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At least 505 records · Page 28

Real Space and Time Imaging of Collective Headgroup Dipole Motions in Zwitterionic Lipid Bilayers

Lipid bilayers are supramolecular structures responsible for a range of processes, such as transmembrane transport of ions and solutes, and sorting and replication of genetic materials, to name just a few. Some of these processes are transient and currently, cannot be visualized in real space and time. Here, we developed an approach using 1D, 2D, and 3D Van Hove correlation functions to image collective headgroup dipole motions in zwitterionic phospholipid bilayers. We show that both 2D and 3D spatiotemporal images of headgroup dipoles are consistent with commonly understood dynamic features of fluids. However, analysis of the 1D Van Hove function reveals lateral transient and re-emergent collective dynamics of the headgroup dipoles—occurring at picosecond time scales—that transmit and dissipate heat at longer times, due to relaxation processes. At the same time, the headgroup dipoles also generate membrane surface undulations due a collective tilting of the headgroup dipoles. A continuous intensity band of headgroup dipole spatiotemporal correlations—at nanometer length and nanosecond time scales—indicates that dipoles undergo stretching and squeezing elastic deformations. Importantly, the above mentioned intrinsic headgroup dipole motions can be externally stimulated at GHz-frequency scale, enhancing their flexoelectric and piezoelectric capabilities (i.e., increased conversion efficiency of mechanical energy into electric energy). In conclusion, we discuss how lipid membranes can provide molecular-level insights about biological learning and memory, and as platforms for the development of the next generation of neuromorphic computers.

59 BASIC BIOLOGICAL SCIENCES↗

A System for Measuring the Sway of the Vehicle Assembly Building

A system was developed to measure the sway of the Vehicle Assembly Building (VAB) at Kennedy Space Center. This system was installed in the VAB and gathered more than one total year of data. The building movement was correlated with measurements provided by three wind towers in order to determine the maximum deflection of the building during high-wind events. The VAB owners were in the process of obtaining new platforms for use in assembling very tall rockets when analysis of the VAB showed that a high wind could move the building sufficiently that an upper platform might impact a rocket. The problem arises because safety requires a relatively small gap between the platform and the rocket, while a large enough gap is needed to ensure that stacking tolerances prevent contact between the rocket and the platform. This only leaves an inch or two (approximately 2 to 5 cm) of total clearance, so when the analysis showed that more than a couple of inches of motion could occur in a high wind, there was a potential for damaging the rocket. The KSC Applied Physics Laboratory was asked to install a system in the VAB that could measure the motion of the building in high winds to determine the actual building sway. The motion of the VAB roof under wind load was measured optically, and under analysis, it was determined that a relatively large-aperture optical system would be required to reduce diffraction effects to less than a small fraction of an inch (approximately mm) at a distance of 500 ft (≈150 m). A 10-in. (approximately 250 mm) telescope was placed on the floor of the building, looking at the ceiling. On the ceiling, a flat plate with three white LEDs was mounted in an "L" shape, such that the telescope was essentially looking at three stars. Software was written to track the motion of these three points using an image processing system. This provided a better than 1/10-in. (approximately 2.5-mm) 2D measurement faster than once a second. Data was downloaded once a month for comparison with the wind tower data. The system was fully operational and provided enough data to show that the VAB will only move 1 in. (approximately 2.5 cm) at the ceiling under 70-knot winds. Adjustable platforms are not required.

Youngquist, Robert↗

Evaluation of importance of lateral acceleration derivatives in extraction of lateral-directional derivatives at high angles of attack

A theoretical investigation was conducted to determine the importance of the lateral acceleration (beta) derivatives in the extraction of lateral-directional stability derivatives for swept wing airplanes at high angles of attack. Representative values of lateral acceleration derivatives in yaw and roll (Cn beta and Cl beta) were used in a computer program to generate representative flight motions at several angles of attack and altitudes. The computer-generated motions were then subjected to a parameter identification process based on a modified Newton-Raphson method. Two identification techniques were evaluated, one which included the beta derivatives and one which neglected them. The results of the study indicate that omission of the beta derivatives from mathematical models used in the derivative-extraction techniques can produce erroneous values for the lateral-directional stability derivatives particularly at high angles of attack, where the beta derivatives are large. The largest errors occur in the dynamic derivatives, but large errors may also occur in the static derivatives for cases in which the beta derivatives have large effects on the flight motions of the airplane. In addition, the resulting identified mathematical models provide poor motion prediction as well as erroneous predictions of dynamic modal characteristics. These results strongly indicate that the effects of beta derivatives should be considered in any attempt to extract lateral-directional aerodynamic parameters at high angles of attack.

Nguyen, L. T.↗

Numerical simulations of the decay of Martian global dust storms

The decay of Martian global (great) dust storms is investigated. One-dimensional (vertical, static atmosphere) and two-dimensional (latitude-height, steady state circulation) simulations carried out with an aerosol transport-microphysical model indicate that atmospheric motions play a significant role in the observed decay of global dust storms. Spacecraft observations (Mariner 9, Viking) of the 1971 and the two 1977 planet-encircling dust storms have provided suggestions about some characteristics of storm decay. Specifically, the dust particle size distribution is inferred to have remained essentially unchanged for particles with radii between 1 and 10 microns during decay of the 1971 storm, and surface visible opacity declined quasi-exponentially with time in northern midlatitudes during the decay of the two 1977 storms. The results from this investigation indicate that two- and three-dimensional dynamical processes play a significant role the observed decay features of Martian global dust storms. The most important processes are the lofting of dust by vertical motions in the dust source region of the Southern Hemisphere subtropics and a continuing advective resupply of atmospheric dust into the dust sink regions of the Northern Hemisphere. This work has implications for Viking data analyses and future Mars observer observations and requires that the particle size distribution be treated as a time and latitude dependent quantity.

Murphy, James R.↗

Three-Dimensional High-Resolution Optical/X-Ray Stereoscopic Tracking Velocimetry

Measurement of three-dimensional (3-D) three-component velocity fields is of great importance in a variety of research and industrial applications for understanding materials processing, fluid physics, and strain/displacement measurements. The 3-D experiments in these fields most likely inhibit the use of conventional techniques, which are based only on planar and optically-transparent-field observation. Here, we briefly review the current status of 3-D diagnostics for motion/velocity detection, for both optical and x-ray systems. As an initial step for providing 3-D capabilities, we nave developed stereoscopic tracking velocimetry (STV) to measure 3-D flow/deformation through optical observation. The STV is advantageous in system simplicity, for continually observing 3- D phenomena in near real-time. In an effort to enhance the data processing through automation and to avoid the confusion in tracking numerous markers or particles, artificial neural networks are employed to incorporate human intelligence. Our initial optical investigations have proven the STV to be a very viable candidate for reliably measuring 3-D flow motions. With previous activities are focused on improving the processing efficiency, overall accuracy, and automation based on the optical system, the current efforts is directed to the concurrent expansion to the x-ray system for broader experimental applications.

Cha, Soyoung S.↗

Droplet Combustion and Soot Formation in Microgravity

One of the most complex processes involved in the combustion ot liquid fuels is the formation of soot. A well characterized flow field and simplified flame structure can improve considerably the understanding of soot formation processes. The simplest flame shape to analyze for a droplet is spherical with its associated one-dimensional flow field. It is a fundamental limit and the oldest and most often analyzed configuration of droplet combustion. Spherical symmetry in the droplet burning process will arise when there is no relative motion between the droplet and ambience or uneven heating around the droplet periphery, and buoyancy effects are negligible. The flame and droplet are then concentric with each other and there is no liquid circulation within the droplet. An understanding of the effect of soot on droplet combustion should therefore benefit from this simplified configuration. Soot formed during spherically symmetric droplet combustion, however, has only recently drawn attention and it appears to be one of the few aspects associated with droplet combustion which have not yet been thoroughly investigated. For this review, the broad subject of droplet combustion is narrowed considerably by restricting attention specifically to soot combined with spherically symmetric droplet burning processes that are promoted.

Avedisian, C. Thomas↗

Quantitative probing of the fast particle motion during the solidification of battery electrodes

Synchrotron x-ray tomography represents one of the most powerful imaging techniques that can visualize the three-dimensional microstructural complexity with a high spatial resolution. To date, however, the temporal resolution of this technique has been handicapped by the intrinsic limitations in the data acquisition speed and the lack of a suitable data processing method. The present study aims to fundamentally resolve this challenge by implementing a data analysis method that is based on differentiating discrete tomography reconstruction from a continuous scan reconstruction. With this methodological development, we capture and quantify the particle motion during the solidification of battery electrodes and reveal the statistics of the dynamically evolving motion in the drying process, which has been challenging to resolve. We discover that the particle motion exhibits a strong dependence on its geometric location within a drying electrode. Our results also imply that the final electrode quality can be controlled by balancing the solvent evaporation rate and the particle mobility in the region close to the drying surface.

25 ENERGY STORAGE↗

Femtosecond stimulated Raman spectro-microscopy for probing chemical reaction dynamics in solid-state materials

Femtosecond stimulated Raman spectroscopy (FSRS) is a chemically specific vibrational technique that has the ability to follow structural dynamics during photoinduced processes such as charge transfer on the ultrafast timescale. FSRS has a strong background in following structural dynamics and elucidating chemical mechanisms; however, its use with solid-state materials has been limited. As photovoltaic and electronic devices rely on solid-state materials, having the ability to track the evolving dynamics during their charge transfer and transport processes is crucial. Following the structural dynamics in these solid-state materials will lead to the identification of specific chemical structures responsible for various photoinduced charge transfer reactions, leading to a greater understanding of the structure–function relationships needed to improve upon current technologies. Furthermore, isolating the specific nuclear motions and molecular structures that drive a desired physical process will provide a chemical blueprint, leading to the rational design and fabrication of efficient electronic and photovoltaic devices. In this perspective, we discuss technical challenges and experimental developments that have facilitated the use of FSRS with solid-state samples, explore previous studies that have identified structure–function relationships in charge transfer reactions, and analyze the future developments that will broaden and advance the field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Software Tools for Developing and Simulating the NASA LaRC CMF Motion Base

The NASA Langley Research Center (LaRC) Cockpit Motion Facility (CMF) motion base has provided many design and analysis challenges. In the process of addressing these challenges, a comprehensive suite of software tools was developed. The software tools development began with a detailed MATLAB/Simulink model of the motion base which was used primarily for safety loads prediction, design of the closed loop compensator and development of the motion base safety systems1. A Simulink model of the digital control law, from which a portion of the embedded code is directly generated, was later added to this model to form a closed loop system model. Concurrently, software that runs on a PC was created to display and record motion base parameters. It includes a user interface for controlling time history displays, strip chart displays, data storage, and initializing of function generators used during motion base testing. Finally, a software tool was developed for kinematic analysis and prediction of mechanical clearances for the motion system. These tools work together in an integrated package to support normal operations of the motion base, simulate the end to end operation of the motion base system providing facilities for software-in-the-loop testing, mechanical geometry and sensor data visualizations, and function generator setup and evaluation.

Bryant, Richard B., Jr.↗

Pilot/vehicle model analysis of visual and motion cue requirements in flight simulation

The optimal control model for pilot/vehicle analysis is used to explore the effects of a CGI visual system and motion system dynamics on helicopter hover simulation fidelity. This is accomplished by expanding the perceptual aspects of the model to include motion sensing and by relating CGI parameters to information processing parameters of the model. Simulator fidelity is examined by comparing predicted performance and workload for flight with that predicted for various simulator configuration. The results of the analysis suggest that simulator deficiencies or a reasonable nature (by current standards) can result in substantial performance and/or workload infidelity. Both CGI and motion system effects are significant for this task. There is also a distinct interaction between the two sources of pilot cues. In particular, the presence of motion reduces the sensitivity to CGI limitations.

Lancraft, R.↗

Synoptic Mapping of Chemical Composition, Thermal Structure, and Air Motion from UARS Observations

An operational mapping algorithm was developed to process measurements of individual species observed by different satellite instruments on board UARS. Based on Fast Fourier Synoptic Mapping (FFSM), the algorithm accounts for the precessing orbit of UARS, the error of individual instruments, and gaps associated with instrument duty cycle and the satellite yaw maneuver. It provides synoptic structure and evolution on periods as short as 1 day, derived collectively from all observations of an individual species. The algorithm was applied to synoptically map temperature, thickness, and several chemical constituents observed by the instruments: MLS, CLAES, ISAMS, and HALOE. Each field variable observed by these instruments was mapped twice-daily in continuous global time series several months long. Mapped behavior produced via FFSM was compared against standard archived products generated via Kalman filtering. The standard map products reveal similar behavior, but are limited to features of larger scale. Tracer structure that develops through flow deformation and attending transport is therefore represented in those products more coarsely, eventually being sheared down to scales that are no longer represented properly. The synoptic time series also reveal a diurnal cycle for several of the constituents, one that emerges clearly in their space-time spectra. The zonal and meridional structure of diurnal variability was mapped by filtering the space-time spectrum, an intermediate product of FFSM, to those scales resolved by the UARS sampling. Geographical variations of the diurnal cycle have also been evaluated in its seasonal-mean structure by compositing distributions at individual local times. Both were compared to diurnal variations in chemical models and in dynamical models that account for transport by the diurnal tide. Diurnal variations were found to introduce spurious behavior into the archived products generated via Kalman filtering, behavior that is misrepresented in those synoptic time series. Aliasing by under-sampled diurnal variations introduces a bias into the time-mean structure of archived products. That systematic error is manifested as anomalous wave structure in the time-mean fields. By contrast, synoptic time series generated via FFSM faithfully represent such behavior as varying diurnally, so it does not corrupt time-mean structure. Tracer structure mapped via the above algorithm was being applied to determine the Brewer-Dobson circulation of the stratosphere through Lagrangian considerations. Preliminary results are encouraging: They reveal diabatic ascent in the tropics, balanced by diabatic descent over the winter hemisphere. This Lagrangian description of transport derived from UARS tracer measurements would be potentially valuable for diagnosing interannual changes of transport, specifically, in relation to interannual changes of total ozone. Regrettably, support was reduced to 50% of the approved funding level, leaving this component incomplete.

Salby, Murry L.↗

INR-TEM: Robust cavity detection in multifocus TEM images via implicit neural representations

When characterizing materials using transmission electron microscopy (TEM) images, detecting and quantifying small features in microstructures, such as cavities, pose significant challenges. Off-the-shelf object detection models, including YOLOv8, show considerable performance degradation, particularly when images vary in resolution and the objects of interest possess a low percentage of the total image region of interest. In this study, we introduce a novel detection pipeline that incorporates an implicit neural representation (INR)-based detection method, INR-TEM, and two-modality imaging (e.g., under-focused and over-focused images typically acquired during materials characterization) to improve object detection performance. The INR-TEM method incorporates a pixel-wise prediction principle inspired by pixel-wise centerness weighting. INR-TEM demonstrates superior robustness to resolution variability, maintaining high detection accuracy even at low image resolutions compared to YOLOv8. To leverage INR-TEM effectively in real-world two-modality characterization applications, we further integrate a two-stage motion correction pipeline designed explicitly for aligning multifocus TEM images. The alignment process, comprising keypoint (based on scale-invariant feature transform, SIFT) and intensity matching, significantly mitigates the adverse effects of perceived motion-induced image degradation during through-focal TEM imaging, directly enhancing INR-TEM’s detection capability over conventional single-focus images. Our integrated INR-TEM cavity detection framework notably improves performance across various cavity sizes, outperforming off-the-shelf YOLOv8 detections that rely on a single image modality.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Mass Transport in Global Geophysical Fluids

Mass transports occurring in the atmosphere-hydrosphere-solid Earth-core system (the "global geophysical fluids") are important geophysical phenomena. They occur on all temporal and spatial scales. Examples include air mass and ocean circulations, tides, hydrological water redistribution, mantle processes such as post-glacial rebound, earthquakes and tectonic motions, and core geodynamo activities. With only a few exceptions on the Earth surface, the temporal history and spatial pattern of such mass transport are often not amenable to direct observations. Space geodesy techniques, however, have the capability of monitoring certain direct consequences of the mass transport, including Earth's rotation variations, gravitational field variations, and the geocenter motion. These techniques include the very-long-baseline interferometry, satellite laser ranging and Doppler tracking, and the Global Positioning System, all entail global observational networks. While considerable advances have been made in observing and understanding of the dynamics of Earth's rotation, only the lowest-degree gravitational variations have been observed and limited knowledge of geocenter motion obtained. New space missions, projects and initiatives promise to further improve the measurements and hence our knowledge about the global mass transports. The latter contributes to our understanding and modeling capability of the geophysical processes that produce and regulate the mass transports, as well as the solid Earth's response to such changes in constraining the modeling of Earth's mechanical properties.

Chao, B. F.↗

A Doppler centroid estimation algorithm for SAR systems optimized for the quasi-homogeneous source

Radar signal processing applications frequently require an estimate of the Doppler centroid of a received signal. The Doppler centroid estimate is required for synthetic aperture radar (SAR) processing. It is also required for some applications involving target motion estimation and antenna pointing direction estimation. In some cases, the Doppler centroid can be accurately estimated based on available information regarding the terrain topography, the relative motion between the sensor and the terrain, and the antenna pointing direction. Often, the accuracy of the Doppler centroid estimate can be improved by analyzing the characteristics of the received SAR signal. This kind of signal processing is also referred to as clutterlock processing. A Doppler centroid estimation (DCE) algorithm is described which contains a linear estimator optimized for the type of terrain surface that can be modeled by a quasi-homogeneous source (QHS). Information on the following topics is presented: (1) an introduction to the theory of Doppler centroid estimation; (2) analysis of the performance characteristics of previously reported DCE algorithms; (3) comparison of these analysis results with experimental results; (4) a description and performance analysis of a Doppler centroid estimator which is optimized for a QHS; and (5) comparison of the performance of the optimal QHS Doppler centroid estimator with that of previously reported methods.

Jin, Michael Y.↗

Ultrafast branching in intersystem crossing dynamics revealed by coherent vibrational wavepacket motions in a bimetallic Pt($\mathrm{II}$) complex

Ultrafast excited-state processes of transition metal complexes (TMCs) are governed by complicated interplays between electronic and nuclear dynamics, which demand a detailed understanding to achieve optimal functionalities of photoactive TMC-based materials for many applications. Here, in this work, we investigated a cyclometalated platinum(II) dimer known to undergo a Pt-Pt bond contraction in metal-metal-to-ligand-charge-transfer (MMLCT) excited state using femtosecond broadband transient absorption (fs-BBTA) spectroscopy in combination with geometry optimization and normal mode calculations. Using sub-20 fs pump and broadband probe pulses in fs-BBTA spectroscopy, we are able to correlate coherent vibrational wavepacket (CVWP) evolution with stimulated emission (SE) dynamics of the 1 MMLCT state. The results demonstrated that the 145 cm -1 CVWP motions with the damping times of ~ 0.9 ps and ~ 2 ps originate from coherent Pt-Pt stretching vibrations in the singlet and triplet MMLCT states, respectively. On the basis of excited-state potential energy surface calculations in our previous work, we rationalized that the CVWP transfer from Franck-Condon (FC) state to the 3 MMLCT state was mediated by a triplet ligand-centered ( 3 LC) intermediate state through two step intersystem crossing (ISC) on a time scale shorter than a period of the Pt-Pt stretching wavepacket motions. Moreover, it was found that the CVWP motion with 110 cm-1 frequency decays with the damping time of ~ 0.2 ps, well matching the time constant of 0.253 ps corresponding to a redshift in the SE feature at early time. This observation indicates that the Pt-Pt bond contraction changes the stretching frequency from 110 to 145 cm -1 and stabilize the 1 MMLCT state relative to the 3 LC state with the ~ 0.2 ps time scale. Thus, the ultrafast ISC from the 1 MMLCT to the 3 LC states occurs before the Pt-Pt bond shortening. The findings herein provide insight into understanding the impact of Pt-Pt bond contraction on ultrafast branching of the 1 MMLCT population into the direct ( 1 MMLCT → 3 MMLCT) and indirect ISC pathways ( 1 MMLCT → 3 LC → 3 MMLCT) in the Pt(II) dimer. These results revealed intricate excited state electronic and nuclear motions that could steer the reaction pathways with levels of details that have not achieved before

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A new algorithm for modeling friction in dynamic mechanical systems

A method of modeling friction forces that impede the motion of parts of dynamic mechanical systems is described. Conventional methods in which the friction effect is assumed a constant force, or torque, in a direction opposite to the relative motion, are applicable only to those cases where applied forces are large in comparison to the friction, and where there is little interest in system behavior close to the times of transitions through zero velocity. An algorithm is described that provides accurate determination of friction forces over a wide range of applied force and velocity conditions. The method avoids the simulation errors resulting from a finite integration interval used in connection with a conventional friction model, as is the case in many digital computer-based simulations. The algorithm incorporates a predictive calculation based on initial conditions of motion, externally applied forces, inertia, and integration step size. The predictive calculation in connection with an external integration process provides an accurate determination of both static and Coulomb friction forces and resulting motions in dynamic simulations. Accuracy of the results is improved over that obtained with conventional methods and a relatively large integration step size is permitted. A function block for incorporation in a specific simulation program is described. The general form of the algorithm facilitates implementation with various programming languages such as FORTRAN or C, as well as with other simulation programs.

Hill, R. E.↗

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering

Proton-transfer processes build the foundation of many chemical processes. In Excited State Intramolecular Proton Transfer (ESIPT) processes the proton transfer process is impulsively started through light. Here, in this study, we explore the changes in coupled atomic and electronic motions during and following ESIPT through computational time-resolved Resonant Inelastic X-ray Scattering (trRIXS). Excited-state Ab Initio Molecular Dynamics (AIMD) simulations combined with Time-Dependent Density Functional Theory (TDDFT) calculations were performed for 10-hydroxybenzo[h]quinoline to obtain trRIXS signatures. RIXS at both the nitrogen and oxygen K-edges were computed to resolve the dynamics electronic structure from both the proton donor and acceptor perspective. The results show how RIXS can reveal the local electronic structure, the coupling between different electronic states and how electronic structure and coupling change during the proton transfer process. Additionally, we observe a strong correlation between spectral changes and structural changes during ESIPT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗