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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Understanding the Role of Cesium on Chemical Complexity in Methylammonium-Free Metal Halide Perovskites

Mixed cesium- and formamidinium-based metal halide perovskites (MHPs) are emerging as ideal photovoltaic materials due to their promising performance and improved stability. While theoretical predictions suggest that a larger composition ratio of Cs (≈30%) aids the formation of a pure photoactive α-phase, high photovoltaic performances can only be realized in MHPs with moderate Cs ratios. In fact, elemental mixing in a solution can result in chemical complexities with non-equilibrium phases, causing chemical inhomogeneities localized in the MHPs that are not traceable with global device-level measurements. Thus, the chemical origin of the complexities and understanding of their effect on stability and functionality remain elusive. Herein, through spatially resolved analyses, the fate of local chemical structures, particularly the evolution pathway of non-equilibrium phases and the resulting local inhomogeneities in MHPs is comprehensively explored. It is illustrated that Cs-rich MHPs have substantial local inhomogeneities at the initial crystallization step, which do not fully convert to the α-phase and thereby compromise the optoelectronic performance of the materials. These fundamental observations allow the authors to draw a complete chemical landscape of MHPs including nanoscale chemical mechanisms, providing indispensable insights into the realization of a functional materials platform.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Nondestructive Visualization of Defects and Crack Propagation of Shuttle-Foam

Shuttle insulating foam is a low-density closed-cell solid-gas composite. A chief barrier to understanding foam loss has been extreme difficulties in nondestructively visualizing defects of the foam that is almost transparent to x-rays. Here we show that defects, crack propagation, and cell structure can be clearly and nondestructively observed by turning the density inhomogeneity across foam structures into a source for phase contrast imaging. This provides a new powerful way to help understand foam loss.

Hu, Zheng-Wei↗
DOE OSTI2023

Magnetic anisotropy and two-dimensional short-range chemical ordering in Ba 1−𝑥 ⁢Na 𝑥 ⁢Fe 2 ⁢As 2

A true understanding of the properties of pnictide superconductors requires the development of high-quality materials and performing measurements designed to unravel their intrinsic properties and short-range nematic correlations which are often obscured by extrinsic effects such as poor crystallinity, inhomogeneity, domain formation, and twinning. Here, in this paper, we report the systematic growth of high-quality Na-substituted BaFe 2 As 2 single crystals and their characterization using pulsed magnetic fields x-ray diffraction and x-ray diffuse scattering. Analysis of the properties and compositions of the highest-quality crystals shows that their actual Na stoichiometry is about 50-60% of the nominal content and that the targeted production of crystals with specific compositions is accessible. We derived a reliable equation to estimate the Na stoichiometry based on the measured superconducting T c of these materials. Attempting to force spin reorientation and induce tetragonality, orthorhombic Ba 1-x Na x Fe 2 As 2 single crystals subjected to out-of-plane magnetic fields up to 31.4T are found to exhibit strong in-plane magnetic anisotropy demonstrated by the insufficiency of such high fields in manipulating the relative population of their twinned domains or in suppressing the orthorhombic order. Broad x-ray diffuse-intensity rods observed at temperatures between 30 and 300 K uncover short-range structural correlations. Local structure modeling together with 3D-Δ pair-distribution function mapping of real-space interatomic vectors show that the diffuse scattering arises from in-plane short-range chemical correlations of the Ba and Na atoms coupled with short-range atomic displacements within the same plane due to an effective size difference between the two atomic species.

36 MATERIALS SCIENCE↗
NASA NTRS2021

Airborne and Ground-Based Measurements of Aerosol Optical Depth of Freshly Emitted Anthropogenic Plumes in the Athabasca Oil Sands Region

In this work we report the airborne aerosol optical depth (AOD) from measurements within freshly emitted anthropogenic plumes arising from mining and processing operations in the Athabasca Oil Sands Region (AOSR) in the context of ground-based AERONET climatological daily averaged AODs at Fort McMurray (Alberta, Canada). During two flights on 9 and 18 June 2018, the NASA airborne 4STAR (Spectrometers for Sky-Scanning, Sun-Tracking Atmospheric Research) Sun photometer registered high fine-mode (FM, <1 µm) in-plume AODs of up to 0.4 and 0.9, respectively, in the vicinity of the plume source (<20 km). Particle composition shows that the plumes were associated with elevated concentrations of sulfates and ammonium. These high AODs significantly exceed climatological averages for June and were not captured by the nearby AERONET instrument (mean daily AODs of 0.10±0.01 and 0.07±0.02, maximum AOD of 0.12) due possibly to horizontal inhomogeneity of the plumes, plume dilution and winds which in certain cases were carrying the plume away from the ground-based instrument. The average 4STAR out-of-plume (background) AODs deviated only marginally from AERONET daily averaged values. While 4STAR AOD peaks were generally well correlated in time with peaks in the in situ-measured particle concentrations, we show that differences in particle size are the dominant factor in determining the 4STAR-derived AOD. During the two flights of 24 June and 5 July 2018 when plumes likely travelled distances of 60 km or more, the average 4STAR FM AOD increased by 0.01–0.02 over ∼50 km of downwind particle evolution, which was supported by the increases in layer AODs calculated from the in situ extinction measurements. Based on these observations as well as the increases in organic mass, we attribute the observed AOD increase, at least in part, to secondary organic aerosol formation. The in-plume and out-of-plume AODs for this second pair of flights, in contrast to clear differences in in situ optical and other measurements, were practically indistinguishable and compared favourably to AERONET within 0.01–0.02 AOD. This means that AERONET was generally successful in capturing the background AODs, but missed some of the spatially constrained high-AOD plumes with sources as close as 30–50 km, which is important to note since the AERONET measurements are generally thought to be representative of the regional AOD loading. The fact that industrial plumes can be associated with significantly higher AODs in the vicinity of the emission sources than previously reported from AERONET can potentially have an effect on estimating the AOSR radiative impact.

AERONET↗
DOE OSTI2025

Short-range order and longer-range disorder revealed in germanium–tin alloy thin films by extended x-ray absorption fine structure analysis

Short-range order (SRO) in semiconductor alloys, a relatively under-studied structural phenomenon in which local atomic arrangements differ from those of a random solid solution, is investigated in molecular beam epitaxy (MBE)-grown GeSn thin films. A novel preparation technique is used to pattern these films into microscale ribbons that are released from the substrate for extended x-ray absorption fine structure (EXAFS) analysis. The results indicate a strong SRO in which the first shell around Sn atoms is greatly denuded of Sn atoms relative to the nominal atomic composition of the alloy. This effect is more pronounced than that observed recently in GeSn nanowires grown by chemical vapor deposition. Additionally, the presence of a longer-range disorder detected by EXAFS analysis in the shells of atoms more distant from the absorbers is indicative of the defects and inhomogeneous strain present in the MBE-grown films. The evident existence of the SRO in GeSn alloys deposited by different growth methods and in different strain states suggests that SRO is a general phenomenon in the thin films of this metastable solid solution.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1994

Basalt generation at the Apollo 12 site. Part 1: New data, classification, and re-evaluation

New data are reported from five previously unanalyzed Apollo 12 mare basalts that are incorporated into an evaluation of previous petrogenetic models and classification schemes for these basalts. This paper proposes a classification for Apollo 12 mare basalts on the basis of whole-rock Mg# (molar 100*(Mg/(Mg+Fe))) and Rb/Sr ratio (analyzed by isotope dilution), whereby the ilmenite, olivine, and pigeonite basalt groups are readily distinguished from each other. Scrutiny of the Apollo 12 feldspathic 'suite' demonstrates that two of the three basalts previously assigned to this group (12031, 12038, 12072) can be reclassified: 12031 is a plagioclase-rich pigeonite basalt; and 12072 is an olivine basalt. Only basalt 12038 stands out as a unique sample to the Apollo 12 site, but whether this represents a single sample from another flow at the Apollo 12 site or is exotic to this site is equivocal. The question of whether the olivine and pigeonite basalt suites are co-magmatic is addressed by incompatible trace-element chemistry: the trends defined by these two suites when Co/Sm and Sm/Eu ratios are plotted against Rb/Sr ratio demonstrate that these two basaltic types cannot be co-magmatic. Crystal fractionation/accumulation paths have been calculated and show that neither the pigeonite, olivine, or ilmenite basalts are related by this process. Each suite requires a distinct and separate source region. This study also examines sample heterogeneity and the degree to which whole-rock analyses are representative, which is critical when petrogenetic interpretation is undertaken. Sample heterogeneity has been investigated petrographically (inhomogeneous mineral distribution) with consideration of duplicate analyses, and whether a specific sample (using average data) plots consistently upon a fractionation trend when a number of different compostional parameters are considered. Using these criteria, four basalts have been identified where reported analyses are not representative of the whole-rock composition: 12005, an ilmenite basalt; 12006 and 12036, olivine basalts; and 12031 previously classified as a feldspathic basalt, but reclassified as part of the pigeonite suite.

Neal, Clive R.↗
NASA NTRS1981

The spectral flux distribution of the candidate BL Lacertae object 1218 + 304 /identically equal to 2A 1219 + 305/

A break in the optical-infrared spectrum of the X-ray-discovered candidate BL Lac object 1218 + 304 has been observed at a wavelength of about 1 micron. Two possible causes of the break are considered. One is that it is a high-frequency break in a synchrotron spectrum, resulting from radiation losses. The other is that the observed spectrum is a composite of a power-law spectrum and a galaxian spectrum. The radio through X-ray spectral flux distributions of the two X-ray-discovered BL Lac objects, 1218 + 304 and 2155 - 304, are quite similar. If the radio, infrared, and optical radiation have a common origin in an inhomogeneous synchrotron source, then the observed slope of the X-ray spectrum makes it unlikely that the X-radiation is produced by Compton scattering. The observed soft X-radiation from BL Lac objects is better explained as the high-frequency tail of a synchrotron spectrum. The low radio:optical spectral-flux ratios of 1284 + 304 and 2155 - 304 suggest that this ratio may be inversely related to the break frequency for BL Lac objects. In that case, there may be BL Lac objects which have spectral breaks in the ultraviolet, flat optical spectra, and very weak radio emission. Such objects would most easily be discovered through their X-ray emission.

Ledden, J. E.↗
NASA NTRS2012

Size Resolved Measurements of Springtime Aerosol Particles over the Northern South China Sea

Large sources of aerosol particles and their precursors are ubiquitous in East Asia. Such sources are known to impact the South China Sea (henceforth SCS), a sometimes heavily polluted region that has been suggested as particularly vulnerable to climate change. To help elucidate springtime aerosol transport into the SCS, an intensive study was performed on the remote Dongsha (aka Pratas) Islands Atoll in spring 2010. As part of this deployment, a Davis Rotating-drum Uniform size-cut Monitor (DRUM) cascade impactor was deployed to collect size-resolved aerosol samples at the surface that were analyzed by X-ray fluorescence for concentrations of selected elements. HYSPLIT backtrajectories indicated that the transport of aerosol observed at the surface at Dongsha was occurring primarily from regions generally to the north and east. This observation was consistent with the apparent persistence of pollution and dust aerosol, along with sea salt, in the ground-based dataset. In contrast to the sea-level observations, modeled aerosol transport suggested that the westerly flow aloft (w700 hPa) transported smoke-laden air toward the site from regions from the south and west. Measured aerosol optical depth at the site was highest during time periods of modeled heavy smoke loadings aloft. These periods did not coincide with elevated aerosol concentrations at the surface, although the model suggested sporadic mixing of this free-tropospheric aerosol to the surface over the SCS. A biomass burning signature was not clearly identified in the surface aerosol composition data, consistent with this aerosol type remaining primarily aloft and not mixing strongly to the surface during the study. Significant vertical wind shear in the region also supports the idea that different source regions lead to varying aerosol impacts in different vertical layers, and suggests the potential for considerable vertical inhomogeneity in the SCS aerosol environment.

South China Sea↗
DOE OSTI2024

Crystal growth and evolution of magnetism in the EuCuP-EuCuAs solid solution

The hexagonal EuMX (M = Cu, Ag, Au; X = P, As, Sb, Bi) compounds host interesting electronic and magnetic properties, with seemingly intertwined topology and transport properties. One key feature of such behavior is the nature of the ordered magnetic structure. In EuCuAs, a topological Hall effect is caused by a conical spin structure that emerges when a field is applied within the easy-plane (H ⊥ c) of the helical ground state that exists below the Neel temperature of T N = 14 K. On the other hand, EuCuP is an easy-axis ferromagnet with a Curie temperature T C near 31 K. Here, in this study, we investigate the evolution of the magnetic properties in EuCuAs 1-x P x single crystals with 0.16 ≤ x ≤ 0.75. Crystals grown by cooling slowly in a Sn flux possessed macroscale inhomogeneity of As/P, particularly for arsenic-rich crystals. However, growth in a Sn flux via an isothermal dwell at 600 °C produced crystals that were homogeneous within the resolution of the probes utilized to investigate these crystals. The unit cell volumes, Curie-Weiss temperatures, and magnetic transitions trend linearly with composition and the magnetic anisotropy is reduced in the alloys. The magnetization data of crystals with x = 0.16 and 0.24 indicate an easy-plane antiferromagnetic ground state while ferromagneticlike behavior is observed for crystals with x ≥ 0.41. The temperature-dependent magnetization data possess multiple transitions for compositions near EuCuAs 0.75 P 0.25 , revealing a competition of ground states in this arsenic-rich region of the phase diagram. Neutron diffraction data for EuCuP are also presented as a follow up to previous results that revealed a two-step transition at T C ; the observed data were consistent with ferromagnetic order at T = 5K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Tension fracture of laminates for transport fuselage. Part 1: Material screening

Transport fuselage structures are designed to contain pressure following a large penetrating damage event. Application of composites to fuselage structures requires a data base and supporting analysis on tension damage tolerance. Tests with 430 fracture specimens were used to accomplish the following: (1) identify critical material and laminate variables affecting notch sensitivity, (2) evaluate composite failure criteria, and (3) recommend a screening test method. Variables studied included fiber type, matrix toughness, lamination manufacturing process, and intraply hybridization. The laminates found to have the lowest notch sensitivity were manufactured using automated tow placement. This suggests a possible relationship between the stress distribution and repeatable levels of material inhomogeneity that are larger than found in traditional tape laminates. Laminates with the highest notch sensitivity consisted of toughened matrix materials that were resistant to a splitting phenomena that reduces stress concentrations in load bearing plies. Parameters for conventional fracture criteria were found to increase with the crack length of the smallest notch sizes studied. Most materials and laminate combinations followed less than a square root singularity for the largest crack sizes studied. Specimen geometry, notch type, and notch size were evaluated in developing a screening test procedure. Results indicate that a range of notch sizes must be tested to determine notch sensitivity.

Walker, T. H.↗
NASA NTRS1992

Tension fracture of laminates for transport fuselage. Part 1: Material screening

Transport fuselage structures are designed to contain pressure following a large penetrating damage event. Applications of composites to fuselage structures require a database and supporting analysis on tension damage tolerance. Tests with 430 fracture specimens were used to accomplish the following: (1) identify critical material and laminate variables affecting notch sensitivity; (2) evaluate composite failure criteria; and (3) recommend a screening test method. Variables studied included fiber type, matrix toughness, lamination manufacturing process, and intraply hybridization. The laminates found to have the lowest notch sensitivity were manufactured using automated tow placement. This suggests a possible relationship between the stress distribution and repeatable levels of material inhomogeneity that are larger than found in traditional tape laminates. Laminates with the highest notch sensitivity consisted of toughened matrix materials that were resistant to a splitting phenomena that reduces stress concentrations in major load bearing plies. Parameters for conventional fracture criteria were found to increase with crack length for the smallest notch sizes studied. Most material and laminate combinations followed less than a square root singularity for the largest crack sizes studied. Specimen geometry, notch type, and notch size were evaluated in developing a screening test procedure. Traitional methods of correcting for specimen finite width were found to be lacking. Results indicate that a range of notch sizes must be tested to determine notch sensitivity. Data for a single small notch size (0.25 in. diameter) was found to give no indication of the sensitivity of a particular material and laminate layup to larger notch sizes.

Walker, T. H.↗
NASA NTRS1986

Elliptic generation of composite three-dimensional grids about realistic aircraft

An elliptic method for generating composite grids about realistic aircraft is presented. A body-conforming grid is first generated about the entire aircraft by the solution of Poisson's differential equation. This grid has relatively coarse spacing, and it covers the entire physical domain. At boundary surfaces, cell size is controlled and cell skewness is nearly eliminated by inhomogeneous terms, which are found automatically by the program. Certain regions of the grid in which high gradients are expected, and which map into rectangular solids in the computational domain, are then designated for zonal refinement. Spacing in the zonal grids is reduced by adding points with a simple, algebraic scheme. Details of the grid generation method are presented along with results of the present application, a wing-body configuration based on the F-16 fighter aircraft.

Sorenson, R. L.↗
NASA NTRS1986

Elliptic generation of composite three-dimensional grids about realistic aircraft

An elliptic method for generating composite grids about realistic aircraft is presented. A body-conforming grid is first generated about the entire aircraft by the solution of Poisson's differential equation. This grid has relatively coarse spacing, and it covers the entire physical domain. At boundary surfaces, cell size is controlled and cell skewness is nearly eliminated by inhomogeneous terms, which are found automatically by the program. Certain regions of the grid in which high gradients are expected, and which map into rectangular solids in the computational domain, are then designated for zonal refinement. Spacing in the zonal grids is reduced by adding points with a simple, algebraic scheme. Details of the grid-generation method are presented along with results of the present application, a wing/body configuration based on the F-16 fighter aircraft.

Sorenson, Reese L.↗
NASA NTRS2005

Ar-Ar and I-Xe Ages of Caddo County and Thermal History of IAB Iron Meteorites

Inclusions in IAB iron meteorites include non-chondritic silicate and those with more primitive chondritic silicate composition. Coarse-grained gabbroic material rich in plagioclase and diopside occurs in the Caddo County IAB iron meteorite and represents a new type of chemically differentiated, extra-terrestrial, andesitic silicate. Other parts of Caddo contain mostly andesitic material. Caddo thus exhibits petrologic characteristics of parent body metamorphism of a chondrite-like parent and inhomogeneous segregation of melts. Proposed IAB formation models include parent body partial melting and fractional crystallization or incomplete differentiation due to internal heat sources, and impact/induced melting and mixing. Benedix et al. prefer a hybrid model whereby the IAB parent body largely melted, then underwent collisional breakup, partial mixing of phases, and reassembly. Most reported 129I- Xe-129 ages of IABs are greater than 4.56 Gyr and a few are greater than or = 4.567 Gyr. These oldest ages exceed the 4.567 Gyr Pb-Pb age of Ca, Al-rich inclusions in primitive meteorites,

Bogard, Donald D.↗
DOE OSTI2023

Deposition-controlled phase separation in CuNb metallic alloys

Vapor co-deposited metal nanocomposites with immiscible components have shown to have several superior properties including mechanical performance, radiation tolerance, and enhanced functionalities. The morphology and structural design of these nanocomposites are important in determining the expression of these properties. The conditions used to deposit thin film nanocomposites are the governing factors in determining the final nanostructure. In this work, we link the effects of process gas pressure, substrate temperature, and sputtering target power on resultant Cu/Nb thin film nanostructures. Here, we find that for films with equiatomic phase fractions of Cu and Nb, inhomogeneous precipitate segregation dominated the structure at lower substrate temperature depositions while higher temperatures distributed the Cu and Nb phases more uniformly. Increasing process gas pressure during deposition lead to a spatially homogeneous, nanocrystalline structure of Cu/Nb. In situ annealing of this sample shows that the phase separated morphology of the two immiscible materials depends on the initial composition. Finally, compositions of Cu and Nb that were highly disparate lead to interface segregation of the minority phase. The morphological evolution observed in the Cu/Nb system is compatible with modified structural zone models for immiscible thin film systems.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Studies of planetary upper atmospheres through occultations

The structure, composition, dynamics and energy balance of planetary upper atmospheres through interpretation of steller occultation data from Uranus is discussed. The wave-optical problem of modelling strong scintillation for arbitrary turbulent atmospheres is studied, as well as influence of turbulence. It was concluded that quasi-global features of atmospheric structure are accurately determined by numerical inversion. Horizontally inhomogeneous structures are filtered out and have little effect on temperature profiles.

Elliot, J. L.↗
NASA NTRS1993

Multiple flow regimes in the Northern Hemisphere winter. I - Methodology and hemispheric regimes. II - Sectorial regimes and preferred transitions

Multivariate pdfs in the phase space of large-scale atmospheric motions are examined in order to identify recurrent and persistent flow patterns. The extent to which intraseasonal variablity can be described and understood in terms of multiple flow regimes is clarified. It is shown that the synoptically intriguing and statistically significant inhomogeneities exhibited by the 2D phase plane on the periphery of the distribution are due to the existence of persistent and recurrent anomaly patterns. It is argued that these inhomgeneities are obscured when PDFs are examined in a smaller-dimensional subspace than dynamically desired. A synoptic characterization of onsets and breaks for the flow regimes is given by compositing. In situ evolutions of anomaly patterns, slow westward shifts of high-latitude anomaly centers, and successive downstream increase of anomaly magnitudes are the typical signatures of such events.

Kimoto, Masahide↗