Crystal structure reconstruction in the surface monolayer of the quantum spin liquid candidate α-RuCl3
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99 GENERAL AND MISCELLANEOUS↗
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STARS: A general-purpose finite element computer program for analysis of engineering structures
STARS (Structural Analysis Routines) is primarily an interactive, graphics-oriented, finite-element computer program for analyzing the static, stability, free vibration, and dynamic responses of damped and undamped structures, including rotating systems. The element library consists of one-dimensional (1-D) line elements, two-dimensional (2-D) triangular and quadrilateral shell elements, and three-dimensional (3-D) tetrahedral and hexahedral solid elements. These elements enable the solution of structural problems that include truss, beam, space frame, plane, plate, shell, and solid structures, or any combination thereof. Zero, finite, and interdependent deflection boundary conditions can be implemented by the program. The associated dynamic response analysis capability provides for initial deformation and velocity inputs, whereas the transient excitation may be either forces or accelerations. An effective in-core or out-of-core solution strategy is automatically employed by the program, depending on the size of the problem. Data input may be at random within a data set, and the program offers certain automatic data-generation features. Input data are formatted as an optimal combination of free and fixed formats. Interactive graphics capabilities enable convenient display of nodal deformations, mode shapes, and element stresses.
Gupta, K. K.↗
Modal dynamics of wind turbine wake meandering from lidar observations
Horizontal scans from nacelle-mounted lidars provide time series measurements of wind turbine wakes across diverse atmospheric conditions, enabling analysis of coherent turbulent structures that influence wake meandering through proper orthogonal decomposition (POD). While low-order modes capture the most energetic turbulent structures, our analysis reveals that they do not necessarily dominate wake meandering dynamics. We evaluate more than 16,000 combinatorial reconstructions of the flow field for each inflow case, demonstrating that mode relevance depends on mode symmetry, turbulent kinetic energy content, and inflow characteristics. Cases with low turbulence intensity and large integral timescales show stronger correlations between POD modes and wake meandering, whereas higher turbulence conditions (turbulence intensity > 7%) are less effectively described by reduced-order models. However, the qualitative similarity of POD modes across varied atmospheric conditions suggests the potential existence of a semi-universal basis for representing wind turbine wakes, with implications for improving engineering wake models.
17 WIND ENERGY↗
Structural and chemical complexity of minerals: An update
The complexities of chemical composition and crystal structure are fundamental characteristics of minerals that have high relevance to the understanding of their stability, occurrence and evolution. This review summarises recent developments in the field of mineral complexity and outlines possible directions for its future elaboration. The database of structural and chemical complexity parameters of minerals is updated by H-correction of structures with unknown H positions and the inclusion of new data. The revised average complexity values (arithmetic means) for all minerals are 3.54(2) bits/atom and 345(10) bits/cell (based upon 4443 structure reports). The distributions of atomic information amounts, chemIG and strIG, versus the number of mineral species fit the normal modes, whereas the distributions of total complexities, chemIG,total and strIG,total, along with numbers of atoms per formula and per unit cell are log normal. The three most complex mineral species known today are ewingite, morrisonite and ilmajokite, all either discovered or structurally characterised within the last five years. The most important complexity-generating mechanisms in minerals are: (1) the presence of isolated large clusters; (2) the presence of large clusters linked together to form three-dimensional frameworks; (3) formation of complex three-dimensional modular frameworks; (4) formation of complex modular layers; (5) high hydration state in salts with complex heteropolyhedral units; and (6) formation of ordered superstructures of relatively simple structure types. The relations between symmetry and complexity are considered. The analysis of temporal dynamics of mineralogical discoveries since 1875 with the step of 25 years show the increasing chemical and structural complexities of human knowledge of the mineral kingdom in the history of mineralogy. In the Earth’s history, both diversity and complexity of minerals experience dramatic increases associated with the formation of Earth’s continental crust, initiation of plate tectonics and the Great Oxidation event.
complexity↗
Unravel unusual hardening behavior of a Pd–Ni–P metallic glass in its supercooled liquid region
Monolithic metallic glasses often exhibit work softening induced by high atom mobility in the supercooled liquid region in tension. In this work, we report an unusual viscous flow of the Pd 42.5 Ni 42.5 P 15 metallic glass in its supercooled liquid region, which is characterized by a remarkable hardening behavior with decent plasticity during tension. To unravel the causes of this unusual hardening, we conducted structural and thermodynamic analyses by employing several experiments, including dynamic mechanical analysis, differential scanning calorimetry, high-resolution transmission electron microscopy, and in situ heating synchrotron high-energy x-ray diffraction. It was found that the unusual hardening behavior was attributed to structural ordering during deformation, rather than nanocrystallization or structural relaxation observed, sometimes, in metallic glasses deformed in supercooled liquid region. We also incorporated an additional work hardening region in the modified deformation map for metallic glasses.
36 MATERIALS SCIENCE↗
Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1,3-Dioxolane and 1,2-Dimethoxyethane
Molecular clustering and associated dynamic processes of lithium polysulfide species were unraveled using classical molecular dynamics and ab initio metadynamics calculations. The spectroscopic signatures of polysulfide clusters were analyzed using a multimodal analysis including experimental and computational nuclear magnetic resonance (NMR) and X-ray absorption spectroscopies. Lithium polysulfide solutes (Li 2 S 4 , Li 2 S 6 , and Li 2 S 8 ) and their mixtures in a 1,3-dioxolane and 1,2-dimethoxyethane (DOL/DME) solvent undergo aggregation driven by intramolecular lithium–sulfur (Li–S) interactions, leading to distributions of cluster sizes, which could critically influence the functioning of lithium–sulfur batteries. Representative polysulfide clusters with systematic increases in molecular size were extracted from the classical molecular dynamics trajectories for subsequent structural and spectroscopic property calculations using density functional theory analysis. Structural analysis of these clusters reveals progressively decreasing solvent involvement in Li+ coordination varying from Li 2 S 4 to Li 2 S 8 , with more pronounced variation and changes in DME compared with those in DOL. These observations are reflected in the analysis of the experimental and theoretical 7 Li and 17 O NMR chemical shifts and pulsed field gradient-NMR diffusion measurements. A comparison of experimental and theoretical S K-edge X-ray absorption near edge spectra shows that relatively large lithium sulfide chain clusters are likely to occur in the DOL/DME-solvated lithium sulfide systems. Ab initio metadynamics simulations and NMR analysis indicate that Li + solvated by only the solvent can occur through Li + dissociation from sulfide chains. However, the occurrence of “sulfide-free” Li + is a minor mechanism compared with the dynamic aggregation and shuttling processes of polysulfide solvates in DOL/DME-based electrolytes of Li–S batteries. Overall, atomistic insights gained about clustering and lithium exchange dynamics will be critical for the predictive understanding of the polysulfide shuttling and nucleation process that dictates the Li–S battery performance.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
The Development of Large Inflatable Antenna for Deep-Space Communications
NASA/JPL's deep-space exploration program has been placing emphasis on reducing the mass and stowage volume of its spacecraft's high-gain and large-aperture antennas. To achieve these goals, the concept of deployable flat reflectarray antenna using an inflatable/thin-membrane structure was introduced at JPL several years ago. A reflectarray is a flat array antenna space-fed by a low-gain feed located at its focal point in a fashion similar to that of a parabolic reflector. The ref1ectarray's elements, using microstrip technology, can be printed onto a flat thin-membrane surface and are each uniquely designed to compensate for the different phase delays due to different path lengths from the feed. Although the reflectarray suffers from limited bandwidth (typically < 10%), it offers a more reliably deployed and maintained flat "natural" surface. A recent hardware development at JPL has demonstrated that a 0.2mm rms surface tolerance (l/50th of a wavelength) was achieved on a 3-meter Ka-band inflatable reflectarray. Another recent development, to combat the reflectarray's narrow band characteristic, demonstrated that dual-band performance, such as X- and Ka-bands, with an aperture efficiency of above 50 percent is achievable by the reflectarray antenna. To mechanically deploy the antenna, the reflectarray's thin membrane aperture surface is supported, tensioned and deployed by an inflatable tubular structure. There are several critical elements and challenging issues associated with the inflatable tube structure. First, the inflatable tube must be made rigidizable so that, once the tube is fully deployed in space, it rigidizes itself and the inflation system is no longer needed. In addition, if the tube is penetrated by small space debris, the tube will maintain its rigidity and not cause deformation to the antenna structure. To support large apertures (e.g. 10m or beyond) without causing any buckling to the small-diameter inflatable tube during vibration, the tube, in addition to rigidization, is also reinforced by circumferential thin blades, as well as axial blades. Second, a controlled deployment mechanism, such as by using Velcro strips, must also be implemented into the system so that, for very large structures, the long inflatable tubes can be deployed in a time-controlled fashion and not get tangled with each other. Third, the thermal analysis is another critical element and must be performed for the tube design in order to assure that the inflated tube, under extreme space thermal conditions, will not deform significantly. Finally, the dynamic vibration analysis must also be performed on the inflatable structure. This will investigate the response of the structure due to excitation introduced by the spacecraft maneuvering and thus determine any necessary damping. Several reflectarray antennas have been developed at JPL to demonstrate the technology. These include an earlier 1-meter X-band inflatable reflectarray, a 3-meter Ka-band inflatable reflectarray, a half-meter dual-band (X and Ka) reflectarray, and the current on-going 10-meter inflatable structure development. The detailed RF and mechanical descriptions of these antennas, as well as their performances, will be presented during the conference.
inflatable antenna↗
Behavior sensitivities for control augmented structures
During the past few years it has been recognized that combining passive structural design methods with active control techniques offers the prospect of being able to find substantially improved designs. These developments have stimulated interest in augmenting structural synthesis by adding active control system design variables to those usually considered in structural optimization. An essential step in extending the approximation concepts approach to control augmented structural synthesis is the development of a behavior sensitivity analysis capability for determining rates of change of dynamic response quantities with respect to changes in structural and control system design variables. Behavior sensitivity information is also useful for man-machine interactive design as well as in the context of system identification studies. Behavior sensitivity formulations for both steady state and transient response are presented and the quality of the resulting derivative information is evaluated.
Manning, R. A.↗
Parallel processing for nonlinear dynamics simulations of structures including rotating bladed-disk assemblies
The principal objective of this research is to develop, test, and implement coarse-grained, parallel-processing strategies for nonlinear dynamic simulations of practical structural problems. There are contributions to four main areas: finite element modeling and analysis of rotational dynamics, numerical algorithms for parallel nonlinear solutions, automatic partitioning techniques to effect load-balancing among processors, and an integrated parallel analysis system.
Hsieh, Shang-Hsien↗
Impact Assessment of All-Sky TROPICS Microwave Observations on the NASA GEOS Analyses and Forecasts and Progress to Use the Data in the JEDI-GEOS Analysis System
The NASA Time-Resolved Observations of Precipitation structure and storm Intensity with a Constellation of Smallsats (TROPICS) mission is a constellation of small satellites carrying state-of-art microwave temperature and humidity sounders with 12 channels between 91 GHz and 205 GHz frequency. Including TROPICS-pathfinder, launched on 30 June 2021, five TROPICS CubeSats operate and provide temperature and humidity data to NWP and atmospheric retrieval communities. This study is dedicated to evaluating the impact of the TROPICS satellite constellation microwave observations in numerical weather prediction (NWP) using the NASA Goddard Earth Observing System (GEOS). The TROPICS-01 (TROPICS-Pathfinder), TROPICS-03, TROPICS-05, and TROPICS-06 data in all-sky conditions over the ocean during the period of 25 July 2023 and 6 September 2023 are used for assessing forecast impacts on global NWP analysis and five-day forecasts. A series of experiments are carried out to measure the benefits of assimilating observations from only temperature sounders, water vapor sounders, and both sounders. Statistical analysis of the Observing System Experiments (OSEs) results has shown incremental improvements in global model forecast skills for critical geophysical parameters, including temperature, winds, and geopotential heights. The results demonstrate the potential of the TROPICS-like data to positively impact NWP by adding new information to the current observation and forecast system. In another set of experiments, the TROPICS-03, TROPICS-05, and TROPICS-06 data sets are added to the TROPICS-01 one by one to evaluate the impacts of increasing the revisit rate of TROPICS satellite measurements on NWP analysis for a tropical cyclone’s dynamical and microphysical structures. This study offers important insights into the capabilities of a new generation of small satellite microwave radiometers based on emerging technologies, including their unique measurements at 118 GHz and 205 GHz that are not available in traditional operational microwave sounders. Finally, the efforts to implement these new developments for TROPICS in the JEDI-GEOS atmospheric data assimilation system are in progress, and preliminary results from cycled JEDI-GEOS data assimilation experiments are presented.
Min-Jeong Kim↗
Investigation of the small-scale structure and dynamics of Uranus' atmosphere
This document constitutes the final technical report of the Uranus Analysis Program. Papers and/or abstracts resulting from this research are presented. The following topics are covered: (1) past and future of radio occultation studies of planetary atmospheres; (2) equatorial waves in the stratosphere of Uranus; (3) the atmosphere of Uranus- results of radio occultation measurements with Voyager 2; (4) Uranus' atmospheric dynamics and circulation; (5) small-scale structure and dynamics in the atmosphere of Uranus; (6) evidence for inertia-gravity waves in the stratosphere of Uranus derived from Voyager 2 radio occultation data; and (7) planetary waves in the equatorial stratosphere of Uranus.
Eshleman, Von R.↗
Atomic-Scale STEM Analysis Shows Structural Changes of Au–Pd Nanoparticles in Various Gaseous Environments
We report dynamical restructuring effects in free-standing Au 0.75 Pd 0.25 nanoparticles occurring in gaseous environments at elevated temperatures. The freshly prepared sample was found to have a core–shell structure with a Pd-rich phase on the surface. The evolution of sample composition and morphology under exposure to 1 bar of pure gases, namely O 2 , H 2 , air, CO, and CO 2 , at different temperatures was studied using in situ scanning transmission electron microscopy (STEM) and energy-dispersive X-ray spectroscopy (EDS). We observed sharper facets on the surface of the particles under O 2 or air at 400 °C. Small islands of Pd were present on the surface, although some Pd was redistributed inside the bulk when the temperature was increased under O 2 . Subtle changes in surface roughness were noted when O 2 was substituted with H 2 at 400 °C, an observation correlated to density functional theory (DFT) calculations. The particles lost clean surface facets when CO was introduced at room temperature and at 200 °C. No substantial changes could be observed after exposure to CO 2 at 250 °C. The adsorption of CO molecules on the surface modifies the surface of the particles and decreases the facet prevalence. Furthermore, these in situ observations show how gases can induce subtle modification of the surface of nanocatalysts, potentially impacting their chemical properties.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Assessment of dynamic analyses for deploying space truss structures
A selected list of references on the analysis of the deployment concepts for large space truss structures are reviewed. The stability of the deployment process is discussed, and stable methods of deployment mentioned. Analytical and experimental needs to assess feasibility and performance of proposed deployment concepts are outlined.
Weidman, D.↗
Dynamic Analysis for Space Station Freedom
This video utilizes computer animations to identify the structure, functions, and design of the Space Station Freedom.
Source record↗
Aeroelastic analysis of advanced propellers using an efficient Euler solver
A 3D Euler solver is coupled with a 3D structural dynamics model to investigate flutter of propfans. A hybrid scheme is used to reduce computational time for the Euler equations and a normal mode analysis is used for flutter calculations. Experimental and calculated flutter results are compared for an advanced propeller propfan which experienced flutter at transonic tip relative velocities. The predicted flutter calculations are in close agreement with the experimental data. A structural damping value of 0.5 percent was required to predict the behavior observed in the experiment. Computations show that the flutter behavior is dominated by the second mode, but coupling with the first mode is required. The addition of other modes to the calculations did not affect the flutter behavior.
Srivastava, R.↗
Atomic structure and grain shape evolution of nanodiamond during annealing in oxidizing atmosphere from neutron diffraction and MD simulations
In this work, real space pair-distribution function (PDF) analysis in conjunction with molecular dynamics (MD) simulations was applied to characterize crystal structure, shape and surface structure of diamond nanoparticles annealed in air up to 880 °C. MD simulated models of individual nanodiamond particles of various shapes and sizes were used to calculate theoretical radial distribution functions G(r) for powders with different grain size distributions. The calculated curves, showing distinct differences for the explored parameter space, were compared to the experimental G(r) functions obtained from neutron scattering for annealed detonated nanodiamond samples in a search for a model best describing the actual powders. It was found that as-synthesized nanodiamond grains are terminated by equally abundant (100), (110) and (111) crystallographic faces and their structure does not change upon annealing in air up to 280 °C. The shape and size of grains annealed above 480 °C changes due to surface etching. The etching rate differs between crystals faces and depends on temperature, resulting in the observed differences in grain shape. Below 680 °C the share of the (110) facets gradually increases and at 680 °C the grains become rhombic dodecahedra terminated solely by (110) surfaces. Further increase of the annealing temperature promotes formation of (111) surfaces and at 880 °C the preferred grain shape becomes an octahedron terminated by a variant of (111) surfaces possessing three dangling sp3 bonds per atom. At lower temperatures all grains become smaller and the size distribution moves towards the lower values. Furthermore, as the annealing temperature increases, the smallest grains disappear entirely and the average grain size grows back.
36 MATERIALS SCIENCE↗
Dynamic and static modeling of the shuttle orbiter's thermal protection system
The dynamic and static analysis methods used to model the nonlinear structural behavior of the Shuttle Orbiter's tile/pad thermal protection system are discussed. The structural evaluation of the tile/pad system is complicated by the nonlinear stiffening, hysteresis and viscosity exhibited by the pad material. Application of the analysis to square tiles subject to sinusoidal and random excitation is presented along with appropriate test data. Correlation is considered good. In order to treat the stress analysis of thousands of individual tiles, a nonlinear static analysis was developed which utilizes equivalent static loads derived from the dynamic environment. Tensile stress at the bondline is examined in thousands of unique tiles.
Housner, J. M.↗
Intermittent Frontogenesis in the Alboran Sea
Abstract We present a phenomenological description and dynamical analysis of the Alboran fronts using a realistic simulation at submesoscale resolution. The study is focused on east Alboran fronts emerging within relatively strong flows that separate from the Spanish coast into the basin interior. Despite modest lateral shifting associated with the position of the Alboran anticyclonic gyres and variations in intensity, these fronts present a similar structure and dynamical configuration as the climatological Almeria–Oran front. The statistical analysis of our solution shows that strained-induced frontogenesis is a recurrent submesoscale mechanism associated with these fronts, and the process is assessed in terms of the advective Lagrangian frontogenetic tendencies associated with buoyancy and velocity horizontal gradients. Intermittency in their strength and patterns is indicative of high variability in the occurrence of active frontogenesis in association with the secondary (overturning) circulation across the frontal gradient. As a result, we find many episodes with strong surface fronts that do not have much associated downwelling. Frontogenesis and the associated secondary circulation are further explored during two particular frontal events, both showing strong downwelling of (1) cm s −1 extending down into the pycnocline. A frontogenetic contribution of turbulent vertical momentum mixing to the secondary circulation is identified in the easternmost region during the cold season, when the dynamics are strongly influenced by the intrusion of the salty Northern Current. The background vertical velocity fields observed during the analyzed events indicate other currents in the submesoscale range, including tidal and topographic internal waves.
Capó, Esther↗