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In the design and development of dynamically similar structural models a distorted model of the panel is used. The panel thickness is made larger than that dictated by geometric scaling, and the mass of the panel is decreased by adding mass to the surface of the panel to counteract the additional stiffness obtained by the thickness increase.
CM chondrites are primitive rocks that experienced aqueous alteration in the early solar system. Their matrices and fine-grained rims (FGRs) sustained the effects of alteration, and the minerals within them hold clues to the aqueous reactions. Sheet silicates are an important product of alteration, and those of the serpentine group are abundant in the CM2 chondrites. Here we expand on our previous efforts to characterize the structure and chemistry of serpentines in CM chondrites and report results on a polyhedral form that is structurally similar to polygonal serpentine. Polygonal serpentine consists of tetrahedral (T) sheets joined to M(2+)-centered octahedral (O) sheets (where (M2+) is primarily Mg(2+) and Fe(2+)), which give rise to a 1:1 (TO) layered structure with a 0.7-nm layer periodicity. The structure is similar to chrysotile in that it consists of concentric lizardite layers wrapped around the fiber axis. However, unlike the rolled-up chrysotile, the tetrahedral sheets of the lizardite layers are periodically inverted and kinked, producing sectors. The relative angles between sectors result in 15- and 30-sided polygons in terrestrial samples.
Superconcentrated aqueous electrolytes ("water-in-salt" electrolytes, or WiSEs) enable various aqueous battery chemistries beyond the voltage limits imposed by the Pourbaix diagram of water. However, their detailed structural and transport properties remain unexplored and could be better understood through added studies. Here, we report on our observations of strong acidity (pH 2.4) induced by lithium bis(trifluoromethane sulfonyl)imide (LiTFSI) at superconcentration (at 20 mol/kg). Multiple nuclear magnetic resonance (NMR) and pulsed-field gradient (PFG) diffusion NMR experiments, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations reveal that such acidity originates from the formation of nanometric ion-rich structures. The experimental and simulation results indicate the separation of water-rich and ion-rich domains at salt concentrations >= 5 m and the acidity arising therefrom is due to deprotonation of water molecules in the ion-rich domains. As such, the ion-rich domain is composed of hydrophobic -CF3 (of TFSI-) and hydrophilic hydroxyl (OH-) groups. At 20 m concentration, the tortuosity and radius of water diffusion channels are estimated to be similar to 10 and similar to 1 nm, respectively, which are close to values obtained from hydrated Nafion membranes that also have hydrophobic polytetrafluoroethylene (PTFE) backbones and hydrophilic channels consisting of SO3- ion cluster networks providing for the transport of ions and water. Thus, we have discovered the structural similarity between WiSE and hydrated Nafion membranes on the nanometer scale.
MgCo 3 B 2 , a novel ternary boride in a previously unexplored phase space, was synthesized using the hydride route. In situ powder X-ray diffraction and DFT calculations aided in the discovery of this compound, whose structure was then determined by single-crystal X-ray diffraction. Like the closely related CeCo 3 B 2 , MgCo 3 B 2 crystallizes in centrosymmetric space group P6/mmm (a = 4.883(2) Å, c = 2.926(2) Å at 210 K, Z = 1). Unlike CeCo 3 B 2 , however, it adopts a disordered structure that features a rumpled Kagomé network of Co atoms, and Mg atoms fill the channels of a Co–B framework. Although the structural disorder leads to motifs that are similar to those observed in MgNi 3 B 2 and other related ternary borides, no evidence of an ordered superstructure was found by single-crystal X-ray diffraction or high-resolution powder X-ray diffraction. In the case of CeCo 3 B 2 , boron atoms occupy the center of regular Co 6 trigonal prisms; in MgCo 3 B 2 , boron atoms are shifted from the center of the prism to form B–B dimers with roughly the same length as those found in MgNi 3 B 2 . Magnetic susceptibility data exhibit an unusual temperature dependence that cannot be convincingly modeled by the modified Curie–Weiss equation, consistent with DFT calculations predicting a nonmagnetic ground state. Intrinsic susceptibility at 300 K is 1.42 × 10 –3 emu/mol Oe, which is comparable to that of paramagnetic YCo 3 B 2 and CeCo 3 B 2 with a similar structure and composition. Here, this study showcases the efficacy of combining several methodologies to discover new solids in unexplored phase spaces. This approach includes in situ PXRD data to monitor reactions of precursors upon heating, a diffusion-enhanced synthesis method, and DFT assessment of compound stability.
We present the most suitable data sets available in the International Ultraviolet Explorer (IUE) archive for the study of time-dependent stellar winds in early B supergiants. The UV line profile variability in 11 B0 to B3 stars is analyzed, compared and discussed, based on 16 separate data sets comprising over 600 homogeneously reduced high-resolution spectrograms. The targets include 'normal' stars with moderate rotation rates and examples of rapid rotators. A gallery of grey-scale images (dynamic spectra) is presented, which demonstrates the richness and range of wind variability and highlights different structures in the winds of these stars. This work emphasizes the suitability of B supergiants for wind studies, under-pinned by the fact that they exhibit unsaturated wind lines for a wide range of ionization. The wind activity of B supergiants is substantial and has highly varied characteristics. The variability evident in individual stars is classified and described in terms of discrete absorption components, spontaneous absorption, bowed structures, recurrence, and ionization variability and stratification. Similar structures can occur in stars of different fundamental parameters but also different structures may occur in the same star at a given epoch. We discuss the physical phenomena that may be associated with the spectral signatures, and highlight the challenges that these phenomena present to theoretical studies of time-dependent outflows in massive stars. In addition, SEI line-synthesis modelling of the UV wind lines is used to provide further information about the state of the winds in our program stars. Typically the range, implied by the line profile variability, in the product of mass-loss rate and ion fraction (M qi) is a factor of approximately 1.5, when integrated between 0.2 and 0.9 v infinity; it it can however be several times larger over localized velocity regions. At a given effective temperature the mean relative ion ratios can differ by a factor of 5. The general excess in predicted (forward-scattered) emission in the low velocity regime is discussed in turns of structured outflows. Mean ion fractions are estimated over the B0 to B1 spectral classes, and trends in the ionic ratios as a function of wind velocity are described. The low values obtained for the ion fractions of UV resonance lines may reflect the role of clumping in the wind.
We present the most suitable data sets available in the International Ultraviolet Explorer (IUE) archive for the study of time-dependent stellar winds in early B supergiants. The UV line profile variability in 11 B0 to B3 stars is analyzed, compared and discussed, based on 16 separate data sets comprising over 600 homogeneously reduced high-resolution spectrograms. The targets include 'normal' stars with moderate rotation rates and examples of rapid rotators. A gallery of grey-scale images (dynamic spectra) is presented, which demonstrates the richness and range of wind variability and highlights different structures in the winds of these stars. This work emphasises the suitability of B supergiants for wind studies, under-pinned by the fact that they exhibit unsaturated wind lines for a wide range of ionization. The wind activity of B supergiants is substantial and has highly varied characteristics. The variability evident in individual stars is classified and described in terms of discrete absorption components, spontaneous absorption, bowed structures, recurrence, and ionization variability and stratification. Similar structures can occur in stars of different fundamental parameters, but also different structures may occur in the same star at a given epoch. We discuss the physical phenomena that may be associated with the spectral signatures, and highlight the challenges that these phenomena present to theoretical studies of time-dependent outflows in massive stars. In addition, SEI line-synthesis modelling of the UV wind lines is used to provide further information about the state of the winds in our program stars. Typically the range, implied by the line profile variability, in the product of mass-loss rate and ion fraction (M (dot) q(sub i)) is a factor of approximately 1.5, when integrated between 0.2 and 0.9 v infinity; it can however be several times larger over localized velocity regions. At a given effective temperature the mean relative ion ratios can differ by a factor of 5. The general excess in predicted (forward-scattered) emission in the low velocity regime is discussed in terms of structured outflows. Mean ion fractions are estimated over the B0 to B1 spectral classes, and trends in the ionic ratios as a function of wind velocity are described. The low values obtained for the ion fractions of UV resonance lines may reflect the role of clumping in the wind.
This study quantifies Madden-Julian Oscillation (MJO)- related hydrological variability in the upper troposphere/ lower stratosphere (UT/LS) using Aura Microwave Limb Sounder (MLS) cloud ice water content (IWC) and water vapor (H2O). In a composite of six boreal-winter MJO events, the UT/LS IWC anomaly is strongly positively correlated with the convection (TRMM rainfall) anomaly. IWC anomalies range from +/-2 mg/cu m at 215 hPa to +/-0.08 mg/cu m at 100 hPa. The UT/LS H2O anomaly has an eastward-tilting structure similar to the previous-documented temperature structure, but the H2O maximum lags the temperature maximum by about a week. The H2O anomaly is positively correlated with the convection anomaly in the UT (261 hPa) and LS (68 hPa) but negatively correlated with the convection anomaly near the tropopause (100 hPa). This analysis provides a multi-parameter construct useful in validating and improving the parameterization of convection, clouds and cloud microphysics in MJO modeling.
A barotropic stability model linearized about a zonally symmetric flow is used to examine the stability characteristics of horizontal zonal-mean flow profiles representative of the Southern Hemisphere middle stratosphere during winter and early spring, with emphasis on periods when planetary wave growth appears confined to the stratosphere. Unstable modes of eastward-travelling waves 2 and 3 are found to have period sand spatial structures, similar to observations. Wave-2 and wave-3 momentum fluxes are similar in observations and model results and are consistent with the transfer of kinetic energy from the zonal-mean flow to the wave. When a barotropic model with a zonally symmetric basic flow is used, wave 3 is usually most unstable. Including a stationary wave 1 in the basic flow destabilizes both wave 2 and wave 3, but has little effect on their periods or spatial structures. The similarity between observed fields and model results in a number of cases when wave 2 appears to grow within the stratosphere suggests that in situ instabilities play a role in the evolution of the eastward-traveling wave-2 characteristic of the Southern Hemisphere winter and early spring stratosphere.
We present numerical calculations of three-dimensional spherical shell thermal convection for constant viscosity and stratified viscosity models of whole-layer and two-layer mantle convection. These four examples are intended to provide theoretical guidance for determining the style of convection that is occurring in Earth's mantle. An impermeable interface between the upper and lower convecting shells in the two-layer solutions is placed at a depth of 670 km to coincide with the mantle seismic discontinuity that divides the upper and lower mantle. The interface results in an internal thermal boundary layer that raises the mean temperature in the lower shell by about 1400 K compared to the whole-layer solutions. The patterns of convection in the upper part of the whole-layer solutions are dominated by narrow arcuate sheetlike downflows in a background of weak upflow. In contrast, the upper shells of the two-layer solutions have complicated networks of convective rolls with the upflows and downflows having very similar structure. The structure of convection in the lower shells is similar to that in the lower part of the whole-layer solutions. Based on the horizontal structure of subduction zones on Earth's surface and on tomographic images of temperature variations in Earth's mantle, we conclude that the style of convection in Earth's mantle is more like that of the whole-mantle models.
Co-rotating interaction regions (CIRs) and their associated shock pairs are dominant structures in the solar wind between the heliocentric distances of 2 and 8 AU. At larger heliocentric distances, these structures undergo a qualitative change. Shocks decay to a point where they are often difficult to detect, and may have little influence on the dynamics of the solar wind. Interaction regions spread and merge, though they appear to retain their identity to surprisingly large distances from the Sun. Solar wind and IMF data from the Pioneer 10, Pioneer 11, and Voyager 2 spacecraft were used to conduct a comprehensive survey of CIRs and their successors between heliocentric distances of 1 and 55 AU over the last two solar cycles. The structure of the solar wind varied in a consistent fashion with heliocentric distance. Similar structures were observed at similar heliocentric distances by all three spacecraft during different portions of the solar cycle.
Co-rotating interaction regions (CIRs) and their associated shock pairs are dominant structures in the solar wind between the heliocentric distances of 2 and 8 AU. At larger heliocentric distances, these structures undergo a qualitative change. Shocks decay to a point where they are often difficult to detect, and may have little influence on the dynamics of the solar wind. Interaction regions spread and merge, though they appear to retain their identity to surprisingly large distances from the Sun. Solar wind and IMF data from the Pioneer 10, Pioneer 11, and Voyager 2 spacecraft were used to conduct a comprehensive survey of CIRs and their successors between heliocentric distances of 1 and 55 AU over the last two solar cycles. The structure of the solar wind varied in a consistent fashion with heliocentric distance. Similar structures were observed at similar heliocentric distances by all three spacecraft during different portions of the solar cycle.
High-frequency (e.g., 10 Hz) eddy covariance measurements are typically used to estimate fluxes at the land–atmosphere interface at timescales of 15–60 min. These multivariate data contain information about the interdependency at high frequency between the interacting variables such as wind, humidity, temperature, and CO 2 . We use data at 10 Hz from an eddy covariance instrument located at 25 m above agricultural land in the Midwestern US, which offers an opportunity to move beyond the traditional spectral analyses to explore causal dependency among variables. In this study, we quantify the structure of inter-dependencies of interacting variables at high frequency represented by a directed acyclic graph (DAG). We compare DAGs to investigate changes in structural differences in causal interactions. We then apply a distance-based classification and -means clustering approach to identify the evolution of the causal structure represented by a DAG. Our method selects an unbiased number of clusters of similar structures and characterizes the similarities and differences between them. We explore a range of dynamic behavior using data from a clear sky day and during a solar eclipse in 2017. Our results show well-defined clusters of similar causal dependencies as the system evolves. Furthermore, our approach provides a methodological framework to understand how causal dependence in turbulence manifests in high-frequency data when represented through a DAG.
The scandium (Sc) – alloyed Sb 2 Te 3 phase-change alloy has recently been found to enable ultrafast crystal nucleation due to the formation of Sc-stabilized octahedral motifs in the amorphous phase, rendering cache-type phase-change memory feasible. When yttrium (Y) is added, however, non-octahedral bonding patterns form in the amorphous Sb 2 Te 3 -based network even though Y has a valence electron configuration similar to that of Sc and also forms perfect octahedral bonding environments with tellurium in the YTe crystal. Here we elucidate the origin of this difference between Sc and Y, by carrying out thorough ab initio simulations and orbital-based bonding analyses on amorphous Y–Sb–Te and Sc–Sb–Te compounds. We also demonstrate how the smooth overlap of atomic positions (SOAP) similarity kernel can be used to quantify the structural similarity of local motifs in the amorphous phase with respect to various crystalline yttrium and scandium tellurides, both in the nearest-neighbor shell and beyond. We discover that the bonding contrast of Y- and Sc-centered structural motifs in amorphous Sb 2 Te 3 stems from their parent crystals at high Te concentrations. The larger atomic radius of Y and the weaker charge transfer when bonded with Te is found to allow more Te neighbors and cause a more open bonding environment, leading to higher coordination numbers and non-octahedral environments. We discuss the implications of the different local environments for practical applications in memory devices.
Chlorophylls and bacteriochlorophylls are the primary pigments used by photosynthetic organisms for light-harvesting, energy transfer, and electron transfer. Many molecular structures of (bacterio)chlorophyll-containing protein complexes are available, some of which contain mixtures of different (bacterio)chlorophyll types. Differentiating these, which sometimes are structurally similar, is challenging but is required for leveraging structural data to gain functional insight. The reaction center complex from Chloroacidobacterium thermophilum has a hybrid (bacterio)chlorophyll antenna system containing both chlorophyll a and bacteriochlorophyll a molecules. The recent availability of its cryogenic electron microscopy (cryo-EM) structure provides an opportunity for a quantitative analysis of their identities, and chemical environments. Here, we describe a theoretical basis for differentiating chlorophyll a and bacteriochlorophyll a in a cryo-EM map, and apply the approach to the experimental cryo-EM maps of the (bacterio)chlorophyll sites of the chloroacidobacterial reaction center. The comparison reveals that at ~2.2-Å resolution, chlorophyll a and bacteriochlorophyll a are easily distinguishable, but the orientation of the bacteriochlorophyll a acetyl moiety is not; however, the latter can confidently be assigned by identifying a hydrogen bond donor from the protein environment. Furthermore, this study reveals the opportunities and challenges in assigning (bacterio)chlorophyll types in structural biology, the accuracy of which is vital for downstream investigations.
We describe the structural studies of microemulsions (μEs) prepared from water, toluene, butanol, and polysorbate 20 (PS20) that we recently used as electrolytes. Small-angle neutron scattering was used to monitor the development of the bicontinuous system as a function of the water-to-surfactant mass ratio on a constant oil-to-surfactant dilution line, revealing how the domain size, correlation length, amphiphilicity factor, and bending moduli change with composition. Kratky and Porod analyses are also employed, providing further structural detail of the scattering domains. Here, we demonstrate that controlling the water-to-surfactant ratio with a constant oil-to-surfactant dilution affects the bicontinuous phase, reveals a sizeable compositional region with structural similarities, and provides insight into the correlation of structure to physical properties. Voltammetric results are presented to examine how the evolution of the bicontinuous structure formed in a μE prepared from water, toluene, butanol, and PS20 contributes to the electrochemical response. These findings, therefore, provide essential information that will guide the formulation of μEs as electrolytes for energy storage.
Analyzing X-ray radiographs is crucial for understanding target behavior in Inertial Confinement Fusion (ICF) and High Energy Density (HED) platforms. However, the density of Magneto Raleigh Taylor (MRT) bands and limitations of target materials often obscure relevant spike growth and density information. To address this issue, machine learning postprocessing techniques can be applied to remove darkened regions in radiography images. In this study, a novel method is presented for removing MRT darkened regions from z-target radiographs using a convolutional neural network (CNN). The CNN, consisting of six layers, treats the darkened regions as noise and employs a mixed loss function and end-to-end frameworks to suppress them while preserving sharpness. The six-layer architecture is designed to effectively learn features when provided with a larger volume of learning space. Each layer is optimized using a mixed loss function that combines a standard loss pixel approach with a multi-scaled structural similarity index loss, which considers luminance, contrast, and structure in local neighborhoods. This approach is particularly beneficial for capturing the stochastic structure of MRT limbs. Due to the limited availability of experimental data, training is conducted using synthetic target radiography from 3D Alegra simulations.
Basaltic ring structures (BRSs) are enigmatic, quasi-circular landforms in eastern Washington State that were first recognized in 1965. They remained a subject of geologic scrutiny through the 1970 s and subsequently faded from the spotlight, but recent Mars Orbiter Camera (MOC) images showing morphologically similar structures in Athabasca Valles, Mars, have sparked renewed interest in BRSs. The only known BRSs occur in the Channeled Scabland, a region where catastrophic Pleistocene floods from glacial Lake Missoula eroded into the Miocene flood basalts of the Columbia Plateau. The geologic setting of the martian ring structures (MRSs) is similar; Athabasca Valles is a young channel system that formed when catastrophic aqueous floods carved into a volcanic substrate. This study investigates the formation of terrestrial BRSs and examines the extent to which they are appropriate analogs for the MRSs in Athabasca Valles.
We report hybrid and all-inorganic, vacancy-ordered double perovskites of d 2 W 4+ with the formula A 2 WCl 6 (A = CH 3 NH 3 + , Rb + , and Cs + ). These compounds, which are reddish in color, can be distinguished from structurally similar compounds obtained by hydrothermal methods on the basis of structure, spectroscopic, and magnetic properties. The latter are green and incorporate oxygen, with the actual formula Cs 2 WO x Cl 6–x and distinct optical absorption and emission behavior. Furthermore, the local-moment magnetism of the pure-red d 2 compounds reported here does not correspond to the appropriate Kotani model, suggesting as-yet undiscovered physics in these systems.