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At least 1,135 records · Page 63

SU-F-T-648: Sharpening Dose Fall-Off Via Beam Number Enhancements For Stereotactic Brain Radiosurgery

Purpose: Sharp dose fall-off is the hallmark of brain radiosurgery to deliver a high dose of radiation to the target while minimizing dose to normal brain tissue. In this study, we developed a technique for the purpose of enhancing the peripheral dose gradient by magnifying the total number of beams focused toward each isocenter via patient head tilt and simultaneous beam intensity modulations. Methods: Computer scripting for the proposed beam number enhancement (BNE) technique was developed. The technique was tested and then implemented on a clinical treatment planning system for a dedicated brain radiosurgical system (GK Perfexion, Elekta Oncology). To study technical feasibility and dosimetric advantages of the technique, we compared treatment planning quality and delivery efficiency for 20 radiosurgical cases previously treated at our institution. These cases included relatively complex treatments such as acoustic schwannoma, meningioma, brain metastasis and mesial temporal lobe epilepsy. Results: The BNE treatment plans were found to produce nearly identical target volume coverage (absolute value < 0.5%, P > 0.2) and dose conformity (BNE CI= 1.41±0.15 versus 1.41±0.20, P>0.9) as the original treatment plans. The total beam-on time for theBNE treatment plans were comparable (within 1.0 min or 1.8%) with those of the original treatment plans for all the cases. However, BNE treatment plans significantly improved the mean gradient index (BNE GI = 2.9±0.3 versus original GI =3.0±0.3 p<0.0001) and low-level isodose volumes, e.g. 20-50% prescribed isodose volumes, by 2.0% to 5.0% (p<0.02). Furthermore, with 4 to 5-fold increase in the total number of beams, the GI decreased by as much as 20% or 0.5 in absolute values. Conclusion: BNE via head tilt and simultaneous beam intensity modulation is an effective and efficient technique that physically sharpens the peripheral dose gradient for brain radiosurgery.

60 APPLIED LIFE SCIENCES↗

An Inside Look at Sunspot Oscillations with Higher Azimuthal Wavenumbers

Solar chromospheric observations of sunspot umbrae offer an exceptional view of magnetohydrodynamic wave phenomena. In recent years, a wealth of wave signatures related to propagating magneto-acoustic modes have been presented, which demonstrate complex spatial and temporal structuring of the wave components. Theoretical modeling has demonstrated how these ubiquitous waves are consistent with an m = 0 slow magneto-acoustic mode, which is excited by trapped sub-photospheric acoustic (p-mode) waves. However, the spectrum of umbral waves is broad, suggesting that the observed signatures represent the superposition of numerous frequencies and/or modes. We apply Fourier filtering, in both spatial and temporal domains, to extract chromospheric umbral wave characteristics consistent with an m = 1 slow magneto-acoustic mode. This identification has not been described before. Angular frequencies of 0.037±0.007 rad s{sup −1} (2.1±0.4 deg s{sup −1}, corresponding to a period ≈170 s) for the m = 1 mode are uncovered for spatial wavenumbers in the range of 0.45<k<0.90 arcsec{sup −1} (5000−9000 km). Theoretical dispersion relations are solved, with corresponding eigenfunctions computed, which allows the density perturbations to be investigated and compared with our observations. Such magnetohydrodynamic modeling confirms our interpretation that the identified wave signatures are the first direct observations of an m = 1 slow magneto-acoustic mode in the chromospheric umbra of a sunspot.

79 ASTRONOMY AND ASTROPHYSICS↗

Interlaboratory Study of Digital Volume Correlation Error Due to X-Ray Computed Tomography Equipment and Scan Parameters: an Update from the DVC Challenge

Background: The quality of Digital Volume Correlation (DVC) full-field displacement measurements depends directly on the characteristics of the X-ray Computed Tomography (XCT) equipment, and scan procedures used to acquire the tomographic images. Objective: In this work, we seek to experimentally study the effects of XCT equipment and tomographic scan procedures on the quality of these images for DVC analysis, and to survey the level of DVC error that may be achieved using standard XCT operating procedures. Methods: Six participants in an interlaboratory study acquired high-quality XCT scans of a syntactic foam before and after rigid body motion. The resulting images were correlated using commercial DVC software to quantify error sources due to random image noise, reconstruction artifacts, as well as systematic spatial or temporal distortion. Results: In the absence of rigid body motion, the standard deviation of the displacement measurements ranged from 0.012 to 0.043 voxels using a moderate subvolume size, indicating that subvoxel measurement resolution could readily be achieved with a variety of XCT equipment and scan recipes. Comparison of consecutive scans without rigid body motion showed transient dilatational displacement gradients due to self-heating of the X-ray source and/or thermal expansion of the foam. Evaluation of the scans after rigid body motion showed significant, machine-specific spatial distortion in the displacement fields of up to 0.5 voxels; new approaches to remove this error need to be developed. Conclusions: Analysis of the scan protocols used in the interlaboratory study, as well as a complementary parametric sensitivity study, showed that the DVC error was strongly influenced by the XCT equipment, but could be mitigated by adjusting the total scan duration.

47 OTHER INSTRUMENTATION↗

Grain size estimation in fluvial gravel bars using uncrewed aerial vehicles: A comparison between methods based on imagery and topography

Abstract Grain size assessments are necessary for understanding the various geomorphological, hydrological and ecological processes that occur within rivers. Recent research has shown that the application of Structure‐from‐Motion (SfM) photogrammetry to imagery from uncrewed aerial vehicles (UAVs) shows promise for rapidly characterising grain sizes along rivers in comparison to traditional field‐based methods. Here, we evaluated the applicability of different methods for estimating grain sizes in gravel bars along a study reach in the Olentangy River in Columbus, Ohio. We collected imagery of these gravel bars with a UAV and processed those images with SfM photogrammetry software to produce three‐dimensional point clouds and orthomosaics. Our evaluation compared statistical models calibrated on topographic roughness, which was computed from the point clouds, and to those based on image texture, which was computed from the orthomosaics. Our results showed that statistical models calibrated on image texture were more accurate than those based on topographic roughness. This might be because of site‐specific patterns of grain size, shape and imbrication. Such patterns would have complicated the detection of topographic signatures associated with individual grains. Our work illustrates that UAV‐SfM approaches show potential to be used as an accessible method for characterising surface grain sizes along rivers at higher spatial and temporal resolutions than those provided by traditional methods.

Wong, Tyler↗

A quantitative and holistic circular economy assessment framework at the micro level

Circular Economy (CE) aims to solve resource, waste, and emission challenges by creating a production-to-consumption supply chain that is restorative and environmentally benign. A variety of metrics has been developed with the focus mainly on the macro and meso levels. This work introduces a micro level CE assessment framework that provides i) a set of indicators and metrics with sector-specific dimensions, ii) quantitative and holistic CE overall and category-based metrics, iii) media for data visualization and analysis of CE indicators, and iv) an analytical tool to assess multi-national businesses and the multi-scale and interconnected CE supply chains. Using this quantitative tool, companies are able to track their transition towards CE, conduct temporal analysis, and benchmark their performance against their peers and industry’s standards. The applicability and the capabilities of the developed CE assessment framework is demonstrated through three case studies, with the results demonstrating a clear trend towards circularity.

42 ENGINEERING↗

Local Lagrangian reduced-order modeling for the Rayleigh-Taylor instability by solution manifold decomposition

The Rayleigh-Taylor instability is a classical hydrodynamic instability of great interest in various disciplines of science and engineering, including astrophysics, atmospheric sciences and climate, geophysics, and fusion energy. Analytical methods cannot be applied to explain the long-time behavior of the Rayleigh-Taylor instability, and therefore, numerical simulation of the full problem is required. However, in order to capture the growth of amplitude of perturbations accurately, both the spatial and temporal discretizations need to be extremely fine for traditional numerical methods, and long-time simulation may become prohibitively expensive. In this paper, we propose efficient reduced order model techniques to accelerate the simulation of the Rayleigh-Taylor instability in compressible gas dynamics. Here, we introduce a general framework for decomposing the solution manifold to construct the temporal domain partition and temporally-local reduced order model construction with varying Atwood number. We propose two practical approaches in this framework, namely decomposition by physical time and by penetration distance. Numerical results are presented to examine the performance of the proposed approaches.

97 MATHEMATICS AND COMPUTING↗

Electron nongyrotropy in the context of collisionless magnetic reconnection

Collisionless magnetized plasmas have the tendency to isotropize their velocity distribution function around the local magnetic field direction, i.e., to be gyrotropic, unless some spatial and/or temporal fluctuations develop at the particle gyroscales. Electron gyroscale inhomogeneities are well known to develop during the magnetic reconnection process. Nongyrotropic electron velocity distribution functions have been observed to play a key role in the dissipative process breaking the field line connectivity. In this paper, we present a new method to quantify the deviation of a particle population from gyrotropy. The method accounts for the full 3D shape of the distribution and its analytical formulation allows fast numerical computation. Regions associated with a significant degree of nongyrotropy are shown, as well as the kinetic origin of the nongyrotropy and the fluid signature it is associated with. Using the result of 2.5D Particle-In-Cell simulations of magnetic reconnection in symmetric and asymmetric configurations, it is found that neither the reconnection site nor the topological boundaries are generally associated with a maximized degree of nongyrotropy. Nongyrotropic regions do not correspond to a specific fluid behavior as equivalent nongyrotropy is found to extend over the electron dissipation region as well as in non-dissipative diamagnetic drift layers. The localization of highly nongyrotropic regions in numerical models and their correlation with other observable quantities can, however, improve the characterization of spatial structures explored by spacecraft missions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions

Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved—up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fracture detection and imaging through relative seismic velocity changes using distributed acoustic sensing and ambient seismic noise

Fracture systems are important pathways for fluid and solute transport and exert a critical influence on the hydraulic properties of aquifers and reservoirs. Therefore, detailed knowledge of fracture locations, connections, and evolution is crucial for both groundwater and energy applications (e.g., enhanced geothermal, oil and gas recovery, carbon sequestration, and wastewater injection). The innovative combination of distributed acoustic sensing (DAS) and ambient seismic noise techniques has the potential to detect and characterize fracture systems at high-spatial and temporal resolution without an active source. To test this, we conducted a multiphysics field experiment at Blue Canyon Dome, New Mexico. A novel energetic material developed by Sandia National Laboratories was used to generate fractures in two separate stimulations. Ambient noise was recorded before and after each stimulation using fiber-optic cables installed in the outer annulus of four boreholes surrounding the stimulation hole at a radius of 1.2 m. The Python package MSNoise was used to compute crosscorrelations and measure changes in velocity between each time period relative to the initial (prestimulation) time period. The majority of channel pairs showed a velocity reduction (average –3% relative velocity change) following both stimulations. We used a 3D Bayesian tomography approach to resolve spatial variations by utilizing differences between channel pairs. Results showed that the greatest velocity reduction was concentrated near the center of the test area and suggested the presence of a near-vertical fracture, oriented northeast to southwest for depths >19 m below ground surface and extending slightly to the southwest corner. Finally, these results were generally consistent with crosshole seismic tomography time-lapse images. DAS technology provides valuable sensing capability and — when used with a passive seismic approach — shows great promise for monitoring and characterization of fractured-rock systems.

58 GEOSCIENCES↗

Meteorological and hydrological parameters for 17 locations of meteorological stations of the East River Watershed

The Data Package includes a set of csv files of input meteorological parameters for locations of 17 meteorological stations within the East River watershed. These meteorological datasets were downloaded from the (1) PRISM database--monthly precipitation, air temperature (minimum, mean, and maximum), vapor pressure deficit (minimum and maximum), and dewpoint temperature, and (2) NCEP/NCAR Reanalysis database – wind database. The datasets were used for calculations of the Potential Evapotranspiration (ETo), Actual Evapotranspiration (ET), Standard Precipitation Index (SPI) , Standard Evapotranspiration-Precipitation Index (SPEI) for the period from 1966 to 2021. The main research questions addressed are: the evaluation of the long-term temporal trends of climatic parameters, hierarchical clustering, and areal mapping/zonation of the East River watershed. Calculations were conducted in the Rstudio environment. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.The input datasets were downloaded from (a) PRISM database (the Northwest Alliance for Computational Science and Engineering at the Oregon State University), and (b) NCEP/NCAR Reanalysis database.

54 ENVIRONMENTAL SCIENCES↗

Diffusion-Model-Assisted Supervised Learning of Generative Models for Density Estimation

Here, we present a supervised learning framework of training generative models for density estimation. Generative models, including generative adversarial networks (GANs), normalizing flows, and variational auto-encoders (VAEs), are usually considered as unsupervised learning models, because labeled data are usually unavailable for training. Despite the success of the generative models, there are several issues with the unsupervised training, e.g., requirement of reversible architectures, vanishing gradients, and training instability. To enable supervised learning in generative models, we utilize the score-based diffusion model to generate labeled data. Unlike existing diffusion models that train neural networks to learn the score function, we develop a training-free score estimation method. This approach uses mini-batch-based Monte Carlo estimators to directly approximate the score function at any spatial-temporal location in solving an ordinary differential equation (ODE), corresponding to the reverse-time stochastic differential equation (SDE). This approach can offer both high accuracy and substantial time savings in neural network training. Once the labeled data are generated, we can train a simple, fully connected neural network to learn the generative model in the supervised manner. Compared with existing normalizing flow models, our method does not require the use of reversible neural networks and avoids the computation of the Jacobian matrix. Compared with existing diffusion models, our method does not need to solve the reverse-time SDE to generate new samples. As a result, the sampling efficiency is significantly improved. We demonstrate the performance of our method by applying it to a set of 2D datasets as well as real data from the University of California Irvine (UCI) repository.

97 MATHEMATICS AND COMPUTING↗

A HPC “Cyber Wind Facility” Incorporating Fully-Coupled CFD/CSD for Turbine-Platform-Wake Interactions with the Atmosphere and Ocean

The central aims of the DOE-supported “Cyber Wind Facility” project center on the recognition that wind turbines over land and ocean generate power from atmospheric winds that are inherently turbulent and strongly varying, both spatially over the rotor disk and in temporally as the rotating blades pass through atmospheric eddies embedded within the mean wind. The daytime unstable atmospheric boundary layer (ABL) is particularly variable in space time as solar heating generates buoyancy-driven motions that interact with strong mean shear in the ABL “surface layer,” the lowest 200 - 300 m where wind turbines reside in farms. With the “Cyber Wind Facility” (CWF) program we initiate a research and technology direction in which “cyber data” are generated from “computational experiments” within a “facility” akin to a wind tunnel, but with true space-time atmospheric turbulence that drive utility-scale wind turbines at full-scale Reynolds numbers. With DOE support we generated the key “modules” within a computational framework to create a first generation Cyber Wind Facility (CWF) for single wind turbines in the daytime ABL---both over land where the ABL globally unstable and over water with closer-to-neutral atmospheric conditions but with time response strongly affected by wave-induced forcing of the wind turbine platform (here a buoy configuration). The CWF program has significantly improved the accuracy of actuator line models, evaluated with the Cyber Wind Facility in full blade-boundary-layer-resolved mode. The application of the CWF made in this program showed the existence of important ramp-like response events that likely contribute to bearing fatigue failure on the main shaft and that the advanced ALM method developed here captures the primary nonsteady response characteristics. Long-time analysis uncovered distinctive key dynamics that explain primary mechanisms that underlie potentially deleterious load transients. We also showed that blade bend-twist coupling plays a central role in the elastic responses of the blades to atmospheric turbulence, impacting turbine power.

17 WIND ENERGY↗

Point Cloud Based Approach to Stem Width Extraction of Sorghum

A revolution in the field of genomics has produced vast amounts of data and furthered our understanding of the genotypephenotype map, but is currently constrained by manually intensive or limited phenotype data collection. We propose an algorithm to estimate stem width, a key characteristic used for biomass potential evaluation, from 3D point cloud data collected by a robot equipped with a depth sensor in a single pass in a standard field. The algorithm applies a two step alignment to register point clouds in different frames, a Frangi filter to identify stemlike objects in the point cloud and an orientation based filter to segment out and refine individual stems for width estimation. Individually, detected stems which are split due to occlusions are merged and then registered with previously found stems in previous camera frames in order to track temporally. We then refine the estimates to produce an accurate histogram of width estimates per plot. Since the plants in each plot are genetically identical, distributions of the stem width per plot can be useful in identifying genetically superior sorghum for biofuels.

09 BIOMASS FUELS↗

Electron bunch energy and phase feed-forward stabilization system for the Mark V RF-linac free-electron laser

An amplitude and phase compensation system has been developed and tested at the University of Hawai'i for the optimization of the RF drive system to the Mark V free-electron laser. Temporal uniformity of the RF drive is essential to the generation of an electron beam suitable for optimal free-electron laser performance and the operation of an inverse Compton scattering x-ray source. The design of the RF measurement and compensation system is described in detail and the results of RF phase compensation are presented. Performance of the free-electron laser was evaluated by comparing the measured effects of phase compensation with the results of a computer simulation. Finally, preliminary results are presented for the effects of amplitude compensation on the performance of the complete system.

43 PARTICLE ACCELERATORS↗

Thermal infrared images to quantify thermal ablation effects of acid and base on target tissues

Hyperthermia (42-46°C), treatment of tumor tissue through elevated temperature, offers several advantages including high cost-effectiveness, highly targeted ablation and fewer side effects and hence higher safety level over traditional therapies such as chemotherapy and radiotherapy. Recently, hyperthermia using heat release through exothermic acid-base neutralization comes into view owing to its relatively safe products of salt and water and highly confined ablation. However, lack of quantitative understanding of the spatial and temporal temperature profiles that are produced by simultaneous diffusion of liquid chemical and its chemical reaction within tumor tissue impedes the application of this method. This article is dedicated to quantify thermal ablation effects of acid and base both individually and as in neutralization via infrared captured thermal images. A theoretical model is used to approximate specific heat absorption rate (SAR) based on experimental measurements that contrast two types of tissue, normal pork and pig liver. According to the computation, both pork and liver tissue has a higher ability in absorbing hydrochloric acid (HCl) than sodium hydroxide, hence suggesting that a reduced dosage for HCl is appropriate in a surgery. The heating effect depends heavily on the properties of tissue types and amount of chemical reagents administered. Given thermal parameters such as SAR for different tissues, a computational model can be made in predicting temperature transitions which will be helpful in planning and optimizing surgical hyperthermia procedures.

60 APPLIED LIFE SCIENCES↗

Isoenergetic two-photon excitation enhances solvent-to-solute excited-state proton transfer

Two-photon excitation (TPE) is an attractive means for controlling chemistry in both space and time. Since isoenergetic one- and twophoton excitations (OPE and TPE) in non-centrosymmetric molecules are allowed to reach the same excited state, it is usually assumed that they produce similar excited-state reactivity. We compare the solvent-to-solute excited-state proton transfer of the super photobase FR0-SB following isoenergetic OPE and TPE. We find up to 62% increased reactivity following TPE compared to OPE. From steady-state spectroscopy, we rule out the involvement of different excited states and find that OPE and TPE spectra are identical in non-polar solvents but not in polar ones. We propose that differences in the matrix elements that contribute to the two-photon absorption cross sections lead to the observed enhanced isoenergetic reactivity, consistent with the predictions of our high-level coupledcluster-based computational protocol. We find that polar solvent configurations favor greater dipole moment change between ground and excited states, which enters the probability for TPE as the absolute value squared. This, in turn, causes a difference in the Franck– Condon region reached via TPE compared to OPE. We conclude that a new method has been found for controlling chemical reactivity via the matrix elements that affect two-photon cross sections, which may be of great utility for spatial and temporal precision chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physics-inspired spatiotemporal-graph AI ensemble for the detection of higher order wave mode signals of spinning binary black hole mergers

We present a new class of AI models for the detection of quasi-circular, spinning, non-precessing binary black hole mergers whose waveforms include the higher order gravitational wave modes ($\ell$, |m|) = {(2,2), (2,1), (3,3), (3,2), (4,4)}, and mode mixing effects in the $\ell$ = 3, |m| = 2 harmonics. These AI models combine hybrid dilated convolution neural networks to accurately model both short- and long-range temporal sequential information of gravitational waves; and graph neural networks to capture spatial correlations among gravitational wave observatories to consistently describe and identify the presence of a signal in a three detector network encompassing the Advanced LIGO and Virgo detectors. We first trained these spatiotemporal-graph AI models using synthetic noise, using 1.2 million modeled waveforms to densely sample this signal manifold, within 1.7 h using 256 NVIDIA A100 GPUs in the Polaris supercomputer at the Argonne Leadership Computing Facility. This distributed training approach exhibited optimal classification performance, and strong scaling up to 512 NVIDIA A100 GPUs. With these AI ensembles we processed data from a three detector network, and found that an ensemble of 4 AI models achieves state-of-the-art performance for signal detection, and reports two misclassifications for every decade of searched data. We distributed AI inference over 128 GPUs in the Polaris supercomputer and 128 nodes in the Theta supercomputer, and completed the processing of a decade of gravitational wave data from a three detector network within 3.5 h. Finally, we fine-tuned these AI ensembles to process the entire month of February 2020, which is part of the O3b LIGO/Virgo observation run, and found 6 gravitational waves, concurrently identified in Advanced LIGO and Advanced Virgo data, and zero false positives. This analysis was completed in one hour using one NVIDIA A100 GPU.

79 ASTRONOMY AND ASTROPHYSICS↗

Spatiotemporal predictions of toxic urban plumes using deep learning

Industrial accidents, chemical spills, and structural fires can release large amounts of harmful materials that disperse into urban atmospheres and impact populated areas. Computer models are typically used to predict the transport of toxic plumes by solving fluid dynamical equations. However, these models can be computationally expensive due to the need for many grid cells to simulate turbulent flow and resolve individual buildings and streets. In emergency response situations, alternative methods are needed that can run quickly and adequately capture important spatiotemporal features. Here, we present a novel deep learning model called ST-GasNet inspired by the mathematical equations that govern the behavior of plumes as they disperse through the atmosphere. ST-GasNet learns the spatiotemporal dependencies from a limited set of temporal sequences of ground-level toxic urban plumes generated by a high-resolution large eddy simulation model. On independent sequences, ST-GasNet accurately predicts the late-time spatiotemporal evolution, given the early-time behavior as an input, even when a building splits a large plume into smaller plumes. By incorporating large-scale wind boundary condition information, ST-GasNet achieves a prediction accuracy of at least 90% on test data for the entire prediction period.

Civil and Environmental Engineering↗