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At least 19 records

Delta: Data Reduction for Integrated Application Workflows

Integrated Application Workflows (IAWs) run multiple simulation workflow components concurrently on an HPC resource connecting these components using compute area resources and compensating for any performance or data processing rate mismatches. These IAWs require high frequency and high volume data transfers between compute nodes and staging area nodes during the lifetime of a large parallel computation. The available network band-width between the two areas may not be enough to efficiently support the data movement. As the processing power available to compute resources increases, the requirements for this data transfer will become more difficult to satisfy and perhaps will not be satisfiable at all since network capabilities are not expanding at a comparable rate. Furthermore, energy consumption in HPC environments is expected to grow by an order of magnitude as exascale systems become a reality. The energy cost of moving large amounts of data frequently will contribute to this issue. It is necessary to reduce the volume of data without reducing the quality of data when it is being processed and analyzed. Delta resolves the issue by addressing the lifetime data transfer operations. Delta removes subsequent identical copies of already transmitted data during transfers and restores those copies once the data has reached the destination. Delta is able to identify duplicated information and determine the most space efficient way to represent it. Initial tests show about 50% reduction in data movement while maintaining the same data quality and transmission frequency.

97 MATHEMATICS AND COMPUTING↗

SOFIA: Spectrometer Optimized for Facility Integrated Applications

Los Alamos National Laboratory researchers developed the Spectrometer Optimized for Facility Integrated Applications (SOFIA) for new capabilities in non-destructive nuclear material analysis, nuclear data measurements, and actinide science. SOFIA is the first ultra-high resolution gamma spectrometer technology based on low-temperature microcalorimeter designs. By precisely measuring the gamma rays passively emitted from radioactive and nuclear materials, SOFIA provides rapid, completely nondestructive analysis to improve the economics and timeliness of nuclear material analysis by reducing reliance on costly sampling and destructive analysis. By developing the first compact instrument based on ultrahigh resolution microcalorimeter gamma spectroscopy, the researchers intended to bring this technology into practical use in nuclear facilities and analytical laboratories.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Bias Correcting NOAA's High-Resolution Rapid Refresh (HRRR) Wind Resource Data for Grid Integration Applications [Slides]

Many weather years of high-quality wind data are widely accepted in the grid integration community to be important for studying wind energy technical potential, energy system operations, and grid resilience. NREL makes high-quality wind and solar resource data available. NREL's Grid-Atmosphere workshop (March 2024) identified NREL National Solar Radiation Database as widely used in grid integration modeling, but there is less agreement on commonly used wind datasets. One important factor identified by ESIG's 2023 report 'Weather Dataset Needs for Planning and Analyzing Modern Power Systems' for gold standard wind data is regular updates. To address the need for regular updates, NREL's team can now process all currently available and regularly updated High-Resolution Rapid Refresh (HRRR) outputs. HRRR is an hourly-updated operational forecast product produced by the National Oceanic and Atmospheric Administration (NOAA) (Dowell et al., 2022). One barrier to NREL using HRRR is systematic bias and consistency with NREL's existing wind datasets (e.g. WIND Toolkit, 'WTK') across weather years. To address this barrier, we show that the HRRR can be interpolated and bias-corrected to be consistent with NRE's existing datasets. We call the new dataset BC-HRRR (bias-corrected HRRR). As with historical datasets like the WTK, BC-HRRR is intended for use in grid integration modeling (e.g., capacity expansion, production cost, and resource adequacy modeling). BC-HRRR's (2015-present) consistency with WTK (2007-2013) allows NREL to extend internal grid integration tooling with 15+ weather years of wind data with low-overhead extensibility to future years as they are made available by NOAA. The rest of this slide deck documents the BC-HRRR processing methods, validation, and its implications for intended use.

17 WIND ENERGY↗

Bias Corrected NOAA HRRR Wind Resource Data for Grid Integration Applications

To address the need for regularly updated wind resource data, NREL has processed the High-Resolution Rapid Refresh (HRRR) outputs for use in grid integration modeling. The HRRR is an hourly-updated operational forecast product produced by the National Oceanic and Atmospheric Administration (NOAA) (Dowell et al., 2022). Several barriers have prevented the HRRR's widespread proliferation in the wind energy industry: missing timesteps (prior to 2019), challenging file format for wind energy analysis, limited vertical height resolution, and negative bias versus legacy WIND Toolkit data (2007-2013). NREL has applied re-gridding, interpolation, and bias-correction to the native HRRR data to overcome these limitations. This results in the now-publicly-available bias corrected and interpolated HRRR (BC-HRRR) dataset for weather years 2015 to 2023. Bias correction is necessary for wind resource consistency across weather years to be used simultaneously in planning-focused grid integration studies alongside the original WIND Toolkit data. We show that quantile mapping with the WIND Toolkit as a historical baseline is an effective method for bias correcting the interpolated HRRR data: the BC-HRRR has reduced mean bias versus comparable gridded wind resource datasets (+0.12 m/s versus Vortex) and has very low mean bias versus ground measurement stations (+0.01 m/s) (Buster et al., 2024). BC-HRRR's consistency with the legacy WIND Toolkit allows NREL to extend grid integration analysis to 15+ weather years of wind data with low-overhead extensibility to future years as they are made available by NOAA. As with historical datasets like the WIND Toolkit, BC-HRRR is intended for use in grid integration modeling (e.g., capacity expansion, production cost, and resource adequacy modeling) both independently and alongside the legacy WIND Toolkit.

Array↗

SU-G-TeP4-06: An Integrated Application for Radiation Therapy Treatment Plan Directives, Management, and Reporting

Purpose: With electronic medical records, patient information for the treatment planning process has become disseminated across multiple applications with limited quality control and many associated failure modes. We present the development of a single application with a centralized database to manage the planning process. Methods: The system was designed to replace current functionalities of (i) static directives representing the physician intent for the prescription and planning goals, localization information for delivery, and other information, (ii) planning objective reports, (iii) localization and image guidance documents and (iv) the official radiation therapy prescription in the medical record. Using the Eclipse Scripting Application Programming Interface, a plug-in script with an associated domain-specific SQL Server database was created to manage the information in (i)–(iv). The system’s user interface and database were designed by a team of physicians, clinical physicists, database experts, and software engineers to ensure usability and robustness for clinical use. Results: The resulting system has been fully integrated within the TPS via a custom script and database. Planning scenario templates, version control, approvals, and logic-based quality control allow this system to fully track and document the planning process as well as physician approval of tradeoffs while improving the consistency of the data. Multiple plans and prescriptions are supported along with non-traditional dose objectives and evaluation such as biologically corrected models, composite dose limits, and management of localization goals. User-specific custom views were developed for the attending physician review, physicist plan checks, treating therapists, and peer review in chart rounds. Conclusion: A method was developed to maintain cohesive information throughout the planning process within one integrated system by using a custom treatment planning management application that interfaces directly with the TPS. Future work includes quantifying the improvements in quality, safety and efficiency that are possible with the routine clinical use of this system. Supported in part by NIH-P01-CA-059827.

60 APPLIED LIFE SCIENCES↗

Review of the fundamental theories behind small angle X-ray scattering, molecular dynamics simulations, and relevant integrated application

In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MDSAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics’ equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Integrated telescope for imaging applications

Integrated telescopes are described that are stable and compact, and include optics pieces that are susceptible to stray light. One example telescope includes an optics piece formed of a transparent optical material and two surfaces with each surface including a reflector surface and a baffle. The baffles may be formed in a groove in one of the surfaces of the optics piece. The baffle may have an index of refraction that is approximately the same as an index of refraction of the optics piece. The baffle may include a blackened epoxy, a carbon black material, or a powdered black spinel. The integrated telescope may include a short-wave infrared image sensor fixed in position relative to the optics piece.

Bauman, Brian↗

Integrated modeling applications for tokamak experiments with OMFIT

We developed one modeling framework for integrated tasks (OMFIT) is a comprehensive integrated modeling framework which will enable physics codes to interact in complicated workflows, and support scientists at all stages of the modeling cycle. The OMFIT development follows a unique bottom-up approach, where the framework design and capabilities organically evolve to support progressive integration of the components that are required to accomplish physics goals of increasing complexity. OMFIT provides a workflow for easily generating full kinetic equilibrium reconstructions that are constrained by magnetic and motional Stark effect measurements, and kinetic profile information that includes fast-ion pressure modeled by a transport code. It was found that magnetic measurements can be used to quantify the amount of anomalous fast-ion diffusion that is present in DIII-D discharges, and provide an estimate that is consistent with what would be needed for transport simulations to match the measured neutron rates. OMFIT was used to streamline edge-stability analyses, and evaluate the effect of resonant magnetic perturbation (RMP) on the pedestal stability, which have been found to be consistent with the experimental observations. Moreover, the development of a five-dimensional numerical fluid model for estimating the effects of the interaction between magnetohydrodynamic (MHD) and microturbulence, and its systematic verification against analytic models was also supported by the framework. OMFIT was used for optimizing an innovative high-harmonic fast wave system proposed for DIII-D. For a parallel refractive index n(parallel to) > 3, the conditions for strong electron-Landau damping were found to be independent of launched n(parallel to) and poloidal angle. OMFIT has been the platform of choice for developing a neural-network based approach to efficiently perform a non-linear multivariate regression of local transport fluxes as a function of local dimensionless parameters. Transport predictions for thousands of DIII-D discharges showed excellent agreement with the power balance calculations across the whole plasma radius and over a broad range of operating regimes. Concerning predictive transport simulations, the framework made possible the design and automation of a workflow that enables self-consistent predictions of kinetic profiles and the plasma equilibrium. It is found that the feedback between the transport fluxes and plasma equilibrium can significantly affect the kinetic profiles predictions. Finally, such a rich set of results provide tangible evidence of how bottom-up approaches can potentially provide a fast track to integrated modeling solutions that are functional, cost-effective, and in sync with the research effort of the community.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An array of virtual Frisch-grid CdZnTe detectors and a front-end application-specific integrated circuit for large-area position-sensitive gamma-ray cameras

We developed a robust and low-cost array of virtual Frisch-grid CdZnTe (CZT) detectors coupled to a front-end readout ASIC for spectroscopy and imaging of gamma rays. The array operates as a self-reliant detector module. It is comprised of 36 close-packed 6x6x15 mm 3 detectors grouped into 3x3 sub-arrays of 2x2 detectors with the common cathodes. The front-end analog ASIC accommodates up to 36 anode and 9 cathode inputs. Several detector modules can be integrated into a single- or multi-layer unit operating as a Compton or a coded-aperture camera. We present the results from testing two fully assembled modules and readout electronics. The further enhancement of the arrays’ performance and reduction of their cost are made possible by using position-sensitive virtual Frisch-grid detectors, which allow for accurate corrections of the response of material non-uniformities caused by crystal defects.

36 MATERIALS SCIENCE↗

Wearable Sensor Application for Integrated Early Warning and Health Surveillance

Objective: The Wearable Sensor Application developed by Pacific Northwest National Laboratory (PNNL) provides an early warning system for stressors to individual and group health using physiologic and environmental indicators. The application integrates health monitoring parameters from wearable sensors, e.g., temperature and heart rate, with relevant environmental parameters, e.g., weather and landscape data, and calculates the corresponding physiological strain index. The information is presented to the analyst in a group and individual view with real-time alerting of abnormal health parameters. This application is the first of its kind being developed for integration into the Defense Threat Reduction Agency's Biosurveillance Ecosystem (BSVE).Introduction: Wearable devices are a low cost, minimally invasive way to monitor health. Sensor data provides real-time physiological indictors of an individual’s health status without the requirement of health care professionals or facilities. Information gleamed from wearable sensors can be used to better understand physiological stressors and prodromal symptoms. In addition, this data can be used to monitor individuals that are in high risk of health-related problems.However, raw data from wearable sensors can be overwhelming to process and laborious to monitor for an individual and, even more so, for a group of individuals. Often specific combination of ranges of sensor readings are indicative of changes to health status and need to be evaluated together or used to calculate specific signal parameters. In addition, the environment surrounding the individual needs to be considered when interpreting the data. To address these issues, PNNL has developed an application that collects, analyzes, and integrates wearable sensor data with geographic landscape and weather information to provide a real-time early alert and situational awareness tool for monitoring the health of groups and individuals.Methods: The prototype application described here was a product of PNNL’s BSVE Application Development Competition. The final product that will be deployed in the BSVE is currently under development by PNNL and will vary slightly in the exact design and architecture described.Data. Wearable sensor data was collected from the Rim2Rim (R2R) Watch Study of individuals hiking the Grand Canyon in Arizona [1]. Weather information was obtained from nearby weather stations and mapping features were derived from Google Maps.Calculations. A physiological Strain Index (PSI) was calculated using core temperature estimates derived through a Kalman Filter approach and heart rate [2,3].Application. The prototype backend application development was based in Python with a MongoDB. The front-end development was built using a scalable architecture and modular approach with components in React and D3.Results: A prototype application was developed this past summer through the PNNL BSVE App Competition (Fig 1). The application was aimed at visualizing wearable sensor data from the Grand Canyon R2R hike dataset. Simulated real-time analysis was used to calculate health status of individuals hiking based on measured physiological parameters and to alert to individuals with signs of physiologic health stress. Visualization tools were incorporated to enable sensor data for individuals and the group to be viewed simultaneously along with pertinent weather, geographic, and elevation data.Many features described in the prototype application will be incorporated into the final BSVE application. The key changes will be 1) the ability to select given time periods for viewing historical data as well as the real-time data collection, 2) environmental data and map view will come from BSVE internal data sources, and 3) the alerts will provide more information and have their own page for reviewing.Conclusions: The Wearable Sensor Application developed by PNNL for integration into the BSVE provides an early warning system for individual and group health using physiologic and environmental parameters. The application highlights health status from wearable sensors and relevant environmental parameters while monitoring a calculated physiological strain index. With this tool, an analyst can easily monitor the health of individuals and groups with the aid of real-time alerting tool for early detection of abnormal health parameters.

Early Warning↗

Development of Multistep and Degenerate Variational Integrators for Applications in Plasma Physics

Geometric integrators yield high-fidelity numerical results by retaining conservation laws in the time advance. A particularly powerful class of geometric integrators is symplectic integrators, which are widely used in orbital mechanics and accelerator physics. An important application presently lacking symplectic integrators is the guiding center motion of magnetized particles represented by non-canonical coordinates. Because guiding center trajectories are foundational to many simulations of magnetically confined plasmas, geometric guiding center algorithms have high potential for impact. The motivation is compounded by the need to simulate long-pulse fusion devices, including ITER, and opportunities in high performance computing, including the use of petascale resources and beyond. This dissertation uses a systematic procedure for constructing geometric integrators - known as variational integration - to deliver new algorithms for guiding center trajectories and other plasma-relevant dynamical systems. These variational integrators are non-trivial because the Lagrangians of interest are degenerate - the Euler-Lagrange equations are first-order differential equations and the Legendre transform is not invertible. The first contribution of this dissertation is that variational integrators for degenerate Lagrangian systems are typically multistep methods. Multistep methods admit parasitic mode instabilities that can ruin the numerical results. These instabilities motivate the second major contribution: degenerate variational integrators. By replicating the degeneracy of the continuous system, degenerate variational integrators avoid parasitic mode instabilities. The new methods are therefore robust geometric integrators for degenerate Lagrangian systems. These developments in variational integration theory culminate in one-step degenerate variational integrators for non-canonical magnetic field line flow and guiding center dynamics. The guiding center integrator assumes coordinates such that one component of the magnetic field is zero; it is shown how to construct such coordinates for nested magnetic surface configurations. Additionally, collisional drag effects are incorporated in the variational guiding center algorithm for the first time, allowing simulation of energetic particle thermalization. Advantages relative to existing canonical-symplectic and non-geometric algorithms are numerically demonstrated. All algorithms have been implemented as part of a modern, parallel, ODE-solving library, suitable for use in high-performance simulations.

Guiding Center↗