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At least 343 records · Page 19

BioCARS: Synchrotron facility for probing structural dynamics of biological macromolecules

A major goal in biomedical science is to move beyond static images of proteins and other biological macromolecules to the internal dynamics underlying their function. This level of study is necessary to understand how these molecules work and to engineer new functions and modulators of function. Stemming from a visionary commitment to this problem by Keith Moffat decades ago, a community of structural biologists has now enabled a set of x-ray scattering technologies for observing intramolecular dynamics in biological macromolecules at atomic resolution and over the broad range of timescales over which motions are functionally relevant. Many of these techniques are provided by BioCARS, a cutting-edge synchrotron radiation facility built under Moffat leadership and located at the Advanced Photon Source at Argonne National Laboratory. BioCARS enables experimental studies of molecular dynamics with time resolutions spanning from 100 ps to seconds and provides both time-resolved x-ray crystallography and small- and wide-angle x-ray scattering. Structural changes can be initiated by several methods—UV/Vis pumping with tunable picosecond and nanosecond laser pulses, substrate diffusion, and global perturbations, such as electric field and temperature jumps. Studies of dynamics typically involve subtle perturbations to molecular structures, requiring specialized computational techniques for data processing and interpretation. In this review, we present the challenges in experimental macromolecular dynamics and describe the current state of experimental capabilities at this facility. As Moffat imagined years ago, BioCARS is now positioned to catalyze the scientific community to make fundamental advances in understanding proteins and other complex biological macromolecules.

59 BASIC BIOLOGICAL SCIENCES↗

OAST Theme Workshop. Volume 3: Working group summary. 8: Structures, dynamics (M-2). A. Statement. B. Technology needs (form 1). C. Priority assessments (form 2)

A technology program on large space structures was defined to respond to common need perceived for five of the six themes. Greatly expanded power, facilities, and communications/sensing requirements appear to demand a new structures technology for construction in space. Requirements to construct huge structural arrays with precision surfaces in space will need creative research efforts to identify practical structural elements and construction techniques. Requirements for advanced transportation structures were defined to respond to the space transportation theme. Because of the criticality of thermal structures to achieve lower cost transportation systems, renewed emphasis on technology in this area is recommended. A second technology needing renewed emphasis is the area of recovery and landing technology structures to permit full reuse of launch vehicle propulsion elements.

Source record↗

Ground facility for large space structures dynamics and control verification

NASA Marshall Space Flight Center has developed a facility in which closed loop control of Large Space Structures (LSS) can be demonstrated and verified. The main objective of the facility is to verify LSS control system techniques so that on-orbit performance can be unsured. The facility consists of an LSS test article or payload which is connected to a 3-axis angular pointing mount assembly that provides control torque commands. The angular pointing mount assembly is attached to a base excitation system which will simulate disturbances most likely to occur for Orbiter and DOD payloads. The control computer contains the calibration software, the reference systems, the alignment procedures, the telemetry software, and the control algorithms. The total system is suspended in such a fashion that the LSS test article has the characteristics common to all LSS.

Waites, Henry↗

Ground facility for Large Space Structures dynamics and control verification

NASA Marshall Space Flight Center has developed a facility in which closed loop control of Large Space Structures (LSS) can be demonstrated and verified. The main objective of the facility is to verify LSS control system techniques so that on-orbit performance can be ensured. The facility consists of an LSS test article or payload which is connected to a 3-axis angular pointing mount assembly that provides control torque commands. The angular pointing mount assembly is attached to a base excitation system which will simulate disturbances most likely to occur for Orbiter and DOD payloads. The control computer contains the calibration software, the reference systems, the alignment procedures, the telemetry software, and the control algorithms. The total system is suspended in such a fashion that the LSS test article has the characteristics common to all LSS.

Waites, Henry↗

Structural dynamics of the renewable energy economy: A longitudinal input-output insights for a resilient transition

As countries accelerate their energy transitions, understanding how renewable energy (RE) systems structurally integrate into national economies is essential. This study presents a longitudinal economic input-output (EIO) analysis of the renewable energy sector in South Korea from 2016 to 2022. We develop a novel EIO-based framework that disaggregates the RE sector both by energy source (thermal, hydro, nuclear and renewable) and by industrial function (manufacturing, generation, and services), allowing for a detailed assessment of production dynamics, value-added creation, and import dependency. By quantifying backward and forward linkages and induced economic effects, the analysis reveals persistent structural vulnerabilities in renewable manufacturing and increasing sectoral interdependencies. Results reveal that while the renewable energy sector's production and value-added shares have increased, critical segments remain highly import-dependent, particularly in equipment manufacturing. The analysis highlights systemic gaps in domestic supply chain resilience and offers sector-specific insights for reducing vulnerability and enhancing energy security. Although applied to South Korea as a case study, the proposed framework is designed to be transferable to other national contexts where renewable energy planning requires economic structural insights. The findings offer policy-relevant guidance for enhancing domestic energy resilience and aligning industrial strategy with long-term decarbonization goals.

Economic linkage↗

Double diffraction imaging of x-ray induced structural dynamics in single free nanoparticles

Abstract Because of their high photon flux, x-ray free-electron lasers (FEL) allow to resolve the structure of individual nanoparticles via coherent diffractive imaging (CDI) within a single x-ray pulse. Since the inevitable rapid destruction of the sample limits the achievable resolution, a thorough understanding of the spatiotemporal evolution of matter on the nanoscale following the irradiation is crucial. We present a technique to track x-ray induced structural changes in time and space by recording two consecutive diffraction patterns of the same single, free-flying nanoparticle, acquired separately on two large-area detectors opposite to each other, thus examining both the initial and evolved particle structure. We demonstrate the method at the extreme ultraviolet (XUV) and soft x-ray Free-electron LASer in Hamburg (FLASH), investigating xenon clusters as model systems. By splitting a single XUV pulse, two diffraction patterns from the same particle can be obtained. For focus intensities of about 2 × 10 12 W cm −2 we observe still largely intact clusters even at the longest delays of up to 650 picoseconds of the second pulse, indicating that in the highly absorbing systems the damage remains confined to one side of the cluster. Instead, in case of five times higher flux, the diffraction patterns show clear signatures of disintegration, namely increased diameters and density fluctuations in the fragmenting clusters. Future improvements to the accessible range of dynamics and time resolution of the approach are discussed.

Sauppe, M. (ORCID:0000000163123102)↗

Revealing meso-structure dynamics in additive manufacturing of energy storage via operando coherent X-ray scattering

3D printing is an emerging technology for the fabrication of energy storage devices, offering advantages over traditional manufacturing methods. However, optimization and design of such devices requires an understanding of the meso-structure formation during the 3D printing process. This study utilizes operando coherent X-ray scattering, X-ray Photon Correlation Spectroscopy (XPCS), to study the spatiotemporally-resolved far-from-equilibrium dynamics during direct ink writing 3D printing. Here, Lithium Titanate (LTO) based ink is prepared and rheologically tested for its shear-thinning properties. Two-time intensity-intensity functions are calculated to be used in subsequent quantitative analysis, which allows for an overall characterization of the dynamics, description of an initial fast decorrelation and identification of sudden rearrangements of subdomains of the sample. The results show the dynamics to be anisotropic, spatiotemporally heterogenous and marked by distinct rearrangement events, all of which impact the electrochemical performance of energy storage devices. The studied 3D printing ink is used to fabricate electrodes which are then electrochemically tested, showing good performance in cycling and retaining structural integrity. This work furthers the understanding of the far-from-equilibrium material dynamics during 3D printing, giving quantitative characterization of this process, and highlights aspects of structure formation relevant to the electrochemical performance of the resultant energy storage device.

36 MATERIALS SCIENCE↗

Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides

Vascular tone is dependent on smooth muscle K ATP channels comprising pore-forming Kir6.1 and regulatory SUR2B subunits, in which mutations cause Cantú syndrome. Unique among K ATP isoforms, they lack spontaneous activity and require Mg-nucleotides for activation. Structural mechanisms underlying these properties are unknown. Here, we determined cryogenic electron microscopy structures of vascular K ATP channels bound to inhibitory ATP and glibenclamide, which differ informatively from similarly determined pancreatic K ATP channel isoform (Kir6.2/SUR1). Unlike SUR1, SUR2B subunits adopt distinct rotational “propeller” and “quatrefoil” geometries surrounding their Kir6.1 core. The glutamate/aspartate-rich linker connecting the two halves of the SUR-ABC core is observed in a quatrefoil-like conformation. Molecular dynamics simulations reveal MgADP-dependent dynamic tripartite interactions between this linker, SUR2B, and Kir6.1. The structures captured implicate a progression of intermediate states between MgADP-free inactivated, and MgADP-bound activated conformations wherein the glutamate/aspartate-rich linker participates as mobile autoinhibitory domain, suggesting a conformational pathway toward K ATP channel activation.

59 BASIC BIOLOGICAL SCIENCES↗

Structural dynamic and thermal stress analysis of nuclear reactor vessel support system

A nuclear reactor vessel is supported by a Z-ring and a box ring girder. The two proposed structural configurations to transmit the loads from the Z-ring and the box ring girder to the foundation are shown. The cantilever concrete ledge transmitting the load from the Z-ring and the box girder via the cavity wall to the foundation is shown, along with the loads being transmitted through one of the six steel columns. Both of these two supporting systems were analyzed by using rigid format 9 of NASTRAN for dynamic loads, and the thermal stresses were analyzed by AXISOL. The six column configuration was modeled by a combination of plate and bar elements, and the concrete cantilever ledge configuration was modeled by plate elements. Both configurations were found structurally satisfactory; however, nonstructural considerations favored the concrete cantilever ledge.

Chi-Diango, J.↗

Structural dynamic analysis on a parallel computer - The finite element machine

Recent and prospective advances in parallel multiple introduction multiple data (MIMD) computers offer significant improvements in the range of structural problems that can be solved, as well as the speed of solutions. These improvements have their basis in the effective selection and implementation of algorithms exploiting parallel computation. Attention is presently given to the solution of the transient response calculations of an experimental MIMD computer designated the 'Finite Element Machine', including its algorithm and its results for representative one- and two-dimensional dynamic response test problems. A factor of 6.5 is noted for the computational speed improvement.

Storaasli, O.↗

Flight-vehicle materials, structures, and dynamics - Assessment and future directions. Vol. 5 - Structural dynamics and aeroelasticity

Various papers on flight vehicle materials, structures, and dynamics are presented. Individual topics addressed include: general modeling methods, component modeling techniques, time-domain computational techniques, dynamics of articulated structures, structural dynamics in rotating systems, structural dynamics in rotorcraft, damping in structures, structural acoustics, structural design for control, structural modeling for control, control strategies for structures, system identification, overall assessment of needs and benefits in structural dynamics and controlled structures. Also discussed are: experimental aeroelasticity in wind tunnels, aeroservoelasticity, nonlinear aeroelasticity, aeroelasticity problems in turbomachines, rotary-wing aeroelasticity with application to VTOL vehicles, computational aeroelasticity, structural dynamic testing and instrumentation.

Noor, Ahmed K.↗

The Dynamic Structure of Coronal Hole Boundaries

The boundaries of solar coronal holes are difficult to uniquely define observationally but are sites of interest in part because the slow solar wind appears to originate there. The aim of this article is to explore the dynamics of interchange magnetic reconnection at different types of coronal hole boundaries—namely streamers and pseudostreamers—and their implications for the coronal structure. We describe synthetic observables derived from three-dimensional magnetohydrodynamic simulations of the atmosphere of the Sun in which coronal hole boundaries are disturbed by flows that mimic the solar supergranulation. Our analysis shows that interchange reconnection takes place much more readily at the pseudostreamer boundary of the coronal hole. As a result, the portion of the coronal hole boundary formed by the pseudostreamer remains much smoother, in contrast to the highly distorted helmet-streamer portion of the coronal hole boundary. Our results yield important new insights on coronal hole boundary regions, which are critical in coupling the corona to the heliosphere as the formation regions of the slow solar wind.

V Aslanyan↗

Structural Dynamic Analysis of a Spacecraft Multi-DOF Shaker Table

Finite element enforced response analysis was performed on a three axis expander head shaker table to aid in the design of the table structure and vibration control system. The payload for this shaker system is a generic spacecraft with a multitude of flexible modes across a broad frequency band. A Craig-Bampton representation of the spacecraft was used to expedite analysis of multiple shaker table designs. The analysis examines the required forces in the actuators for a constant amplitude base acceleration sine sweep test, the resulting forces in the spacecraft and table attachment restraints, and the resulting accelerations on the spacecraft structure. The results show the spacecraft response is very high at the spacecraft center of gravity (CG) due to the high CG offset and cantilever effect of the low frequency spacecraft bending modes. The high response can be addressed by "notching" the input vibration levels to avoid over-testing the spacecraft. At frequencies above 25 Hz, the spacecraft modal effective masses are very small, and the response of the shaker table dominates the response. Anti-resonances of the shaker table in the frequency range of interest reduce the acceleration output and require much higher actuator forces to achieve the acceleration specification. These effects may require stiffening the shaker structure to move the modes out of the test frequency range or increasing the shaker table damping.

Pray, Carl↗

Correlating Broadband Photoluminescence with Structural Dynamics in Layered Hybrid Halide Perovskites

The emission of white light from a single material is atypical and is of interest for solid-state lighting applications. Broadband light emission has been observed in some layered perovskite derivatives, A 2 PbBr 4 (A = R-NH 3 + ), and correlates with static structural distortions corresponding to out-of-plane tilting of the lead bromide octahedra. While materials with different organic cations can yield distinct out-of-plane tilts, the underlying origin of the octahedral tilting remains poorly understood. Using high energy resolution (e.g., quasi-elastic) neutron scattering, this contribution details the rotational dynamics of the organic cations in A 2 PbBr 4 materials where A = n-butylammonium (nBA), 1,8-diaminooctammonium (ODA), and 4-aminobutyric acid (GABA). The organic cation dynamics differentiate (nBA) 2 PbBr 4 from (ODA)PbBr 4 or (GABA) 2 PbBr 4 in that the larger spatial extent of dynamics of nBA yields a larger effective cation radius. The larger effective volume of the nBA cation in (nBA) 2 PbBr 4 yields a closer to ideal A-site geometry, preventing the out-of-plane tilt and broadband luminescence. In all three compounds, we observe hydrogen dynamics attributed to rotation of the ammonium headgroup and at a time scale faster than the white light photoluminescence studied by time-correlated single photon counting spectroscopy. This supports a previous assignment of the broadband emission as resulting from a single ensemble, such that the emissive excited state experiences many local structures faster than the emissive decay. Furthermore, the findings presented here highlight the role of the organic cation and its dynamics in hybrid organic–inorganic perovskites and white light emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural dynamic interaction with solar tracking control for evolutionary Space Station concepts

The sun tracking control system design of the Solar Alpha Rotary Joint (SARJ) and the interaction of the control system with the flexible structure of Space Station Freedom (SSF) evolutionary concepts are addressed. The significant components of the space station pertaining to the SARJ control are described and the tracking control system design is presented. Finite element models representing two evolutionary concepts, enhanced operations capability (EOC) and extended operations capability (XOC), are employed to evaluate the influence of low frequency flexible structure on the control system design and performance. The design variables of the control system are synthesized using a constrained optimization technique to meet design requirements, to provide a given level of control system stability margin, and to achieve the most responsive tracking performance. The resulting SARJ control system design and performance of the EOC and XOC configurations are presented and compared to those of the SSF configuration. Performance limitations caused by the low frequency of the dominant flexible mode are discussed.

Lim, Tae W.↗