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At least 127 records · Page 7

Exploring fingerprints of ultrafast structural dynamics in molecular solutions with an X-ray laser

We apply ultrashort x-ray laser pulses to track optically excited structural dynamics of [Ir 2 (dimen) 4 ] 2+ molecules in solution. In our exploratory study we determine angular correlations in the scattered x-rays, which comprise a complex fingerprint of the ultrafast dynamics. Model-assisted analysis of the experimental correlation data allows us to elucidate various aspects of the photoinduced changes in the excited molecular ensembles. We unambiguously identify that in our experiment the photoinduced transition dipole moments in [Ir 2 (dimen) 4 ] 2+ molecules are oriented perpendicular to the Ir-Ir bond. The analysis also shows that the ground state conformer of [Ir 2 (dimen) 4 ] 2+ with a larger Ir–Ir distance is mostly responsible for the formation of the excited state. We also reveal that the ensemble of solute molecules can be characterized with a substantial structural heterogeneity due to solvent influence. In conclusion, the proposed x-ray correlation approach offers an alternative path for studies of ultrafast structural dynamics of molecular ensembles in the liquid and gas phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Augmenting the Structural Dynamics Workflow to Reduce Development Times [Slides]

The structural dynamics workflow at LANL stands to be improved by implementing methods and techniques related to reduced-order finite-element modeling (FEM), pretest predictions, and FEM-test correlation and updating. The benefits of these industry-standard practices are demonstrated in this work. Software used for this project included Ansys 2023 R2 (Mechanical and Spaceclaim), Creo Parametric 8.0, MathCAD Prime 8.0, Matlab R2023b.

42 ENGINEERING↗

On incorporating damping and gravity effects in models of structural dynamics of the SCOLE configuration

The damping for structural dynamic models of flexible spacecraft is usually ignored and then added after modal frequencies and mode shapes are calculated. It is common practice to assume the same damping ratio for all modes, although it is known that damping due to bending and that due to torsion are sometimes ignored. Two methods of including damping in the modeling process from its onset are examined. First, the partial derivative equations of motion are analyzed for a pinned-pinned beam with damping. The end conditions are altered to handle bodies with mass and inertia for the Spacecraft Control Laboratory Experiment (SCOLE) configuration. Second, a massless beam approximation is used for the modes with low frequencies, and a clamped-clamped system is used to approximate the modes for arbitrarily high frequency. The model is then modified to include gravity effects and is compared with experimental results.

Taylor, Larry↗

Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses

X-ray free-electron lasers (XFELs) enable crystallographic structure determination beyond the limitations imposed upon synchrotron measurements by radiation damage. The need for very short XFEL pulses is relieved through gating of Bragg diffraction by loss of crystalline order as damage progresses, but not if ionization events are spatially non-uniform due to underlying elemental distributions, as in biological samples. Indeed, correlated movements of iron and sulfur ions were observed in XFEL-irradiated ferredoxin microcrystals using unusually long pulses of 80 fs. Here, we report a femtosecond time-resolved X-ray pump/X-ray probe experiment on protein nanocrystals. We observe changes in the protein backbone and aromatic residues as well as disulfide bridges. Simulations show that the latter’s correlated structural dynamics are much slower than expected for the predicted high atomic charge states due to significant impact of ion caging and plasma electron screening. This indicates that dense-environment effects can strongly affect local radiation damage-induced structural dynamics.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Femtosecond Electronic and Hydrogen Structural Dynamics in Ammonia Imaged with Ultrafast Electron Diffraction

Directly imaging structural dynamics involving hydrogen atoms by ultrafast diffraction methods is complicated by their low scattering cross-sections. Here we demonstrate that megaelectronvolt ultrafast electron diffraction is sufficiently sensitive to follow hydrogen dynamics in isolated molecules. In a study of the photodissociation of gas phase ammonia, we simultaneously observe signatures of the nuclear and corresponding electronic structure changes resulting from the dissociation dynamics in the time-dependent diffraction. Both assignments are confirmed by ab initio simulations of the photochemical dynamics and the resulting diffraction observable. While the temporal resolution of the experiment is insufficient to resolve the dissociation in time, our results here represent an important step towards the observation of proton dynamics in real space and time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling and Verification of Lumped-Parameter, Multibody Structural Dynamics for Offshore Wind Turbines

This paper presents the modeling and verification of multibody structural dynamics for offshore wind turbines. The flexible tower and support structure of a monopile-based offshore wind turbine are modeled using an acausal, lumped-parameter, multibody approach that incorporates structural flexibility, soil-structure interaction, and hydrodynamic models. Simulation results are benchmarked against alternative modeling approaches, demonstrating the model's ability to accurately capture both static and dynamic behaviors under various wind and wave conditions while maintaining computational efficiency. This work provides a valuable tool for analyzing key structural characteristics of wind turbines, including eigenfrequencies, mode shapes, damping, and internal forces.

17 WIND ENERGY↗

Structural dynamics of laser-ionized cis-stilbene studied by ultrafast electron diffraction

Stilbene has been a model system for studying photoisomerization upon absorption of a UV photon. Although the dynamics of the first excited state have been investigated in great detail, the structural dynamics of cationic states remains largely experimentally unexplored. In this study, the dynamics following ionization via absorption of two UV photons was captured using ultrafast electron diffraction. cis-stilbene (CS) was optically pumped with 267 nm ultraviolet light with two different pump fluences and probed with 3.7 MeV electrons. We compare our experimental results to ab-initio multiple spawning simulations for single-photon excitation and molecular dynamics simulations for ionization in order to separate the contributions from the two channels. We found that with a fluence of 170 mJ cm −2 both the single and two-photon channels are present, while with higher fluence of 280 mJ cm −2 the two-photon channel dominates. We did not observe isomerization of the CS cation and found the main structural motion a to be a vibration of the phenyl rings about the central C–C bond.

74 ATOMIC AND MOLECULAR PHYSICS↗

Accelerating structural dynamics simulations with localised phenomena through matrix compression and projection‐based model order reduction

In this work, a novel approach is introduced for accelerating the solution of structural dynamics problems in the presence of localised phenomena, such as cracks. For this category of problems, conventional projection-based Model Order Reduction (MOR) methods are either limited with respect to the range of system configurations that can be represented or require frequent solutions of the Full Order Model (FOM) to update the low-dimensional spaces, in which solutions are represented. In the proposed approach, low-dimensional spaces, constructed for the healthy structure, are enriched with appropriately selected columns of the flexibility matrix of the system. It can be shown that these spaces contain the solution to the original problem for the static case, while their dimension is much smaller. In order to allow their online construction for arbitrary localised features, the full flexibility matrix of the system should be available. To this end, a hierarchical representation is used for the matrices involved, allowing to compute the flexibility matrix efficiently and with reduced memory requirements. The resulting method offers significant speedups, without sacrificing the flexibility and accuracy of the full order model. The performance and limitations of the approach are studied through a series of examples in structural dynamics.

fracture mechanics↗

Structural dynamics and control of large space structures

The focus of the workshop was the basic research program assembled by LaRC to address the fundamental technology deficiencies that were identified in several studies on large space systems (LSS) conducted by NASA in the last several years. The staffs of the respective participants were assembled at the workshop to review the current state of research in the control technology for large structural systems and to plan the efforts that would be pursued by their respective organizations.

Lightner, E. B.↗

Structural Dynamics and Control of Large Space Structures, 1982

Basic research in the control of large space structures is discussed. Active damping and control of flexible beams, active stabilization of flexible antenna feed towers, spacecraft docking, and robust pointing control of large space platform payloads are among the topics discussed.

Brumfield, M. L.↗

Workshop on Structural Dynamics and Control Interaction of Flexible Structures

The Hubble Space Telescope features the most exacting line of sight jitter requirement thus far imposed on a spacecraft pointing system. Consideration of the fine pointing requirements prompted an attempt to isolate the telescope from the low level vibration disturbances generated by the attitude control system reaction wheels. The primary goal was to provide isolation from axial component of wheel disturbance without compromising the control system bandwidth. A passive isolation system employing metal springs in parallel with viscous fluid dampers was designed, fabricated, and space qualified. Stiffness and damping characteristics are deterministic, controlled independently, and were demonstrated to remain constant over at least five orders of input disturbance magnitude. The damping remained purely viscous even at the data collection threshold of .16 x .000001 in input displacement, a level much lower than the anticipated Hubble Space Telescope disturbance amplitude. Vibration attenuation goals were obtained and ground test of the vehicle has demonstrated the isolators are transparent to the attitude control system.

Davis, L. P.↗

Interval prediction in structural dynamic analysis

Methods for assessing the predictive accuracy of structural dynamic models are examined with attention given to the effects of modal mass, stiffness, and damping uncertainties. The methods are based on a nondeterministic analysis called 'interval prediction' in which interval variables are used to describe parameters and responses that are unknown. Statistical databases for generic modeling uncertainties are derived from experimental data and incorporated analytically to evaluate responses. Covariance matrices of modal mass, stiffness, and damping parameters are propagated numerically in models of large space structures by means of three methods. The test data tend to fall within the predicted intervals of uncertainty determined by the statistical databases. The present findings demonstrate the suitability of using data from previously analyzed and tested space structures for assessing the predictive accuracy of an analytical model.

Hasselman, Timothy K.↗

A moving morphable component‐based topology optimization approach considering transient structural dynamic responses

Abstract A novel approach is developed under the moving morphable component (MMC) framework to solve topology optimization problems considering transient structural dynamic responses, where the structure for optimization is constructed with a collection of structural components, and the structural layout can be described explicitly via only a small number of design variables characterizing the positions and geometries of the components. The transient dynamic response of the structure and corresponding sensitivities are computed via step‐by‐step numerical integration and mode reduction technique is also employed to enhance the computational efficiency. Compared with existing works, the numerical instabilities induced by localized vibration modes can be substantially alleviated and the computational effort for direct sensitivity analysis is significantly reduced in the proposed approach. Two and three‐dimensional numerical examples considering the cases of nonproportional damping mechanism and time‐varying mass are also provided to manifest the validity of the proposed approach.

Li, Jialin↗

The role of structural dynamics in the design and operations of space systems: The history, the lessons, the technical challenges of the future

Structural dynamics and its auxiliary fields are the most progressive and challenging areas space system engineering design and operations face. Aerospace systems are dependent on structural dynamicists for their success. Past experiences (history) are colored with many dynamic issues, some producing ground or flight test failures. The innovation and creativity that was brought to these issues and problems are the aura from the past that lights the path to the future. Using this illumination to guide understanding of the dynamic phenomena and designing for its potential occurrence are the keys to successful space systems. Our great paradox, or challenge, is how we remain in depth specialists, yet become generalists to the degree that we make good team members and set the right priorities. This paper will deal with how we performed with acclaim in the past, the basic characteristics of structural dynamics (loads cycle, for example), and the challenges of the future.

Ryan, Robert S.↗

Structural dynamics branch research and accomplishments for FY 1988

Fiscal year 1988 research highlights from the Structural Dynamics Branch at NASA Lewis Research Center are described. Highlights from the branch's major work areas -- aeroelasticity, vibration control, dynamic systems, and computational structural methods -- are included as well as a complete listing of the FY 88 branch publications.

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