Structured variations of the plasmapause - Evidence of a co-rotating plasmatail
Structured variations of plasmapause observed by OGO-D and evidence of co-rotating plasmatail
Grebowsky, J. M.↗
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Direct Observation of the Pressure-Induced Structural Variation in Gold Nanoclusters and the Correlated Optical Response
The ability to gradually modify the atomic structures of nanomaterials and directly identify such structural variation is important in nanoscience research. Here, we present the first example of a high-pressure single-crystal X-ray diffraction analysis of atomically precise metal nanoclusters. The pressure-dependent, subangstrom structural evolution of an ultrasmall gold nanoparticle, Au 25 S 18 , has been directly identified. We found that a 0.1 Å decrease of the Au–Au bond length could induce a blue-shift of 30 nm in the photoluminescence spectra of gold nanoclusters. From theoretical calculations, the origins of the blue-shift and enhanced photoluminescence under pressure are investigated, which are ascribed to molecular orbital symmetry and conformational locking, respectively. Here, the combination of the high-pressure in situ X-ray results with both theoretical and experimental optical spectra provides a direct and generalizable avenue to unveil the underlying structure–property relations for nanoclusters and nanoparticles which cannot be obtained through traditional physical chemistry measurements.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Chemical Environment and Structural Variations in High Entropy Oxide Thin Film Probed with Electron Microscopy
For this work, we employ analytical transmission electron microscopy (TEM) to correlate the structural and chemical environment variations within a stacked epitaxial thin film of the high entropy oxide (HEO) Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2 O (J14), with two layers grown at different substrate temperatures (500 and 200 °C) using pulsed laser deposition (PLD). Electron diffraction and atomically resolved STEM imaging reveal the difference in out-of-plane lattice parameters in the stacked thin film, which is further quantified on a larger scale using four-dimensional STEM (4D-STEM). In the layer deposited at a lower temperature, electron energy loss spectroscopy (EELS) mapping indicates drastic changes in the oxidation states and bonding environment for Co ions, and energy-dispersive X-ray spectroscopy (EDX) mapping detects more significant cation deficiency. Ab initio density functional theory (DFT) calculations validate that vacancies on the cation sublattice of J14 result in significant electronic and structural changes. The experimental and computational analyses indicate that low temperatures during film growth result in cation deficiency, an altered chemical environment, and reduced lattice parameters while maintaining a single phase. Our results demonstrate that the complex correlation of configurational entropy, kinetics, and thermodynamics can be utilized for accessing a range of metastable configurations in HEO materials without altering cation proportions, enabling further engineering of functional properties of HEO materials.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Application of a magnetograph and X-ray telescope to the study of coronal structure variations
The application of magnetographs and X-ray imaging techniques to determine the magnitude, structure, origin, and evolution of the solar coronal magnetic field is examined. The spatial and temporal resolution of the X-ray telescope is discussed and a comparison of ground based magnetogram sequences versus a magnetograph in space is presented. Skylab photographs of the evolution of transient coronal holes are provided.
Rust, D. M.↗
Structural variation of proterozoic dikes in central Superior Province: A possible reflection of post-Archean shield deformation
Preliminary work is reported on the use of two structural parameters, dike dip and thickness, as possible depth-of-exposure indicators in the Central Superior Province. The data demonstrate systematic variations in the dip and thickness of 2.6 and 1.14 Ga. dikes across the Central Superior Province and are tentatively interpreted to result from post intrusion deformation. Combination of these results with additional structural and paleomagnetic data from dikes of all gas may permit detailed mapping both spatially and temporally of crustal deformation in this part of the Canadian Shield. Although dike dip and thickness data apparently reflect crustal exposure level as given by host rock metamorphic grade (ranging from subgreenschist to granulite), these post-orogenic dikes themselves are at most only weakly metamorphosed. This requires that regional isotherms dropped dramatically after the Kenoran orogeny (2.65 Ga.) and prior to emplacement of the earlist post-orogenic swarm (Matachewan-Hearst) at 2.6 Ga.
Ernst, R. E.↗
Understanding Differences in Water Adsorption Isotherms: Structural Variations, Force Fields, and Monte Carlo Simulation Approaches
Accurate prediction of water adsorption in micro- and mesoporous materials with hydrophobic pores is essential for the design and characterization of advanced adsorbent materials for separation and energy applications. Here, we assess the reproducibility and consistency of water adsorption isotherms in two microporous all-silica MFI zeolite structures (MFI-K and MFI-O) using two different zeolite force fields and three simulation approaches: grand canonical Monte Carlo (GCMC), Gibbs ensemble Monte Carlo (GEMC), and transition matrix Monte Carlo (TMMC). We demonstrate that consistent treatment of the bulk fluid phase in GCMC and TMMC simulations is critical for reconciling isotherms across methods, and we construct simulation-based equations of state for the TIP4P water model to enable rigorous fugacity-to-pressure conversions. Large shifts in the isotherms are observed for two zeolite force fields developed using different parametrization strategies, with the GCS force field representing implicitly a defect-containing all-silica zeolite, whereas the TraPPE-zeo force field accurately represents an essentially defect-free all-silica zeolite. While water in the van Koningsveld structure of MFI exhibits a first-order phase transition and condensation-like step for adsorption near room temperature, water in the Olson structure of MFI displays continuous adsorption, attributed to differences in the adsorption free energy landscapes. Structural analysis reveals that small geometric variations, particularly Si–O–Si bond angles near the strongest adsorption sites, lead to these substantial differences in adsorption behavior. Furthermore, our results highlight the sensitivity of simulated water adsorption isotherms in hydrophobic frameworks to seemingly small differences in the framework structures, force field parametrization, and simulation approaches.
36 MATERIALS SCIENCE↗
Major impacts of widespread structural variation on sorghum
Genetic diversity is critical to crop breeding and improvement, and dissection of the genomic variation underlying agronomic traits can both assist breeding and give insight into basic biological mechanisms. Although recent genome analyses in plants reveal many structural variants (SVs), most current studies of crop genetic variation are dominated by single-nucleotide polymorphisms (SNPs). The extent of the impact of SVs on global trait variation, as well as their utility in genome-wide selection, is not yet understood. In this study, we built an SV data set based on whole-genome resequencing of diverse sorghum lines (n = 363), validated the correlation of photoperiod sensitivity and variety type, and identified SV hotspots underlying the divergent evolution of cellulosic and sweet sorghum. In addition, we showed the complementary contribution of SVs for heritability of traits related to sorghum adaptation. Importantly, inclusion of SV polymorphisms in association studies revealed genotype–phenotype associations not observed with SNPs alone. Three-way genome-wide association studies (GWAS) based on whole-genome SNP, SV, and integrated SNP + SV data sets showed substantial associations between SVs and sorghum traits. The addition of SVs to GWAS substantially increased heritability estimates for some traits, indicating their important contribution to functional allelic variation at the genome level. Our discovery of the widespread impacts of SVs on heritable gene expression variation could render a plausible mechanism for their disproportionate impact on phenotypic variation. This study expands our knowledge of SVs and emphasizes the extensive impacts of SVs on sorghum.
59 BASIC BIOLOGICAL SCIENCES↗
Infrared and Raman spectroscopic studies of structural variations in minerals from Apollo 11, 12, 14 and 15 samples, volume 3
Infrared and Raman vibrational spectroscopic data, yielding direct information on molecular structure, were obtained for single grains ( 150 microns) of minerals, basalts, and glasses isolated from Apollo 11, 12, 14, and 15 rock and dust samples, and for grains in Apollo 14 polished butt samples. From the vibrational data, specification substitutions were determined for the predominant silicate minerals of plagioclase, pyroxene, and olivine. Unique spectral variations for grains of K-feldspar, orthopyroxene, pyroxenoid, and ilmenite were observed to exceed the ranges of terrestrial samples, and these variations may be correlatable with formation histories. Alpha-quartz was isolated as pure single grains, in granitic grains composited with sanidine, and in unique grains that were intimately mixed with varying amounts of glass. Accessory minerals of chromite and ulvospinel were isolated as pure grains and structurally characterized from their distinctive infrared spectra. Fundamental vibrations of the SiO4 tetrahedra in silicate minerals were used to classify bulk compositions in dust sieved fractions, basalt grains and glass particles, and to compare modal characteristics for maria, highland and rille samples. No hydrated minerals were found in any of the samples studied, indicating anhydrous formation conditions.
Estep, P. A.↗
Grass xylan structural variation suggests functional specialization and distinctive interaction with cellulose and lignin
SUMMARY Xylan is the most abundant non‐cellulosic polysaccharide in grass cell walls, and it has important structural roles. The name glucuronoarabinoxylan (GAX) is used to describe this variable hemicellulose. It has a linear backbone of β‐1,4‐xylose (Xyl) residues that may be substituted with α‐1,2‐linked (4‐ O ‐methyl)‐glucuronic acid (GlcA), α‐1,3‐linked arabinofuranose (Ara f ), and sometimes acetylation at the O ‐2 and/or O ‐3 positions. The role of these substitutions remains unclear, although there is increasing evidence that they affect the way xylan interacts with other cell wall components, particularly cellulose and lignin. Here, we used substitution‐dependent endo‐xylanase enzymes to investigate the variability of xylan substitution in grass culm cell walls. We show that there are at least three different types of xylan: (i) an arabinoxylan with evenly distributed Ara f substitutions without GlcA (AXe); (ii) a glucuronoarabinoxylan with clustered GlcA modifications (GAXc); and (iii) a highly substituted glucuronoarabinoxylan (hsGAX). Immunolocalization of AXe and GAXc in Brachypodium distachyon culms revealed that these xylan types are not restricted to a few cell types but are instead widely detected in Brachypodium cell walls. We hypothesize that there are functionally specialized xylan types within the grass cell wall. The even substitutions of AXe may permit folding and binding on the surface of cellulose fibrils, whereas the more complex substitutions of the other xylans may support a role in the matrix and interaction with other cell wall components.
60 APPLIED LIFE SCIENCES↗
Structure variation of the index of refraction of GaAs-AlAs superlattices and multiple quantum wells
A detailed calculation of the index refraction of various GaAs-AlAs superlattices is presented for the first time. The calculation is performed by using a hybrid approach which combines the k-p method with the pseudopotential technique. Appropriate quantization conditions account for the influence of the superstructures on the electronic properties of the systems. The results of the model are in very good agreement with the experimental data. In comparison with the index of refraction of the corresponding AlGaAs alloy, characterized by the same average mole fraction of Al, the results indicate that the superlattice index of refraction values attain maxima at the various quantized transition energies. For certain structures the difference can be as large as 2 percent. These results suggest that the waveguiding and dispersion relation properties of optoelectronic devices can be tailored to design for specific optical application by an appropriate choice of the superlattice structure parameters.
Kahen, K. B.↗
XRD and STEM Analysis of Structural Variation in Nanocrystalline Cu-Ag Thin Films
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Dorman, Kyle Rhys [Sandia National Laboratories (S↗
Structured variations of the plasmapause - Evidence of a corotating plasma tail
Earth corotating plasma tail evidence in plasmapause variations from high resolution proton distribution data obtained by Ogo 4 satellite during magnetic storm
Grebowsky, J. M.↗
Infrared and Raman spectroscopic studies of structural variations in minerals from Apollo 11, 12, 14, and 15 samples.
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Estep, P. A.↗
Activity-driven structure variations as a cause of period changes in RS Canis Venaticorum-like systems
Magnetic activity cycles of a convective star in a close binary system may lead to orbit period changes through tidal spin-orbit coupling. An increase in the mean magnetic field throughout the convection zone provides an additional pressure support and increases the star's moment of inertia. In order for the system to conserve angular momentum instantaneously, the convective star must reduce its rotation rate. When this happens, the system is no longer synchronous; in particular, the equilibrium tide now suffers a phase lag. A tidal torque must act, transferring angular momentum from the star's rotation to the orbit, lengthening the period. When the field decays, these events reverse and the period shortens. Observed period changes in RS CVn-like systems are of the order delta p/p = 10 to the -6th, implying variations in the mean field strength at the base of the convection zone of approximately 1000 G over time scales of 10-30 yr. It is predicted that the strength of magnetic activity indicators will track orbital period changes in a given system: the period will be largest during the active portion of the magnetic cycle and smallest during the quiescent part.
Van Buren, D.↗
Inferring solar structure variations from photometric and helioseismic observations
Present large scale photometric and helioseismic data may be related to spatial and temporal deviations from an otherwise static, spherical solar convection zone (SCZ). New space experiments combine precise photometric, helioseismic, and magnetic observational capabilities (like SOHO and MDI) and will provide data needed to understand the interaction of magnetic fields and global scale circulation in the SCZ. Even simple physical arguments make it clear that the anticipated accuracy of these new experiments virtually guarantees new constraints on models of the SCZ.
Kuhn, J. R.↗
A Dynamic-model Study of the Effect of Added Weights and Other Structural Variations on the Blade Bending Strains of an Experimental Two-blade Jet-driven Helicopter in Hovering and Forward Flight
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Mccarty, John Locke↗
Impact of Disorder and Defects on Bond Energies in Highly Fluorinated Graphene
Fluorinated graphite materials are of interest for an assortment of applications and can be synthesized under a variety of synthetic conditions from many different types of carbon. Due to such variations, structural disorders in the form of defects and polymorphism are often present. Here, we investigate the impact of local structural variations on the C–F bond dissociation energies (BDEs) in carbon-based fluoride materials using density functional theory (DFT) computational methods. Employing fluorographene (FG) cluster models, we determine the impact of different C–F bonding configurations in the core of each platelet on the equilibrium BDEs for each C–F bond. The introduction of structural disorder decreases the first C–F BDE by approximately 1 eV compared to the canonical arrangement of axial C–F bonds ordered as in a network of cyclohexane “chairs”. Variability of calculated BDEs among the different polymorphs decreases upon subsequent F removal. Common structural tendencies of the adiabatic defluorination pathways for each polymorph are identified. In conclusion, our analysis suggests that at F/C ratios near 1.0, disorder in the local structure can play a significant role in the energetics of the initial carbon fluoride defluorination and that the influence of this configurational disorder diminishes with decreasing F/C ratios.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗