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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unraveling the Nature of Vibrational Dynamics in CsPbI 3 by Inelastic Neutron Scattering and Molecular Dynamics Simulations

Cesium lead iodide, CsPbI 3 , is an optoelectronic material of large interest for various technological applications; however, fundamental questions surrounding the vibrational dynamics of this material, especially regarding its role in structural phase transitions, remain to be elucidated. Here, in a combined variable temperature inelastic neutron scattering (INS) and machine-learning based molecular dynamics (MD) simulation study, we show that the stable phase at room temperature, i.e., the nonperovskite δ-phase, exhibits phonon modes with weak anharmonicity with only a weak temperature dependence from 10 K all the way up to the transition to the cubic perovskite α-phase at approximately 600 K. In contrast, the α-phase features anharmonic and damped vibrational dynamics, mainly associated with overdamped tilting motions of the PbI 6 octahedra. Crucially, these overdamped tilting modes, which relate to the tetragonal and orthorhombic distorted perovskite phases (β- and γ-phase, respectively) formed at lower temperatures, stay overdamped by more than 100 K above the respective phase transition. This suggests a flat energy landscape of octahedral tilting motions in α-CsPbI3 and with structural fluctuations on the picosecond time scale with tilting patterns that locally resemble the structure of the β- and γ-phases. The vibrational dynamics of α-CsPbI 3 are also characterized by pronounced anharmonic motions with large thermal displacements of the Cs + ions, but these modes remain underdamped at 600 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

ChemEnv : a fast and robust coordination environment identification tool

Coordination or local environments have been used to describe, analyze and understand crystal structures for more than a century. Here, a new tool called ChemEnv, which can identify coordination environments in a fast and robust manner, is presented. In contrast to previous tools, the assessment of the coordination environments is not biased by small distortions of the crystal structure. Its robust and fast implementation enables the analysis of large databases of structures. The code is available open source within the pymatgen package and the software can also be used through a web app available on http://crystaltoolkit.org through the Materials Project.

42 ENGINEERING↗
NASA NTRS1981

Prediction of laminar and turbulent primary and secondary flows in strongly curved ducts

The analysis is based on a primary secondary velocity decomposition in a given coordinate system, and leads to approximate governing equations which correct an a priori inviscid solution for viscous effects, secondary flows, total pressure distortion, heat transfer, and internal flow blockage and losses. Solution of the correction equations is accomplished as an initial value problem in space using an implicit forward marching technique. The overall solution procedure requires significantly less computational effort than Navier-Stokes algorithms. The solution procedure is effective even with the extreme local mesh resolution which is necessary to solve near wall sublayer regions in turbulent flow calculations. Computed solutions for both laminar and turbulent flow compared very favorably with available analytical and experimental results. The overall method appears very promising as an economical procedure for making detailed predictions of viscous primary and secondary flows in highly curved passages.

Kreskovsky, J. P.↗
NASA NTRS1986

White-light movies of the solar photosphere from the SOUP instrument on Spacelab

Initial results are presented on solar granulation, pores and sunspots from the white-light films obtained by the Solar Optical Universal Polarimeter (SOUP) instrument in Spacelab 2. Several hours of movies were taken at various disk and limb positions in quiet and active regions. The images are diffraction-limited at 0.5 arcsec resolution and are, of course, free of atmospheric seeing and distortion. Properties of the granulation in magnetic and nonmagnetic regions are compared and are found to differ significantly in size, rate of intensity variation, and lifetime. In quiet sun, on the order of fifty-percent of the area has at least one 'exploding granule' occurring in it during a 25-min period. Local correlation tracking has detected several types of transverse flows, including systematic outflow from the penumbral boundary of a spot, motion of penumbral filaments, and cellular flow patterns of supergranular and mesogranular size. Feature tracking has shown that, in the quiet sun, the average granule fragment has a velocity of about one kilometer/second.

Title, A. M.↗
NASA NTRS1993

Localization using nonindividualized head-related transfer functions

The paper investigates the accuracy of localization by inexperienced listeners of the direction (azimuth and elevation) of wideband noisebursts presented in the free-field or over headphones, with headphone stimuli being synthesized using head-related transfer functions (HRTFs) from a representative subject of Wightman and Kistler (1989). Many subjects showed high rates of front-back and up-down confusions that increased significantly for virtual sources compared to the free-field stimuli. When confusions were resolved, localization of virtual sources was quite accurate and comparable to the free-field sources for 12 out of 16 subjects. The results of this study suggest that, while the interaural cues to horizontal location are robust, the spectral cues considered important for resolving location along a particular cone-of-confusion are distorted by a synthesis process that uses nonindividualized HRTFs.

Wenzel, Elizabeth M.↗
NASA NTRS1995

Analysis of helioseismic wave fields to examine horizontal structures

A preliminary inversion procedure that carries out a local area analysis on simulated oscillation data is presented and discussed. The procedure is carried out in order to deduce two dimensional subsurface structures in the horizontal plane, representative of thermal variations, as a function of depth. The aim is the evaluation of an inversion procedure that utilizes information gained from the phase distortion occurring in artificially generated acoustic waves in order to determine the subsurface thermal structure. These distortions would naturally occur as a direct consequence of convective motions in the solar interior.

Julien, K. A.↗
NASA NTRS2002

Aspects of Supercritical Turbulence: Direct Numerical Simulation of O2/H2 and C7H16/N2 Temporal Mixing Layers

Results from Direct Numerical Simulations of temporal, supercritical mixing layers for two species systems are analyzed to elucidate species-specific turbulence aspects. The two species systems, O2/H2 and C7HG16/N2, have different thermodynamic characteristics; thus, although the simulations are performed at similar reduced pressure (ratio of the pressure to the critical pressure), the former system is dose to mixture ideality and has a relatively high solubility with respect to the latter, which exhibits strong departures from mixture ideality Due to the specified, smaller initial density stratification, the C7H16/N2 layers display higher growth and increased global molecular mixing as well as larger turbulence levels. However, smaller density gradients at the transitional state for the O2/H2 system indicate that on a local basis, the layer exhibits an enhanced mixing, this being attributed to the increased solubility and to mixture ideality. These thermodynamic features are shown to affect the irreversible entropy production (i.e. the dissipation), which is larger for the O2/H2 layer and is primarily concentrated in high density-gradient magnitude regions that are distortions of the initial density stratification boundary. In contrast, the regions of largest dissipation in the C7H16/N2 layer are located in high density-gradient magnitude regions resulting from the mixing of the two fluids.

Bellan, J.↗
DOE OSTI2023

A small-box approach to the local crystal structure of Y 3 NbO 7

The local crystal structure of Y 3 NbO 7 was probed using neutron total scattering. Five different structural models were fit to the experimental pair distribution function of this material up to 15 Å. Fits of defect fluorite (Fm$\overline{3}$m), pyrochlore (Fd$\overline{3}$m), and orthorhombic C weberite models (C222 1 ) were attempted based on prior structural investigations of Y 3 NbO 7 and related fluorite-based materials. Orthorhombic P weberite (P222 1 ) and monoclinic weberite models (P112 1 ) were derived via symmetry reduction of the orthorhombic C weberite structure. All models except monoclinic weberite failed to reproduce the experimental pair distribution function. Misfits were clearly visible for peaks arising from atom pairs within the first coordination shell (defect fluorite and pyrochlore) and beyond (orthorhombic C and P weberite). By contrast, monoclinic weberite (γ ≈ 91.8°) provided an excellent fit, with no major misfits observed. This unit cell features distorted YO 8 dodecahedra, YO 7 monocapped octahedra, and NbO 6 octahedra as building blocks. Comparison between the topologies of the cationic and anionic substructures in monoclinic weberite and its parent orthorhombic C structure revealed displacements of the metal atoms along the [100] direction and a less compact spatial distribution of oxygen atoms along the a axis. In conclusion, the monoclinic weberite model presented herein may serve as a starting point to revisit structural modeling of fluorite-based materials with challenging local structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

High level continuity for coordinate generation with precise controls

Coordinate generation techniques with precise local controls have been derived and analyzed for continuity requirements up to both the first and second derivatives, and have been projected to higher level continuity requirements from the established pattern. The desired local control precision was obtained when a family of coordinate surfaces could be uniformly distributed without a consequent creation of flat spots on the coordinate curves transverse to the family. Relative to the uniform distribution, the family could be redistributed from an a priori distribution function or from a solution adaptive approach, both without distortion from the underlying transformation which may be independently chosen to fit a nontrivial geometry and topology.

Eiseman, P. R.↗
NASA NTRS1988

On the relation between photospheric flow fields and the magnetic field distribution on the solar surface

Using the technique of local correlation tracking on a 28 minute time sequence of white-light images of solar granulation, the horizontal flow field on the solar surface is measured. The time series was obtained by the Solar Optical Universal Polarimeter (SOUP) on Spacelab 2 (Space Shuttle flight 51-F) and is free from atmospheric blurring and distortion. The SOUP flow fields have been compared with carefully aligned magnetograms taken over a nine hour period at the Big Bear Solar Observatory before, during, and after the SOUP images. The flow field and the magnetic field agree in considerable detail: vectors which define the flow of the white-light intensity pattern (granulation) point toward magnetic field regions, magnetic fields surround flow cells, and magnetic features move along the flow arrows. The projected locations of free particles ('corks') in the measured flow field congregate at the same locations where the magnetic field is observed.

Simon, George W.↗
DOE OSTI2025

Nanoscopic strain evolution in single-crystal battery positive electrodes

Single-crystal Ni-rich layered oxides (SC-NMC) with a grain-boundary-free configuration have effectively addressed the long-standing cracking issue of conventional polycrystalline Ni-rich materials (PC-NMC) in lithium-ion batteries, prompting a shift in optimization strategies. However, continued reliance on anisotropic lattice volume change—a well-established failure indicator in PC-NMC—as a metric for understanding strain and guiding compositional design for SC-NMC becomes controversial. Here, in this study, by leveraging multiscale diagnostic techniques, we unravelled the distinct nanoscopic strain evolution in SC-NMC during battery operation, challenging the conventional composition-driven strategies and mechanical degradation indicators used for PC-NMC. Through particle-level chemomechanical analysis, we reveal a decoupling between mechanical stability and lattice volume change in SC-NMC, identifying that structural instability in SC materials is primarily driven by multidimensional lattice distortions induced by kinetics-driven reaction heterogeneity and progressively deactivating chemical phases. Using this mechanical failure mode, we redefine the roles of cobalt and manganese in maintaining mechanical stability. Unlike cobalt’s detrimental role in PC-NMC, we find cobalt to be critical in enhancing the longevity of SC-NMC by mitigating localized strain along the extended diffusion pathway, whereas manganese exacerbates mechanical degradation.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Analysis and computation of three-dimensional flow in strongly curved ducts

Numerical solutions are presented for three-dimensional laminar and turbulent flow in curved ducts of rectangular cross section and significant curvature. The analysis is based on a primary-secondary velocity decomposition in a given coordinate system, and leads to approximate governing equations which correct an a priori inviscid solution for viscous effects, secondary flows, total pressure distortion, heat transfer, and internal flow blockage and losses. Solution of the correction equations is accomplished as an initial-value problem in space using an implicit forward-marching technique. The overall solution procedure requires significantly less computational effort than Navier-Stokes algorithms. The present solution procedure is effective even with the extreme local mesh resolution which is necessary to resolve near-wall sublayer regions in turbulent flow calculations. Computed solutions for both laminar and turbulent flow compare very favorably with available analytical and experimental results.

Kreskovsky, J. P.↗
NASA NTRS1983

Incidence angle effects on convected gust airfoil noise

An analysis is developed which predicts the influence of airfoil mean loading on noise generation due to convected gusts. The theory is based on a linearization of the exact inviscid equations about a nonuniform compressible mean flow and the solution is developed using singular perturbation techniques. The case of a flat plate airfoil, at incidence angle alpha, interacting with three-dimensional disturbances is analyzed. It is found that in the vicinity of the airfoil leading and trailing edges, local regions are present which scale on the disturbance wavelength, with the noise generation concentrated in these regions. Away from the airfoil edges, the mean flow variation is found to be slow compared to the disturbance wavelength and no significant noise generation occurs. The mean flow variation near the leading edge generates additional noise by distorting the convected gust. The cumulative effect of the airfoil mean loading in the trailing edge region produces a 0(1) phase shift between the disturbances on the upper and lower surfaces of the airfoil. A corresponding 0(1) decrease, compared to the alpha = 0 case, is found in the noise generated at the trailing edge.

Kerschen, E. J.↗
NASA NTRS1986

Intelligent information extraction from reflectance spectra Absorption band positions

A multiple high-order derivative analysis algorithm has been developed which can automatically extract absorption band positions from low-quality reflectance spectra with little degredation of accuracy. Overlapping bands with comparable widths and intensities can be resolved whose centers are as close as 0.3-0.5 W, with safer resolution limits of 0.6-1.0 W band center separations suggested for overlapping bands that are dissimilar. The segment length for smoothing is continually adjusted to about 0.5 W to minimize signal distortion, and a spectral pattern recognition algorithm predicts the signal spectrum and calculates approximate W across the spectrum using its second derivative. A single-pass cubic spline is applied to the smoothed data, and a sliding segment sixth-order polynomial is fit to the spectrum, with the length of the segment being continuously locally adjusted to 1.0 W across the spectrum. Good reliability and consistency of the algorithm is demonstrated with application to laboratory and earth-based telescope spectra.

Huguenin, R. L.↗
DOE OSTI2020

Hierarchy among the crystal lattice, charge density wave, and superconducting orders in transition metal dichalcogenides

Using high-energy x-ray scattering and large-scale three-dimensional (3D) structure modeling, in this study we investigate the relationship between the crystal lattice, charge density wave (CDW), and superconducting (SC) orders in transition metal dichalcogenides (TMDs). In particular, we systematically substitute Te for Se in Ta-Se-Te solid solutions, determine changes in their crystal lattice, and relate them to changes in the CDW transition temperature, $T_{CDW}$, and SC critical temperature, $T_c$ . We find that strong lattice distortions such as buckling of Ta layers are detrimental to the CDW and SC orders. The presence of a perfect lattice order in two dimensions is a prerequisite to the emergence of CDWs but insufficient to achieve a SC ordered state. For the SC order to emerge, the Ta sublattice should also appear periodic in 3D. Local chemical disorder may promote the SC order, and the perfectness of Ta coordination polyhedra is a factor contributing to its strength. A hierarchical relationship among the crystal lattice, CDW, and SC orders thus appears to exist in TMDs in a sense that different degrees of crystal lattice order-disorder promote and maintain the CDW and SC orders to a different extent, offering an opportunity to control the latter through modifying the former by rational design. Our findings are a step towards a better understanding of the correlation between lattice and electronic degrees of freedom in TMDs. We also demonstrate an efficient experimental approach to study them in fine detail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1995

Coronal loop formation resulting from photospheric convection

We have demonstrated the dynamic formation of coronal magnetic loops in three dimensions as a result of horizontal vortex-like convection on the photosphere. Localized plasma motions twist bipolar magnetic field lines which are tied to the dense photosphere by high electrical conductivity. The twists propagate into the corona along the field and create a narrow quasi-toroidal region where the field lines interwind. At the same time, this tubeline region rises in altitude, expands in cross section, and distorts into a slight S shape before settling into an equilibrium state. The MHD stability of such line-tied magnetic loop structures is directly exhibited by this dynamic simulation.

Hoven, G. Van↗
NASA NTRS1998

Superconductor-Mediated Modification of Gravity? AC Motor Experiments with Bulk YBCO Disks in Rotating Magnetic Fields

We have previously reported results using a high precision gravimeter to probe local gravity changes in the neighborhood of large bulk-processed high-temperature superconductors. Podkietnov, et al (Podkietnov, E. and Nieminen, R. (1992) A Possibility of Gravitational Force Shielding by Bulk YBa2 Cu3 O7-x Superconductor, Physica C, C203:441-444.) have indicated that rotating AC fields play an essential role in their observed distortion of combined gravity and barometric pressure readings. We report experiments on large (15 cm diameter) bulk YBCO ceramic superconductors placed in the core of a three-phase, AC motor stator. The applied rotating field produces up to a 12,000 revolutions per minute magnetic field. The field intensity decays rapidly from the maximum at the outer diameter of the superconducting disk (less than 60 Gauss) to the center (less than 10 Gauss). This configuration was applied with and without a permanent DC magnetic field levitating the superconducting disk, with corresponding gravity readings indicating an apparent increase in observed gravity of less than 1 x 10(exp -6)/sq cm, measured above the superconductor. No effect of the rotating magnetic field or thermal environment on the gravimeter readings or on rotating the superconducting disk was noted within the high precision of the observation. Implications for propulsion initiatives and power storage flywheel technologies for high temperature superconductors will be discussed for various spacecraft and satellite applications.

Noever, David A.↗
NASA NTRSDate not supplied

Innovative Features of NASA's Celestial Mapping System to Support Exploration in the Lunar South Pole

Introduction: NASA's Celestial Mapping System (CMS) is developed to address the need for 3D tools for planetary science investigations, mission planning, in-situ operations, in a 3D-first design constructed around a unified view of a planetary globe. At present CMS provides many critical functionalities that include 1) Equipment planning and optimized placement on Lunar surface 2) Line of sight (visibility ) analysis 3) Powerful measurement tools based on 3D terrain with realistic 3D models to represent rovers, astronauts and equipment 4) Visualization of de-rived mapping products (e.g. resource maps), and 5) Data engine for hosting new observations that are not available in other contemporary lunar data tools. CMS is built on the foundation of powerful NASA WorldWind globe engines. In near future, users will be able to simultaneously deploy CMS onto multiple hardware configurations and platforms such as Windows, Linux, iOS and Android. The users will also have the flexibility to update to the latest imagery and terrain datasets as they are being acquired (in real time) before and/or during the exploration mission. CMS is also capable of consumption and analysis of data from locally hosted and external sources. It supports Open Geospatial Consorti-um (OGC) data and file standards, with current integrations of datasets from the Astrogeology Science Center of USGS which include global and local data acquired from NASA (LRO, Clementine, Lunar Orbiter) and JAXA (SELENE/Kaguya) with the capability of integrating more datasets. With development experience in both the end-user application and planetary engine side, CMS is also able to adapt to newer Lunar cartography standards as they develop and become recognized by international geospatial panels. Overcoming Polar Distortions: 3D geospatial applications traditionally suffer from significant distortion of imagery at the poles due to following reasons – 1) distortions in the source imagery 2) Incompatible tessellation algorithm on the poles 3) map projections. In the lunar context, with the focus on the South pole, this is not acceptable. The CMS team is researching ways to address polar distortion of imagery with new tessellation algorithms and by reprojecting the data using projections that are more accurate in polar scenarios. Figure1 shows the potential error introduced by different tessellation methods, represented by the red and green circles for Shoemaker crater. There is ~2 Km difference in the placement of the crater. Line of Sight Analysis and Traverse Planning: We have developed a built-in line of sight analysis (LOS) tool in CMS that analyzes the terrain profile and obstructions and provides the visibility of a given terrain for a remote observer. Figure 2 shows the viewshed analysis on the PSR in Nobile region. The PSR was created with help of HORUS generated images. The yellow pin shows the observer location outside the PSR. The yellow area shows the visible part of PSR. The obstructed area with no visibility for the observer is shown in red. This analysis was ex-tended further to set different heights for various observers and then perform the viewshed analysis. Combining the different visibility profiles can help designing improved traverses within the crater.

Geospatial Mapping↗