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Science Opportunities and Capabilities Enabled by LCLS-II and LCLS-II HE

X-Ray Science with LCLS-II and LCLS-II HE: Chemical dynamics: Reaction dynamics, charge transfer, molecular photocatalysts, natural & artificial photosynthesis; Catalysis: Homogeneous and heterogeneous catalysis, interfacial & geo/environmental chemistry; Materials Physics: Heterogeneity, spontaneous fluctuations, nonequilibrium dynamics, extreme environments; Quantum Materials: Emergent phenomena & collective excitations; Biological Function & Structural Dynamics: Dynamics in physiological environments.

43 PARTICLE ACCELERATORS↗

SPS attitude control and stationkeeping: Requirements and tradeoffs

The dominant control requirements of solar power satellites change appreciably relative to small contemporary spacecraft. Trade studies and analyses illustrated preferred control approaches. It was found that the geosynchronous equatorial orbit is preferred over the alternative orbits considered, that the solar pressure orbit perturbation dominates stationkeeping propulsion requirements and that a combined AC and SK system using ion electric propulsion can satisfy the attitude control requirements. It was also found that control system/structural dynamic interaction stability can be obtained through frequency separation with reasonable structural dynamic requirements and simplify spacecraft design.

Oglevie, R. E.↗

Space Station momentum control and reboost requirements for two power generation concepts

Results are presented of dynamic structural analyses of 75 and 300 kW versions of a solar dynamic (SD) power supply for the Space Station (MSS). The SD is being seriously considered as an alternative to solar panels due to lower areal and mass requirements and higher efficiencies. The functioning principle is to use parabolic concentrators to focus sunlight on a heat engine to boil liquids to drive a turbine. Potential problems are foreseen in terms of the torques which would be experienced by the MSS and the subsequent orbital stability effects. The stability would be altered by changing aerodynmaic drag, altered moment of inertia and angular momentum and the altered center of mass location. The problem is exacerbated by the need to first equip the MSS with solar panels while the SD technology is developed. The analysis shows that the attitude control system will need to be redesigned and resized to accommodate MSS growth with either power system. The effects of the rotating parts of the SD system can be minimized, but further studies are required to determine the effects on the pointing accuracy of the SD, which must be 10 times as precise as that needed by a photovoltaic array.

Farmer, J. T.↗

Space Shuttle Redesigned Solid Rocket Motor nozzle natural frequency variations with burn time

The effects of erosion and thermal degradation on the Space Shuttle Redesigned Solid Rocket Motor (RSRM) nozzle's structural dynamic characteristics were analytically evaluated. Also considered was stiffening of the structure due to internal pressurization. A detailed NASTRAN finite element model of the nozzle was developed and used to evaluate the influence of these effects at several discrete times during motor burn. Methods were developed for treating erosion and thermal degradation, and a procedure was developed to account for internal pressure stiffening using differential stiffness matrix techniques. Results were verified using static firing test accelerometer data. Fast Fourier Transform and Maximum Entropy Method techniques were applied to the data to generate waterfall plots which track modal frequencies with burn time. Results indicate that the lower frequency nozzle 'vectoring' modes are only slightly affected by erosion, thermal effects and internal pressurization. The higher frequency shell modes of the nozzle are, however, significantly reduced.

Lui, C. Y.↗

Health Monitoring of Composite Material Structures Using a Vibrometry Technique

Non-destructive evaluation (NDE) methods for quantifying and locating damage are essential for inspecting structures to ensure safety and reliability. Transmittance function monitoring is a potentially new NDE technique being tested as a tool to detect, quantify, and locate damage on flexible structures. The technique has a large spatial range that is practical for detecting damage on large composite material structures such as a reusable launch vehicle. The Transmittance Function (TF) theory is based on structural dynamics principles that define how vibration at one point in a structure is related to a force at another point. This relationship is called the Frequency Response Function (FRF). A Transmittance Function (TF) is derived as the ratio of FRFs, and can detect damage because the FRFs change due to damage. If one excitation is used for the testing, the force does not need to be measured to compute the TF. In the damage detection procedure, the structure is subjected to wide-band vibration and TFs are computed between different accelerometers to detect changes in the structure, presumably due to damage. In the first year of the project the TF method was tested on a bolted panel, a curved panel, and beams, all made of fiberglass. It was shown that damage could be detected using low frequency vibration, 250 to 1,250 Hz. The technique is sensitive to damage, but it requires storage of historical or pre-damage TFs for the healthy structure. This would become a large data storage requirement for large structures. Thus one objective for the second year of the project was to eliminate the need to store historical data. The second year report gives details of how storage of historical data was eliminated. Further results of testing panel structures are also given.

Schulz, Mark J.↗

ExaWind: A multifidelity modeling and simulation environment for wind energy

We introduce the open-source ExaWind modeling and simulation environment for wind energy. The primary physics codes of ExaWind are Nalu-Wind and OpenFAST. Nalu-Wind is a wind-focused computational fluid dynamics (CFD) code that is coupled to the whole-turbine simulation code OpenFAST. The ExaWind environment was created under U.S. Department of Energy funding to achieve the highest-fidelity simulations of wind turbines and wind farms to date, with the goal of enabling disruptive changes to turbine and plant design and operation. Innovation will be gleaned through better understanding of the complex flow dynamics in wind farms, including wake evolution and the impact of wakes on downstream turbines and turbulent flow from complex terrain. High-fidelity predictive simulations employ hybrid turbulence models, geometry/boundary-layer-resolving CFD meshes, atmospheric turbulence, nonlinear structural dynamics, and fluid-structure interaction. While there is an emphasis on very high-fidelity simulations (e.g., blade resolved with full fluid-structure coupling), the ExaWind environment supports lower-fidelity modeling capabilities including actuator-line and -disk methods. Important in the development of ExaWind codes is that the codes scale well on today's largest petascale supercomputers and on the next-generation platforms that will enable exascale computing.

17 WIND ENERGY↗

Dynamic entity formed by protein and its hydration water

The interaction between protein and water plays a pivotal role in shaping the structure, dynamics, and function of biomacromolecules. A comprehensive understanding of this intricate interplay necessitates a systematic evaluation of interaction strength and its consequential impact on the dynamics of proteins and water across diverse protein systems. Despite numerous works on understanding the dynamics of water and proteins and the coupling between them, there are still unanswered questions. Here, we combine neutron scattering and isotope labeling to probe the dynamics of proteins and their hydration water in a variety of protein systems. We consider proteins of different structures and varying thermostability as well as proteins within living cells with distinct growth temperatures. Simultaneous characterization of protein and hydration water dynamics across diverse systems was achieved. Moreover, we performed water sorption isothermal measurements on three representative proteins to correlate the observed dynamics with the strength of the interaction energies governing each system. The experimental results underscore that proteins manifesting stronger attractive interactions with water display diffusionlike dynamics with higher flexibility upon hydration, concomitant with a reduced mobility in hydration water. Significantly, our findings suggest that, in fact, it is the interaction between protein and its hydration water that facilitates the transfer of mobility from water to protein, with stronger interactions correlating to greater protein flexibility and slower hydration water diffusion. Published by the American Physical Society 2024

Ye, Yongfeng (ORCID:0009000792374198)↗

kynema-fmb [SWR-23-07]

Kynema-FMB (FKA: Kynema) is an open-source performance portable flexible multibody (FMB) dynamics solver designed for time-domain simulations. While originally tailored for wind turbine structural dynamics, the formulation and implementation are those of a general flexible-multidbody dynamics solver that can readily be applied to a wide range of systems. Kynema was designed with a narrow focus, namely to provide a lightweight, fast, accurate FMD solver for coupling to computational-fluid-dynamics (CFD) codes, especially the CFD codes in the Kynema suite, for fluid-structure-interaction (FSI) simulations. Kynema-FMB is equipped to model systems that can be represented as a collection of beams and rigid bodies that are connected through constraints. Degrees of freedom are defined in the inertial/global frame of reference and include displacements and rotations (formally as rotation matrices, but stored as quaternions). The underlying formulation is built on a Lie-group time integrator designed for index-3 differential-algebraic equations, which is second-order accurate in time (Bruls et al., 2012). Beam models are based on geometrically exact beam theory and are discretized as high-order spectral finite elements similar to those in BeamDyn (Wang et al., 2017). The governing equations for a FMD system like a wind turbine constitute a highly nonlinear system of constrained partial-differential equations. Kynema-FMB uses analytical Jacobians in the nonlinear-system solves in each time step. Linear systems use sparse storage and several third-party sparse-linear-system solvers are enabled. Ill conditioning of linear systems is mitigated with preconditioning described in Bottasso et al, 2008. Kynema-FMB is integrated with a simple open-source controller (ROSCO). There is an application programming interface (API) for coupling to geometry-resolved CFD (like that in Sharma et al., 2023) and actuator-force CFD (like that in Kuhn et al., 2025). In the latter, for actuator-line models, Kynema-FMB includes an internal blade-element solver that depends on user-provided lookup tables for coefficients of lift and drag, i.e., aerodynamic polars. Kynema-FMB is written in C++ and leverages Kokkos and Kokkos-Kernels (KokkosEcosystem) as its performance portability layer enabling simulations on both CPU and GPU systems. The repository is equipped with extensive automated testing at the unit and regression/system levels. The following describes the high-level development objectives conceived for Kynema: *Kynema will follow modern software development best practices, including test-driven development (TDD), version control, hierarchical automated testing, and continuous integration (CI) for a robust development environment. *The core data structures are memory efficient and enable vectorization and parallelization at multiple levels. *Data structures are data-oriented to exploit methods for accelerated computing including high utilization of chip resources (e.g., single instruction multiple data (SIMD) instruction sets) and parallelization using GP-GPUs. *The computational algorithms incorporate robust open-source libraries for mathematical operations, resource allocation, and data management. *The API design considers multiple stakeholder needs and ensure integration with existing and future ecosystems for data science, machine learning, and AI. *Kynema-FMB is written in modern C++ and leverages Kokkos as its performance-portability library with inspiration from the kynema stack.

Sprague, MichaelA.↗

Development of a moderately sized finite element program for nonlinear structural analysis

AGGIE 1 is a computer program for predicting the linear and nonlinear, static and dynamic structural response of two- and three-dimensional continuum solids. The program is based on isoparametric finite elements and allows for 2-D plane stress, plane strain, and axisymmetric analyses and general 3-D analyses. Large strain kinematics is based on the total Lagrangian formulation. Materially nonlinear models include several elastic-plastic work-hardening models as well as an incompressible Mooney-Rivlin model. Included in this report is a brief description of the theoretical bases of the program, the material models used, the element library and the overall program organization. Instructions for data input preparation are given in detail. Several sample problems are given along with the required program input and program generated solutions.

Haisler, W. E.↗

Dynamic programming and direct interaction for the optimum design of skeletal towers

A computer technique is proposed for automatically designing tower structures. Dynamic programming was used to find the optimum geometric configuration of the structural members, while the member sizes were proportioned by direct iteration. Tower structures are particularly suited to this method of automatic design since the rapidity of the analysis and design depends primarily upon substructuring. Substructuring of towers was comparatively simple because interaction between adjacent substructures is simulated with reasonable accuracy. Typical examples are presented to illustrate the method.

Howell, G. C.↗

Dynamic Analysis of a Building Under Rocket Engine Plume Acoustic Load

Studies have been performed to develop finite-element modeling and simulation techniques to predict the dynamic structural response of Building 4010 to the acoustic load from the plume of high-thrust rocket motors. The building is the Test Control Center and general office space for the E-complex at Stennis Space Center. It is a large single span; light-structured building located approximately 1,000 feet from the E-1 test stand. A three-dimensional shell/beam combined model of the building was built using Pro/Engineer platform and imported into Pro/Mechanica for analysis. An Equivalent Shell technique was developed to simplify the highly complex building structure so that the calculation is more efficient and accurate. A deterministic approach was used for the dynamic analysis. A pre-stressed modal analysis was performed to simulate the weight stiffening of the structure, through which about 200 modes ranging from 0 to 35 Hz were identified. In an initial dynamic frequency analysis, the maximum response over the model was found. Then the complete 3-D distributions of the displacement, as well as the stresses, were calculated through a final frequency analysis. The results were compared to a strain gage and accelerometer recordings from rocket engine tests and showed reasonable agreement.

Qian, Z.↗

Overset Grid Methods for Multidisciplinary Applications in Rotorcraft Problems

A methodology for the coupling of an advanced computational fluid dynamics method based on an overset grid flow-solver and an advanced computational structural dynamics method based on a finite element analysis is presented. Various procedures for the fluid-structure interactions modeling along with their limitations are also discussed. The flight test data for the four-bladed UH-60A Blackhawk helicopter rotor is chosen for the validation of the results. Convergence and accuracy are tested by numerical experiments with a single-bladed rotor. A comparison of airload predictions with flight test data as well as with a rigid blade case is presented. Grid and interpolation related issues for this aeroelastic application are described.

Ahmad, J. U.↗

Shuttle Program Loads Integration: Going From Concept to Operations and Staying Successful

From the beginning of the Shuttle Program to its end, integrated loads and dynamics analyses and tests have been critical in shaping the vehicle design and operational decisions for NASA and its customers. Starting with scaled models and simple mathematical simulations of the structural dynamics, engineers defined the required structural stiffness and predicted the limit loads for each element of the system. Early structural tests provided reasonable confidence that the models and predictions were good. The first launch of the Space Shuttle brought surprises, though, when the ignition overpressure event caused a forward fuel tank support strut to buckle, among several unexpected effects. The launch pad and other ground equipment became an integral part of the system integration, especially where the acoustic and pressure environments of ignition and lift-off were concerned. Following the Challenger accident, operating limits were changed in response to new understandings of how the integrated system performed. Controlling loads while maximizing performance was a key tenet of the Performance Enhancement design process, which enabled construction of the International Space Station. During the return to flight after the Columbia accident, engineers grew to understand that loads during the roll maneuver were also important to the vehicle s structural margin and life. At this point the crawler transport from the Vehicle Assembly Building to the launch pad also became a part of the integrated loads analysis. Even in the last years of the Space Shuttle Program, new data still provided interesting insights into this complicated and fascinating spaceship. This paper will present some examples of the important findings by the team of specialists that supported the Integrated Loads and Dynamics Panel for the Space Shuttle Program.

Bernstein, Karen↗

Speckle correlation as a monitor of X-ray free-electron laser induced crystal lattice deformation

X-ray free-electron lasers (X-FELs) present new opportunities to study ultrafast lattice dynamics in complex materials. While the unprecedented source brilliance enables high fidelity measurement of structural dynamics, it also raises experimental challenges related to the understanding and control of beam-induced irreversible structural changes in samples that can ultimately impact the interpretation of experimental results. This is also important for designing reliable high performance X-ray optical components. In this work, X-FEL beam-induced lattice alterations are investigated by measuring the shot-to-shot evolution of near-Bragg coherent scattering from a single crystalline germanium sample. It is shown that X-ray photon correlation analysis of sequential speckle patterns measurements can be used to monitor the nature and extent of lattice rearrangements. Additionally, abrupt, irreversible changes are observed following intermittent high-fluence monochromatic X-ray pulses, thus revealing the existence of a threshold response to X-FEL pulse intensity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Stirling Technology Development at NASA GRC

The Department of Energy, Stirling Technology Company (STC), and NASA Glenn Research Center (NASA Glenn) are developing a free-piston Stirling convertor for a high-efficiency Stirling Radioisotope Generator (SRG) for NASA Space Science missions. The SRG is being developed for multimission use, including providing electric power for unmanned Mars rovers and deep space missions. NASA Glenn is conducting an in-house technology project to assist in developing the convertor for space qualification and mission implementation. Recent testing, of 55-We Technology Demonstration Convertors (TDC's) built by STC includes mapping, of a second pair of TDC's, single TDC testing, and TDC electromagnetic interference and electromagnetic compatibility characterization on a nonmagnetic test stand. Launch environment tests of a single TDC without its pressure vessel to better understand the convertor internal structural dynamics and of dual-opposed TDC's with several engineering mounting structures with different natural frequencies have recently been completed. A preliminary life assessment has been completed for the TDC heater head, and creep testing of the IN718 material to be used for the flight convertors is underway. Long-term magnet aging tests are continuing to characterize any potential aging in the strength or demagnetization resistance of the magnets used in the linear alternator (LA). Evaluations are now beginning on key organic materials used in the LA and piston/rod surface coatings. NASA Glenn is also conducting finite element analyses for the LA, in part to look at the demagnetization margin on the permanent magnets. The world's first known integrated test of a dynamic power system with electric propulsion was achieved at NASA Glenn when a Hall-effect thruster was successfully operated with a free-piston Stirling power source. Cleveland State University is developing a multidimensional Stirling computational fluid dynamics code to significantly improve Stirling loss predictions and assist in identifying convertor areas for further improvements. This paper will update the status and results for these efforts.

Thieme, Lanny G.↗

High fidelity blade-resolved and actuator line data from a 16 turbine wind farm simulation using ExaWind

This data was generated with the ExaWind code suite (https://github.com/Exawind) as a demonstration of a large, 16 turbine wind farm simulation, calculated using two different levels of fidelity. The lower level of fidelity approach uses an actuator line approach to represent the turbines, and was simulated with AMR-Wind (https://github.com/Exawind/amr-wind/) as the background flow solver, coupled to OpenFAST (https://github.com/OpenFAST/openfast). The higher level of fidelity simulation uses a blade-resolved approach, and is done using AMR-Wind, Nalu-Wind (https://github.com/Exawind/nalu-wind), OpenFAST, and TIOGA (https://github.com/Exawind/tioga). In the blade-resolved simulation, ExaWind couples together a background flow solver, AMR-Wind, and a near-body solver, Nalu-Wind, through an overset technique from the TIOGA application. OpenFAST handles the structural dynamics of the turbine blades and towers, which informs the fluid-structure interaction of the wind turbines with the flow solvers. In the actuator line simulation, a mesh of 295M elements was used for a 5km x 5km domain, and it was simulated using 256 nodes (2048 GPU's) on the Oak Ridge Leadership Computing Facility Frontier supercomputer. For the blade-resolved simulation, 1.5B element mesh was used in the AMR-Wind background 5km x 5km domain, and 16M elements were used for each turbine in the Nalu-Wind domains, for a total of 1.7B elements. This was simulated using 384 nodes on Frontier, with each node using 56 cores for Nalu-Wind and 8 GPU cores. The data in this archive includes the turbine outputs from OpenFAST, 2D sampling planes from AMR-Wind, and full-field solution files from AMR-Wind and Nalu-Wind.

17 WIND ENERGY↗

High temporal frequency data from a four turbine, blade-resolved wind farm simulation with ExaWind

The data was generated with ExaWind (https://github.com/Exawind) which couples AMR-Wind (https://github.com/Exawind/amr-wind/), Nalu-Wind (https://github.com/Exawind/nalu-wind), TIOGA (https://github.com/Exawind/tioga), and OpenFAST (https://github.com/OpenFAST/openfast). This is a large-scale simulation of a blade-resolved wind farm using the ExaWind software stack. ExaWind couples together a background flow solver, AMR-Wind, and a near-body solver, Nalu-Wind, through an overset technique from the TIOGA application. Another application, OpenFAST, handles the structural dynamics of the turbine blades and towers, which informs the fluid-structure interaction of the wind turbines with the flow solvers. This particular simulation includes four blade-resolved wind turbines operating in a turbulent atmospheric boundary layer. The AMR-Wind solver uses 500 million cells and is being solved on 256 AMD GPUs of the Oakridge Leadership Computing Facility Frontier supercomputer. Each turbine is assigned its own Nalu-Wind solver with over 13 million elements per turbine and solved using 448 CPU cores, for a total of 1792 CPU cores. For each node, 56 cores contain Nalu-Wind, while 8 cores correspond to AMR-Wind operations on the GPUs. Consequently, ExaWind is entirely utilizing the CPUs and the GPUs of the nodes concurrently. The data used in the visualization is full flow field data output from the simulation. It is lossy-compressed to a specific accuracy using ZFP and written to disk every 16 time-steps to enable real-time flow visualization. The flow fields are sampled at a high temporal frequency to enable real-time, 24fps visualization. The flow fields are sampled every 12 simulation time steps (every 0.04132s).

17 WIND ENERGY↗