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At least 667 records · Page 37

Beta-Gamma Data Viewer v2.2.34 User's Manual

This document provides an overview, and procedures, for operating the beta-gamma data viewer for 7 regions of interest (7 ROI) data. The Beta-Gamma 7 ROI Data Viewer is a set of software tools that allow for viewing and analysis of IMS 2.0 Pulse Height Data (PHD) / Pulse Beta Gamma (PBG) files, state of health (SoH) files, and event log files. This is an upgrade from previous release of the tool that includes calibration tools.

97 MATHEMATICS AND COMPUTING↗

Grain2Mesh: Mesh Generation for Grain-Scale Nonlinear Elasticity Modeling

The nonlinear hysteretic behavior of rocks under cyclic loading is a crucial area of study in geomechanics. The macroscopic response of a variety of materials has been found to be contingent upon the behavior of the micro-scale structure. This project aims to develop a functional and maintainable software package for generating a multi-phase numerical mesh and accompanying simulation files for finite element modeling used in computational mechanics solvers. Meshes generated from images often lack key preprocessing that reduces noise and prevents mesh element distortion that can increase computational cost. By incorporating user feedback throughout, grain2mesh ensures a high-fidelity mesh that can be used to model grain-scale interactions such as shearing, crack propagation, and interfacial material contrast. Scientific applications of this software include material fracturing, stress-strain analysis for natural and engineered materials, and nonlinear meso-scale analysis.

54 ENVIRONMENTAL SCIENCES↗

User Guide for BLADE_LC_processor.py

BLADE_LC_processor.py is an optional script within the BLADE (Bolide Light-curve Analysis and Discrimination Explorer) open-source software package. It converts per-event light curve CSVs plus a metadata table into maps, plots, a per-sample trajectory file, and an aggregate summary. It anchors each trajectory at peak brightness, assumes constant speed and entry angle across the event, and propagates altitude and ground track relative to that anchor. The script converts the input azimuth internally to a travel bearing for the map and trajectory. Outputs include event folders with figures and a consolidated CSV containing start, peak, and end altitudes and all original metadata, sorted newest to oldest. For further background, users are referred to the foundational publication: Silber, E. A., Sawal, V. (2025), “BLADE: An Automated Framework for Classifying Light Curves from the Center for Near-Earth Object Studies Fireball Database,” The Astronomical Journal, doi: 10.3847/1538-3881/adeb55.

97 MATHEMATICS AND COMPUTING↗

KBase partners with community developers from several Department of Energy Science Focus Areas to increase functionality of tools and analysis

Several SFAs were selected for training on the KBase Software Development Kit (SDK) to integrate tools and data into the KBase platform. Overall, the collaborative effort was viewed as highly successful. Every SFA project was able to achieve their proposed targets for training and functionality, while also gaining an appreciation for the role KBase plays/could play in their future science plans. Both the SFA and KBase teams felt that continued collaboration would be beneficial, especially if the programs were able to jointly prioritize scope and readiness of future projects. This poster will outline the scope of functionality added by SFA community developers, and highlight points of intersection across these efforts.

59 BASIC BIOLOGICAL SCIENCES↗

10 Boron-film-based gas detectors at ESS

The development of detectors for the European Spallation Source is an important parallel element to the effort put into the design and construction of the neutron source and instruments. The 10Boron-film-based detector developments that started over a decade ago as basic detector concepts have now reached technical maturity after intense prototyping work and numerous testing campaigns. Several of the ESS beamlines that will soon enter the commissioning phase started welcoming the detector systems built with the 10 B-film converter technology. The real-size demonstrators evolved in the last 2–3 years into a diverse suite of gas proportional counters for use in diffraction, reflectometry and small-angle scattering studies in spite of the operational complexity posed by the requirements for large-area coverage, low material budget and robustness for operation in the high-flux and high-radiation environment of ESS. The detectors are now being shipped to ESS or undergoing the last performance and calibration tests before being handed over to the instrument teams for installation in the host beamlines. A common feature of these detector systems is the very large number of readout channels that they are instrumented with in order to fulfill the demanding requirements for sensitivity, spatial resolution and count-rate capability. Across all of the detector types that will operate at ESS, the integration, testing and commissioning of the read-out technologies and software tools for data reduction, calibration and analysis are the focus of the detector and integration teams. These will yield a wealth of knowledge about their operation as well as initial results on the in-situ performance, a very important asset to ensure rapid commissioning of the detectors when neutrons from the ESS source become available. In this paper we will give an overview of the 10 B-film-based detector technologies included in the ESS detector suite that are currently facing the transition from the production phase to installation and integration with the other beamline components, which comes with its own specific challenges of both organizational and technical nature.

47 OTHER INSTRUMENTATION↗

Modeling, Load Profile Validation, and Assessment of Solar-Rooftop Energy Potential for Low-and-Moderate-Income Communities in the Caribbean

This document presents the modeling of load profile consumption for Low-and-Moderate-Income (LMI) communities in the Caribbean Islands, as well as an assessment of the solar-rooftop energy potential. In this work, real data, together with synthetic and electricity bill data, were collected to validate and improve the load profile models. The solar-rooftop energy potential was obtained through a National Renewable Energy Laboratory (NREL) software called the PVWatts calculator, and mathematical analysis. The analysis of rooftop solar energy potential was conducted to enable the minimum size of solar power systems to fit the energy demand in the community. The results obtained allow estimation of the capacity of the energy system for each house or an entire community.

14 SOLAR ENERGY↗

PROTOCALC, a W -band Polarized Calibrator for Cosmic Microwave Background Telescopes: Application to Simons Observatory and CLASS

Current- and next-generation cosmic microwave background (CMB) experiments will measure polarization anisotropies with unprecedented sensitivities. The need for high precision in these measurements underscores the importance of gaining a comprehensive understanding of instrument properties, with a particular emphasis on the study of the beam properties, and especially their polarization characteristics and the measurement of the polarization angle. In this context, a major challenge lies in the scarcity of millimeter polarized astrophysical sources with sufficient brightness and calibration knowledge to meet the stringent accuracy requirements of future CMB missions. This led to the development of a drone-borne calibration source designed for the frequency band centered on approximately 90 GHz, matching a commonly used channel in ground-based CMB measurements. The Prototype Calibrator for Cosmology, PROTOCALC, has undergone thorough in-lab testing, and its properties have been subsequently modeled through simulation software integrated into the standard Simons Observatory analysis pipeline. Moreover, the PROTOCALC system has been tested in the field, having been deployed twice on calibration campaigns with CMB telescopes in the Atacama Desert. The data collected constrain the roll angle of the source with a statistical accuracy of 0$^°_•$045.

79 ASTRONOMY AND ASTROPHYSICS↗

LandScan Global 2023: Silver Edition

For a quarter of a century, the LandScan Global (LSG) project has annually released a global, high-resolution gridded population dataset representing the ambient or unwarned population at a 30 arcsecond resolution. LSG supports a range of applications such as emergency management, disaster response, and human health and security for understanding populations at risk. The 2023 release of LSG, the LandScan Silver Edition, represents a major methodological leap forward while also leveraging previous knowledge—the previous year was the baseline for the current annual update carrying forward valuable knowledge of the built environment for the past quarter century—to train the machine learning models. Compared with annual releases over the past 24years, multiple advancements were made to different aspects of the methodology to achieve reproducibility, transparency, and consistent global propagation of solutions to modeling or population distribution issues identified during the review process. These novel changes include incorporation of the latest available geospatial inputs across the globe, machine learning models instead of manual modifications, population feature importance analysis, open-source solutions vs. proprietary software, generation of multiple global versions, analytic validations, and human-in-the-loop revisions to produce the final version. Additionally, algorithms—such as anomaly detection—were introduced to quickly identify areas of focus to develop a new and robust systematic review. Significant changes in modeled population distributions were observed between the 2022 and 2023 releases, largely attributable to improvements in data and methods and discussed thoroughly within this report. In summation, the LandScan Silver Edition leverages the best of the past quarter century of LSG legacy knowledge and continues a tradition of applying cutting-edge enhancements to serve as a new benchmark for accurate, actionable gridded population data

Lebakula, Viswadeep↗

Quantifying uncertainty in Pareto estimates of global lake area

This software contains the code for Bayesian uncertainty analysis of global lake area. Computed uncertainties are compared against more conventional estimation using lake size-abundance distributions. Routines are included to explore sensitivity to observational errors and ad-hoc "censoring" strategies.

Stachelek, Jemma↗

System Advisor Model (SAM) [Slides]

The System Advisor Model (SAM) is a free software that enables detailed performance and financial analysis for energy systems. • Conducts technoeconomic analysis of energy technologies to facilitate planning and decision making.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

pyNuMAD v.0.1

SAND2024-08606O The pyNuMAD software is used for managing wind turbine blade model data. pyNuMAD specializes in defining the geometry, materials, and boundary conditions for structural analysis of wind turbine blades. This includes loading in data files and providing an interface for users to make updates to the model. The software also features meshing functionality, which takes the blade model and creates a shell or brick mesh for use in finite element analysis. A typical user workflow might be: load in blade information from a yaml file, make adjustments to the blade properties, update the blade based on the adjustments, create a mesh of the blade, export this blade to another software for structural analysis. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Paquette, Joshua↗

Methodology for Thermodynamic Analysis Coupled with Computational Fluid Dynamics Modeling for Casting a Novel Aluminum–Cerium Alloy

In this paper, we present the results of computational fluid dynamics (CFD) analysis to assess castability, porosity, molten metal fluidity and other technological properties of a new Al-Ce alloy. A thermodynamic analysis of a new Al-Ce alloy is done to obtain the physical properties as a function of temperature across both solid and liquid phases. These properties are then used to build the CFD of model the full casting process from initial pouring through to final solidification of the part, here an example of a heavy duty mor mount is used. While several excellent commercial CFD codes exists this process shows that CFD can be used to assess the capability of the alloy to properly fill the mold, as well as give predictions where scattered porosity or large-scale defects may occur in the casting. Further, unlike the commercially available software (e.g., ProCAST, SOLIDCast , MAGMASOFT®) the complex 3D-analysis of the stress / strain fields in cast parts is not performed at this time. However, the availability of free software for assessing the required thermodynamic / thermo-physical properties of new alloys (OpenCALPHAD) and CFD codes such as OpenFOAM® makes the developed option attractive and economical, especially for the analysis of new Al-Ce alloys, for which the available data does not exist.

36 MATERIALS SCIENCE↗

Drilling Down I/O Bottlenecks with Cross-layer I/O Profile Exploration

I/O performance monitoring tools such as Darshan and Recorder collect I/O-related metrics on production systems and help understand the applications' behavior. However, some gaps prevent end-users from seeing the whole picture when it comes to detecting and drilling down to the root causes of I/O performance slowdowns and where those problems originate. These gaps arise from limitations in the available metrics, their collection strategy, and the lack of translation to actionable items that could advise on optimizations. This paper highlights such gaps and proposes solutions to drill down to the source code level to pinpoint the root causes of I/O bottlenecks scientific applications face by relying on cross-layer analysis combining multiple performance metrics related to I/O software layers. We demonstrate with two real applications how metrics collected in high-level libraries (which are closer to the data models used by an application), enhanced by source-code insights and natural language translations, can help streamline the understanding of I/O behavior and provide guidance to end-users, developers, and supercomputing facilities on how to improve I/O performance. Using this cross-layer analysis and the heuristic recommendations, we attained up to 6.9× speedup from run-as-is executions.

Ather, Hammad↗

Real‐time XFEL data analysis at SLAC and NERSC: A trial run of nascent exascale experimental data analysis

X‐ray scattering experiments using free electron lasers (XFELs) are a powerful tool to determine the molecular structure and function of unknown samples (such as COVID‐19 viral proteins). XFEL experiments are a challenge to computing in two ways: (i) due to the high cost of running XFELs, a fast turnaround time from data acquisition to data analysis is essential to make informed decisions on experimental protocols; (ii) data‐collection rates are growing exponentially, requiring new scalable algorithms. Here we report our experiences analyzing data from two experiments at the Linac Coherent Light Source (LCLS) during September 2020. Raw data were analyzed on NERSC's Cori XC40 system, using the Superfacility paradigm: our workflow automatically moves raw data between LCLS and NERSC, where it is analyzed using the software package CCTBX. We achieved real time data analysis with a turnaround time from data acquisition to full molecular reconstruction in as little as 10 min—sufficient time for the experiment's operators to make informed decisions. By hosting the data analysis on Cori, and by automating LCLS‐NERSC interoperability, we achieved a data analysis rate which matches the data acquisition rate. Completing data analysis within 10 min is a first for XFEL experiments and an important milestone if we are to keep up with data‐collection trends.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Real-Time XFEL Data Analysis at SLAC and NERSC: a Trial Run of Nascent Exascale Experimental Data Analysis

X-ray scattering experiments using Free Electron Lasers (XFELs) are a powerful tool to determine the molecular structure and function of unknown samples (such as COVID-19 viral proteins). XFEL experiments are a challenge to computing in two ways: i) due to the high cost of running XFELs, a fast turnaround time from data acquisition to data analysis is essential to make informed decisions on experimental protocols; ii) data collection rates are growing exponentially, requiring new scalable algorithms. Here we report our experiences analyzing data from two experiments at the Linac Coherent Light Source (LCLS) during September 2020. Raw data were analyzed on NERSC's Cori XC40 system, using the Superfacility paradigm: our workflow automatically moves raw data between LCLS and NERSC, where it is analyzed using the software package CCTBX. We achieved real time data analysis with a turnaround time from data acquisition to full molecular reconstruction in as little as 10 min -- sufficient time for the experiment's operators to make informed decisions. By hosting the data analysis on Cori, and by automating LCLS-NERSC interoperability, we achieved a data analysis rate which matches the data acquisition rate. Furthermore, completing data analysis with 10 mins is a first for XFEL experiments and an important milestone if we are to keep up with data collection trends.

Blaschke, Johannes P.↗

srlife : a software tool for estimating the life of high temperature concentrating solar receivers. Part I – metallic receivers

Here, this paper introduces srlife, a tool for estimating the structural service life of concentrating solar power (CSP) receivers operating at high temperatures. Supporting both metallic and ceramic receiver designs, srlife is available as open-source software at https://github.com/applied-material-modeling/srlife and can be installed via the PyPi package manager (https://pypi.org). Given basic receiver geometry and incident heat flux, the tool performs thermohydraulic and structural analysis and estimates the life of a receiver. Designed for easy integration into a software stack, including solar field and levelized cost analysis, the tool can be utilized for optimizing receiver designs to meet service life and economic targets. This paper is Part I in a two-part series. Part I discusses the analysis process used to estimate the life of metallic receivers, along with a description of the required input data. Additionally, several heuristics applied within srlife can reduce analysis time significantly while maintaining accurate life estimations for metallic receivers when compared to full analyses. Several examples demonstrating the utility of srlife in receiver design are also discussed. Part II focuses on the life estimation of ceramic receivers, using time-dependent reliability analysis and various ceramic failure models implemented in srlife.

Creep-fatigue analysis↗

NGPINT V3: a containerized orchestration Python software for discovery of next-generation protein–protein interactions

Abstract Summary Batch yeast two-hybrid (Y2H) assays, leveraged with next-generation sequencing, have afforded successful innovations for the analysis of protein–protein interactions. NGPINT is a Conda-based software designed to process the millions of raw sequencing reads resulting from Y2H–next-generation interaction screens. Over time, increasing compatibility and dependency issues have prevented clean NGPINT installation and operation. A system-wide update was essential to continue effective use with its companion software, Y2H-SCORES. We present NGPINT V3, a containerized implementation built with both Singularity and Docker, allowing accessibility across virtually any operating system and computing environment. Availability and implementation This update includes streamlined dependencies and container images hosted on Sylabs (https://cloud.sylabs.io/library/schuyler/ngpint/ngpint) and Dockerhub (https://hub.docker.com/r/schuylerds/ngpint), facilitating easier adoption and integration into high-throughput and cloud-computing workflows. Full instructions and software can be also found in the GitHub repository https://github.com/Wiselab2/NGPINT_V3 and Zenodo https://doi.org/10.5281/zenodo.15256036.

Biochemistry & Molecular Biology↗