid dynamics mesh and to smoothly propagate the grid deformations from the blade surface to the interior points of the grid. The aeroelastic calculations provided the unsteady aerodynamic forces on the blade surface due to blade vibrations. These forces were vector multiplied with the structural dynamic mode shape to calculate the work done on the blade during one vibration period, then this result was converted to an aerodynamic damping. Flutter occurs when the aerodynamic damping becomes negative, if structural damping is ignored. The results of these aeroelastic calculations are summarized in this plot of aerodynamic damping versus mass flow rate at a constant rotational speed. As the backpressure is increased, the mass flow rate through the fan decreases and the fan operating point moves towards the stall line. The aeroelastic calculations showed that the aerodynamic damping decreases as the stall line is approached, as observed during testing. In addition, the aeroelastic calculations with the TURBO code correctly predicted the aeroelastic parameters: the most unstable vibration mode and interblade phase angle, as observed during testing. The Quiet High-Speed Fan demonstrated significant noise reductions during testing, but flutter imposed limits on its operating range. The accurate calculation of the aeroelastic characteristics using the TURBO code is a significant step toward eliminating flutter from the operating range and toward realizing the benefits of reduced fan noise. The aeroelastic calculations described here were performed under a grant by University of Toledo researchers in collaboration with Glenn's researchers.

Bakhle, Milind A.↗
DOE OSTI2018

DNA-binding induced conformational change of c-Myb R2R3 analyzed using diffracted X-ray tracking

Highlights: • DNA-binding protein, c-Myb R2R3, largely fluctuates in solution. • We evaluated structural dynamics of R2R3 using diffracted X-ray tracking (DXT). • The flexibility of R2R3 is decreased upon the DNA binding. • We could determine the DNA-binding energies of R2R3 using DXT. Previous structural analyses have shown that R2R3, the minimum unit of the DNA-binding domain of the transcriptional factor c-Myb, is largely flexible in solution, and changes to a more rigid structure upon DNA binding. In this study, we evaluated the structural dynamics using the diffracted X-ray tracking method, in correlation with DNA-binding abilities under different salt conditions, and compared them with the previous results. The resultant curve of the mean square angular displacements (MSD) clearly showed that the flexibility of R2R3 was decreased upon DNA binding, and the DNA-binding energies determined using the angular diffusion coefficients were in good agreement with those determined using isothermal titration calorimetry. The results of the MSD curves also indicate that the translational length reduces by approximately half upon DNA binding.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Dynamics of Liquid Lithium Atoms. Pseudopotential and EAM-Type Potentials

It is generally accepted that the complicated character of the interparticle interaction in liquid metals is reproduced most correctly by many-particle potentials of the EAM-type (embedded atom model) interparticle interaction. It is shown that in the case of liquid lithium near the melting temperature (T{sub m} = 453.65 K), the spherical pseudopotential provides a better agreement with experimental data on elastic and inelastic X-ray scattering as compared to the known EAM potentials. The calculations of the dynamic structural factor and spectral densities of the longitudinal and transverse atomic currents lead to the conclusion that although the pseudopotential and EAM potentials generate a certain qualitative correspondence in the features of collective dynamics, the interparticle interaction of the spherical type reproduces correctly the general form of the dynamic structure factor in a certain wavenumber range, as well as the dispersion relation for collective excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1997

Structure and Dynamics of Coronal Plasmas

During the past year this grant has funded research in the interaction between magnetic fields and the hot plasma in the solar outer atmosphere. The following is a brief summary of the published papers, abstracts and talks which have been supported. The paper 'Coronal Structures Observed in X-rays and H-alpha Structures' was published in the Kofu Symposium proceedings. The study analyzes cool and hot behavior of two x-ray events, a small flare and a surge. We find that a large H-alpha surge appears in x-rays as a very weak event, while a weak H-alpha feature corresponds to the brightest x-ray emission on the disk at the time of the observation. Calculations of the heating necessary to produce these signatures, and implications for the driving and heating mechanisms of flares vs. surges are presented. A copy of the paper is appended to this report. The paper 'Differential Magnetic Field Shear in an Active Region' has been published in The Astrophysical Journal. We have compared the 3D extrapolation of magnetic fields with the observed coronal structure in an active region. Based on the fit between observed coronal structure throughout the volume of the region and the calculated magnetic field configurations, we propose a differential magnetic field shear model for this active region. The decreasing field shear in the outer portions of the AR may indicate a continual relaxation of the magnetic field with time, corresponding to a net transport of helicity outward. The paper 'Difficulties in Observing Coronal Structure' has been accepted for publication in the journal Solar Physics. In this paper we discuss the evidence that the temperature and density structure of the corona are far more complicated than had previously been thought. The discussion is based on five studies carried out by our group on coronal plasma properties, showing that any one x-ray instrument does see all of the plasma present in the corona, that hot and cool material may appear to be co-spatial at a given location in the corona, and that simple magnetic field extrapolations provide only a poor fit to the observed structure. A copy of the paper is appended to this report.

Golub, Leon↗
DOE OSTI2025

Imaging the photochemistry of cyclobutanone using ultrafast electron diffraction: Experimental results

We investigated the ultrafast structural dynamics of cyclobutanone following photoexcitation at λ = 200 nm using gas-phase megaelectronvolt ultrafast electron diffraction. Our investigation complements the simulation studies of the same process within this special issue. It provides information about both electronic state population and structural dynamics through well-separable inelastic and elastic electron scattering signatures. We observe the depopulation of the photoexcited S 2 state of cyclobutanone with n3s Rydberg character through its inelastic electron scattering signature with a time constant of (0.29 ± 0.2) ps toward the S 1 state. The S 1 state population undergoes ring-opening via a Norrish Type-I reaction, likely while passing through a conical intersection with S 0 . The corresponding structural changes can be tracked by elastic electron scattering signatures. These changes appear with a delay of (0.14 ± 0.05) ps with respect to the initial photoexcitation, which is less than the S 2 depopulation time constant. This behavior provides evidence for the ballistic nature of the ring-opening once the S 1 state is reached. The resulting biradical species react further within (1.2 ± 0.2) ps via two rival fragmentation channels yielding ketene and ethylene, or propene and carbon monoxide. Furthermore, our study showcases the value of both gas-phase ultrafast diffraction studies as an experimental benchmark for nonadiabatic dynamics simulation methods and the limits in the interpretation of such experimental data without comparison with such simulations.

Carbon monoxide↗
NASA NTRS1972

Automated design optimization of supersonic airplane wing structures under dynamic constraints

The problems of the preliminary and first level detail design of supersonic aircraft wings are stated as mathematical programs and solved using automated optimum design techniques. The problem is approached in two phases: the first is a simplified equivalent plate model in which the envelope, planform and structural parameters are varied to produce a design, the second is a finite element model with fixed configuration in which the material distribution is varied. Constraints include flutter, aeroelastically computed stresses and deflections, natural frequency and a variety of geometric limitations.

Fox, R. L.↗
DOE OSTI2026

Structure and Dynamics of Water Confined in Transition Metal Carbide MXenes: Implications for Electrochemical Applications

Two-dimensional transition metal carbides and nitrides (MXenes) are an important family of electrochemically active 2D materials. MXenes combine high conductivity with hydrophilicity, making them attractive materials for many applications, including electrochemical energy storage, sensing, desalination, and others. In order to better understand the role of structure on MXene properties, here, we investigated the vibrational properties and diffusion of water in MXenes with differing layer thicknesses and transition metal compositions using inelastic, quasi-elastic, and small-angle neutron scattering. We found that all of the Mo-containing MXenes studied here exhibited comparable vibrational dynamics and diffusion coefficients to each other and to previously studied Ti 3 C 2 T x . However, Ti 2 CT x was distinguished by its faster diffusion and more hydroxyl groups compared to the other MXenes studied. These results can help guide the selection of appropriate MXenes for energy storage and electrochemical water purification applications.

MXenes↗
NASA NTRS1972

Automated design optimization of supersonic airplane wing structures under dynamic constraints.

The problems of the preliminary and first level detail design of supersonic aircraft wings are stated as mathematical programs and solved using automated optimum design techniques. The problem is approached in two phases: the first is a simplified equivalent plate model in which the envelope, plan form and structural parameters are varied to produce a design, the second is a finite element model with fixed configuration in which the material distribution is varied. Constraints include flutter, aeroelastically computed stresses and deflections, natural frequency and a variety of geometric limitations. The Phase I objective is a combination of weight and drag while Phase II is a weight minimization.

Fox, R. L.↗
NASA NTRS2014

Integrated Aeromechanics with Three-Dimensional Solid-Multibody Structures

A full three-dimensional finite element-multibody structural dynamic solver is coupled to a three-dimensional Reynolds-averaged Navier-Stokes solver for the prediction of integrated aeromechanical stresses and strains on a rotor blade in forward flight. The objective is to lay the foundations of all major pieces of an integrated three-dimensional rotor dynamic analysis - from model construction to aeromechanical solution to stress/strain calculation. The primary focus is on the aeromechanical solution. Two types of three-dimensional CFD/CSD interfaces are constructed for this purpose with an emphasis on resolving errors from geometry mis-match so that initial-stage approximate structural geometries can also be effectively analyzed. A three-dimensional structural model is constructed as an approximation to a UH-60A-like fully articulated rotor. The aerodynamic model is identical to the UH-60A rotor. For preliminary validation measurements from a UH-60A high speed flight is used where CFD coupling is essential to capture the advancing side tip transonic effects. The key conclusion is that an integrated aeromechanical analysis is indeed possible with three-dimensional structural dynamics but requires a careful description of its geometry and discretization of its parts.

Three-Dimensional↗
NASA NTRS2009

Prominence Structure and Dynamics

Nonerupting prominences are not dull, static objects. Rather, they are composed of fine-scale blobs and threads that are highly dynamic, often appearing to travel in opposite directions on adjacent tracks (denoted counterstreaming). Because the plasma is largely constrained to travel along the magnetic field, these cool, dense features can serve as tracers of the prominence magnetic structure, a valuable resource in view of the long-standing difficulty of observing the coronal field. Conversely, greater understanding of the fundamental magnetic geometry of filament channels can provide important constraints on the physical processes governing the accumulation, support, motion, and eruption of the cool plasma. Despite over a century of detailed observations, large gaps remain in our knowledge of filament channel/plasma formation and evolution. Resolving these issues will shed light on the physics of coronal heating, helicity transport throughout the solar cycle, and the origins of eruptive activity on the Sun. I will discuss the leading models for the magnetic and plasma structure, and outline how new observations and theory /modeling could solve long-standing uncertainties regarding this majestic solar phenomenon.

Karpen, Judy T.↗
DOE OSTI2019

Epitaxial TiO x Surface in Ferroelectric BaTiO 3 : Native Structure and Dynamic Patterning at the Atomic Scale

Surfaces and interfaces of ferroelectric oxides exhibit enhanced functionality, and therefore serve as a platform for novel nano and quantum technologies. Experimental and theoretical challenges associated with examining the subtle electro-chemo-mechanical balance at metal-oxide surfaces have hindered the understanding and control of their structure and behavior. Here, we combine advanced electron-microscopy and first-principles thermodynamics methods to reveal the atomic-scale chemical and crystallographic structure of the surface of the seminal ferroelectric BaTiO 3 . Here, we show that the surface is composed of a native < 2-nm thick TiOx rock-salt layer in epitaxial registry with the BaTiO 3 . Using electron-beam irradiation, we successfully patterned artificially TiO x sites with sub-nanometer resolution, by inducing Ba escape. Therefore, our work offers electro-chemo-mechanical insights into ferroelectric surface behavior in addition to a method for scalable high-resolution beam-induced chemical lithography for selectively driving surface phase transitions, and thereby functionalizing metal-oxide surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Redox Mediated Control of Electrochemical Potential in Liquid Cell Electron Microscopy

Liquid cell electron microscopy enables the study of nanoscale transformations in solvents with high spatial and temporal resolution, but for the technique to achieve its potential requires a new level of control over the reactivity caused by radical generation under electron beam irradiation. An understanding of how to control electron-solvent interactions is needed to further advance the study of structural dynamics for complex materials at the nanoscale. Additionally, we developed an approach that scavenges radicals with redox species that form well-defined redox couples and control the electrochemical potential in situ . This approach enables the observation of electrochemical structural dynamics at near-atomic resolution with precise control of the liquid environment. Analysis of nanocrystal etching trajectories indicates that this approach can be generalized to several chemical systems. The ability to simultaneously observe heterogeneous reactions at near-atomic resolution and precisely control the electrochemical potential enables the fundamental study of complex nanoscale dynamics with unprecedented detail.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Structure and dynamics of a solar flare - X-ray and XUV observations

Results are presented for an analysis of X-ray and XUV emission from the solar flare that occurred on September 5, 1973. X-ray emission was monitored by ionization chambers aboard the Solrad 9 satellite, and the XUV emission in the wavelength range 170-345 A was recorded by a slitless objective-grating spectroheliograph on Skylab. The physical parameters of the flare plasma, including temperature, density, volume, and magnetic-field configuration, are evaluated. A geometrical loop model is used to determine the volumes of the various emitting regions. The structure of the flare in the rise and decay phases is examined in detail, and conclusions about the effect of various dynamic processes in the flare plasma are made. A major finding is that continued energy release is required well into the flare decay phase. In the rise phase, energy is apparently released only along a small portion of a loop, and in the decay phase apparently throughout most of its length.

Dere, K. P.↗
DOE OSTI2019

Magnetized interstellar molecular clouds – II. The large-scale structure and dynamics of filamentary molecular clouds

Abstract We perform ideal magnetohydrodynamics high-resolution adaptive mesh refinement simulations with driven turbulence and self-gravity and find that long filamentary molecular clouds are formed at the converging locations of large-scale turbulence flows and the filaments are bounded by gravity. The magnetic field helps shape and reinforce the long filamentary structures. The main filamentary cloud has a length of ∼4.4 pc. Instead of a monolithic cylindrical structure, the main cloud is shown to be a collection of fibre/web-like substructures similar to filamentary clouds such as L1495. Unless the line-of-sight is close to the mean field direction, the large-scale magnetic field and striations in the simulation are found roughly perpendicular to the long axis of the main cloud, similar to L1495. This provides strong support for a large-scale moderately strong magnetic field surrounding L1495. We find that the projection effect from observations can lead to incorrect interpretations of the true three-dimensional physical shape, size, and velocity structure of the clouds. Helical magnetic field structures found around filamentary clouds that are interpreted from Zeeman observations can be explained by a simple bending of the magnetic field that pierces through the cloud. We demonstrate that two dark clouds form a T-shaped configuration that is strikingly similar to the infrared dark cloud SDC13, leading to the interpretation that SDC13 results from a collision of two long filamentary clouds. We show that a moderately strong magnetic field (${{\cal M}_{\rm A}}\sim 1$) is crucial for maintaining a long and slender filamentary cloud for a long period of time ∼0.5 Myr.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1980

The opportunities offered by SCADM for the study of surface phenomena related to interior structure and dynamics

The physical processes to be probed by experiments may be grouped as large scale flows, oscillations, and chromospheric/coronal diagnostics. While the fundamental concerns and observational equipments are similar within each class, different investigations may tell different things about the Sun. Observational requirements are listed for experiments to study (1) plasma-magnetic field interactions; (2) interior structure via oscillations; (3) chromospheric and coronal tracers; (4) rotation, meridional flows, and giant cells; (5) the depth dependence of rotation; (6) EUV luminosity; (7) intensity fluctuations and tracers; and (8) diameter oscillations, the effects of noise and timestring on experiment results are assessed.

Brown, T. M.↗
DOE OSTI2020

MECHANICAL SHOCK AND VIBRATION ANALYSIS OF SPENT NUCLEAR FUEL CARRIED BY THE ATLAS RAILCAR

Researchers at Pacific Northwest National Laboratory have completed a structural-dynamic analysis of spent nuclear fuel subjected to the mechanical shock and vibration environment that is anticipated during normal conditions of transport in casks carried by the Atlas railcar. The Atlas railcar is a new railcar design that is being developed specifically for the purpose of carrying spent nuclear fuel casks. The analysis used best-estimate railcar dynamics models of the Atlas railcar and considered 17 different spent nuclear fuel transportation cask systems, representing the current fleet of cask options. This work used NUCARS, a specialized railcar dynamics explicit finite element code to calculate railcar dynamic response to prescribed speeds and track configurations. The railcar dynamics models provided cask transient motion for a wide range of speeds and track conditions, generating a relatively large database of potential cask motion. All of the cask motion transients were then applied as loading conditions to LS-DYNA structural-dynamic models of a single fuel rod. The analyses predict that the Equipos Nucleares S.A./U.S. Department of Energy (ENSA/DOE) multimodal transportation test of 2017 provided a relatively stronger vibration environment than is expected from the Atlas railcar. This paper describes the analysis methods, the analysis results, and compares the results of the Atlas transportation analysis to the test results and analyses of the ENSA/DOE multimodal transportation test of 2017.

Klymyshyn, Nicholas A.↗