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At least 109 records · Page 6

FY19 Progress of EBS International Collaborations

The SNL EBS International activities were focused on two main collaborative efforts for FY19 — 1) Developing analytical tools to study and better understand multi-phase flow and coupled process physics in engineered barrier materials and at the interface between EBS materials and host media, and 2) Benchmarking of reactive transport codes (including PFLOTRAN) used for chemical evolution of cementitious EBS components. Topic 1 is being studied as part of the SKB EBS Task Force, while Topic 2 is being pursued as a collaboration with researchers from Vanderbilt University and NRG in the the Netherlands.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Interactive Web Application for Traffic Simulation Data Management and Visualization

As traffic simulation software becomes more effective for realistically simulating and analyzing traffic dynamics and vehicle interactions on the mesoscopic and microscopic level, the management, dissemination, and collaborative visualization of traffic simulation results produced by individual transportation planners presents a significant challenge. Existing online content management systems have a very limited capability in allowing users to query specific traffic simulation scenarios and geospatially visualize simulation results through shareable and interactive web interfaces. This paper presents a web-based application for promoting the archiving, sharing, and visualization of large-scale traffic simulation outputs. The application is developed to enhance cyber-physical controls, communications, and public education for collaborative transportation planning. Unique features of the web application include: (a) allowing users to upload their new traffic simulation scenarios (parameters and outputs), as well as search existing scenarios using easily accessible interfaces; (b) optimizing simulation output files with heterogeneous data formats and projected coordinate systems for web-based storage and management using a scalable and searchable data/metadata standard; (c) standardizing user-uploaded simulation outputs using web interfaces and data processing libraries with parallel computing capacity; and (d) providing shareable web visual interfaces for visualizing the traffic flow and signal information stored in simulation outputs (e.g., regional traffic patterns and individual vehicle interactions) and visually comparing multiple simulation outputs both spatially and temporally. Furthermore, the paper presents the conceptual design and implementation of this application, and demonstrates the application’s performance for sharing, comparing, and visualizing simulation outputs from VISSIM and SUMO, two commonly used traffic simulation software programs.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Coupled Thermo-Mechanical and Photo-Chemical Degradation Mechanisms that determine the Reliability and Operational Lifetimes for CPV Technologies

This project sought to identify and characterize the coupled intrinsic photo-chemo-mechanical degradation mechanisms that determine the reliability and operational lifetimes for CPV technologies. Over a three year period, we have completed a highly successful program which has developed quantitative metrologies and detailed physics-based degradation models, providing new insight into the fundamental reliability physics necessary for improving materials, creating accelerated testing protocols, and producing more accurate lifetime predictions. The tasks for the program were separated into two focus areas shown in the figure below. Focus Area 1, led by Reinhold Dauskardt and Warren Cai with a primary collaboration with David Miller of NREL, studied the degradation mechanisms present in encapsulant materials. Focus Area 2, led by Reinhold Dauskardt and Ryan Brock with a primary collaboration with James Ermer and Peter Hebert of Spectrolab, studied stress development and degradation within internal CPV device interfaces. Each focus area was productive, leading to several publications, including findings on the degradation of silicone encapsulant under terrestrial UV, a model for photodegradation of silicone encapsulant adhesion, quantification and process tuning of antireflective layers on CPV, and discovery of a thermal cycling degradation mechanism present in metal gridline structures.

36 MATERIALS SCIENCE↗

Distributed Wind Controls: A Research Roadmap for Microgrids, Infrastructure Resilience, and Controls Launchpad (MIRACL)

The Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL) project’s controls research area aims to expand the benefits from distributed wind (DW) generation assets beyond solely providing low cost power directly to consumers. To make distributed wind turbines operate more effectively there is a need for more advanced ways to control them, allowing power companies, businesses, and energy consumers to take advantage of the unique characteristics of wind energy. DW can contribute to the safe and secure operation of grid by providing services such as voltage regulation, frequency regulation, spinning reserves, and even black start capabilities. In the larger DER context where much of the research has focused around solar technologies, the inertia available in wind technologies has generally not been considered. For wind turbines to provide these services in an optimal and expanded way, development and demonstration of control methods and communication interfaces within a grid and microgrid framework are required. In this document, NREL led the literature review in collaboration with SNL, of DER controls-focused integration research to establish a baseline for the controls research under the MIRACL project to identify specific control functions to be focused on throughout this project. This literature review focused primarily on the control functions of variable distributed generation, largely pulling from past solar PV and battery controls works, with a specific focus on applicability for distributed wind energy systems. The goal of this document is to identify a research roadmap based on the open literature and past national laboratory works to inform advanced wind turbine and power electronics control functions for four use cases: 1) distributed wind in isolated systems, 2) grid-connected microgrids (wind-hybrid systems and islanded operation), 3) behind-the-meter distributed wind applications in the power distribution systems, and 4) front-of-the-meter distributed wind applications in the power distribution systems.

17 WIND ENERGY↗

GROWdb US River Systems - Samples

GROW Overview We developed the Genome Resolved Open Watersheds database (GROWdb), which aims to increase genomic sampling and understanding of global river microbiomes. An emphasis of GROWdb is to create a publicly available and ever-expanding microbial genome database that is focused on rivers while being interoperable with databases from other ecosystems. GROWdb is based on a network-of-networks approach to move beyond a small collection of well-studied rivers, towards a spatially distributed, global network of systematic observations. GROWdb represents the first microbial, river-focused resource parsed at various scales from genes to MAGs to community level including expression and potential based measurements that will be of interest to microbiologists, ecologists, geochemists, hydrologists, and modelers. Dataset Acknowledgement GROWdb contains data from various research campaigns, please acknowledge the following data generators, as appropriate: WHONDRS derived genomes or samples - include this statement in your acknowledgements: “This study used data from the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) under the River Corridor Science Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL) that was generated at the U.S. Department of Energy (DOE) Joint Genome Institute User Facility. PNNL is operated by Battelle Memorial Institute for the U.S. DOE under Contract No. DE-AC05-76RL01830. The SFA is supported by the U.S. DOE, Office of Biological and Environmental Research (BER), Environmental System Science (ESS) Program.” Total Samples loaded onto this Narrative: 178 Note: Not all GROW samples may be loaded into KBase Data Availability The data underlying GROWdb are accessible across various platforms to ensure all levels of data structure are widely available. First, all reads and MAGs are publicly hosted on National Center for Biotechnology (NCBI) under Bioproject PRJNA946291. Second, all data related data presented here including MAG annotations, extended data tables, phylogenetic tree files, antibiotic resistance gene database files, and MAG abundance tables are available in Zenodo (link). Beyond the flat database files listed above, our aim for GROWdb was to maximize data use by making the data available in searchable and interactive platforms including the National Microbiome Data Collaborative (NMDC) data portal, the Department of Energy’s Systems Biology Knowledgebase (KBase), and a GROW specific user interface released here, GROWdb Explorer. Each platform provides different ways to interact with GROWdb: NMDC GROWdb formed a pilot project for the NMDC. Specifically, individual GROWdb datasets (metagenomes, metatranscriptomes, etc) are easily accessible and searchable through the NMDC data portal, where they are systematically connected to each other and to a rich suite of sample information and standard analysis results, following Findable, Accessible, Interoperable, and Reusable (FAIR) data practices. KBase GROWdb is publicly available within KBase, including samples (this Narrative), MAGs, and corresponding genome scale metabolic models. Access within KBase allows for immediate access and reuse of data, including comparison to private data using KBase’s 500+ analysis tools. Other linked narratives in KBase: GROW Metagenome Assembled Genomes (MAGs) GROW Metabolic Models GROWdb Explorer GROWdb data is also explorable through a graphical user interface built through the Colorado State University Geospatial Centroid (https://geocentroid.shinyapps.io/GROWdatabase/), allowing users to search and graph microbial and spatial data simultaneously. In summary, this microbial genome resource represents the first publicly available genome collection from rivers and offers data that can be leveraged across microbiome studies. GROWdb is an expanding repository to incorporate and unify global river multi-omic data for the future.

59 BASIC BIOLOGICAL SCIENCES↗

A Grassroots Network and Community Roadmap for Interconnected Autonomous Science Laboratories for Accelerated Discovery

Scientific discovery is being revolutionized by AI and autonomous systems, yet current autonomous laboratories remain isolated islands unable to collaborate across institutions. We present the Autonomous Interconnected Science Lab Ecosystem (AISLE), a grassroots network transforming fragmented capabilities into a unified system that shorten the path from ideation to innovation to impact and accelerates discovery from decades to months. AISLE addresses five critical dimensions: (1) cross-institutional equipment orchestration, (2) intelligent data management with FAIR compliance, (3) AI-agent driven orchestration grounded in scientific principles, (4) interoperable agent communication interfaces, and (5) AI/ML-integrated scientific education. By connecting autonomous agents across institutional boundaries, autonomous science can unlock research spaces inaccessible to traditional approaches while democratizing cutting-edge technologies. This paradigm shift toward collaborative autonomous science promises breakthroughs in sustainable energy, materials development, and public health.

Ferreira da Silva, Rafael [Oak Ridge National Labo↗

Enabling AI in synthetic biology through Construction File specification

The Construction File (CF) specification establishes a standardized interface for molecular biology operations, laying a foundation for automation and enhanced efficiency in experiment design. It is implemented across three distinct software projects: PyDNA_CF_Simulator, a Python project featuring a ChatGPT plugin for interactive parsing and simulating experiments; ConstructionFileSimulator, a field-tested Java project that showcases 'Experiment' objects expressed as flat files; and C6-Tools, a JavaScript project integrated with Google Sheets via Apps Script, providing a user-friendly interface for authoring and simulation of CF. The CF specification not only standardizes and modularizes molecular biology operations but also promotes collaboration, automation, and reuse, significantly reducing potential errors. The potential integration of CF with artificial intelligence, particularly GPT-4, suggests innovative automation strategies for synthetic biology. While challenges such as token limits, data storage, and biosecurity remain, proposed solutions promise a way forward in harnessing AI for experiment design. This shift from human-driven design to AI-assisted workflows, steered by high-level objectives, charts a potential future path in synthetic biology, envisioning an environment where complexities are managed more effectively.

59 BASIC BIOLOGICAL SCIENCES↗

Mechanical Characterization Study of Sintered Silver Pastes: Preprint

Sintered silver-based bonded interfaces are a critical enabling technology for high-temperature, compact, high-performance, and reliable wide-bandgap packages and components. High-pressure (about 40 MPa) sintered silver interfaces have been implemented commercially, most notably the commercial products offered by Semikron. To reduce manufacturing complexity, there is significant industry interest in pressure-less sintered silver interfaces. To this end, current formulations of sintered silver paste are comprised of purely nano-sized silver particles or a combination of nano- and micro-sized silver particles/flakes. It is essential to quantify the mechanical properties and determine the reliability of these interfaces prior to use in automotive power electronics applications. In this paper, research efforts at the National Renewable Energy Laboratory, in collaboration with Virginia Polytechnic Institute and State University and an industry partner, in optimizing the synthesis procedure and mechanical characterization of sintered silver double-lap samples are described. These double-lap samples were synthesized using pressure-less sintering techniques. Shear testing was conducted at multiple temperatures and displacement rates on these samples sintered using two types of sintered silver pastes, one of them consisting of nano-silver particles and the other a hybrid paste or a combination of nano- and micron-sized silver flakes, employed in a double-lap configuration. Maximum values of shear stress obtained from the characterization study are reported.

33 ADVANCED PROPULSION SYSTEMS↗

Mechanical Characterization Study of Sintered Silver Pastes Bonded in a Double-Lap Configuration

Sintered silver-based bonded interfaces are a critical enabling technology for high-temperature, compact, high-performance, and reliable wide-bandgap packages and components. High-pressure (~40 MPa) sintered silver interfaces have been implemented commercially, most notably the commercial products offered by Semikron. To reduce manufacturing complexity, there is significant industry interest in pressure-less sintered silver interfaces. To this end, current formulations of sintered silver paste are comprised of purely nano-sized silver particles or a combination of nano- and micro-sized silver particles/flakes. It is essential to quantify the mechanical properties and determine the reliability of these interfaces prior to use in automotive power electronics applications. In this paper, research efforts at the National Renewable Energy Laboratory, in collaboration with Virginia Polytechnic Institute and State University and an industry partner, in optimizing the synthesis procedure and mechanical characterization of sintered silver double-lap samples are described. These double-lap samples were synthesized using pressure-less sintering techniques. Shear testing was conducted at multiple temperatures and displacement rates on these samples sintered using two types of sintered sintered silver pastes, one of them consisting of nano-silver particles and the other a hybrid paste or a combination of nano- and micron-sized silver flakes, employed in a double-lap configuration. Maximum values of shear stress obtained from the characterization study are reported.

33 ADVANCED PROPULSION SYSTEMS↗

Mu2e transport solenoid prototype design and manufacturing

The Mu2e Transport Solenoid consists of 52 coils arranged in 27 coil modules that form the S-shaped cold mass. Each coil is wound from Al-stabilized NbTi superconductor. The coils are supported by an external structural aluminum shell machined from a forged billet. Most of the coil modules house two coils, with the axis of each coil oriented at an angle of approximately 5° with respect to each other. The coils are indirectly cooled with LHe circulating in tubes welded on the shell. In order to enhance the cooling capacity, pure aluminum sheets connect the inner bore of the coils to the cooling tubes. The coils are placed inside the shell by the means of a shrink-fit procedure. A full-size prototype, with all the features of the full assembly, was successfully manufactured in a collaboration between INFN Genova and Fermilab. In order to ensure an optimal mechanical prestress at the coil-shell interface, the coils are inserted into the shell through a shrink-fitting process. We present the details of the prototype with the design choices as validated by the structural analysis. In conclusion, the fabrication steps are described as well.

43 PARTICLE ACCELERATORS↗

PIPER: Performance Insight for Programmers and Exascale Runtimes: Guiding the Development of the Exascale Software Stack

The PIPER project set out to develop methodologies and software for measurement, analysis, attribution, and presentation of performance data for extreme-scale systems. Goals of the project were to support analysis of massive multi-scale parallelism, heterogeneous architectures, multi-faceted performance concerns, and to support both post-mortem performance analysis to identify program features that contribute to problematic performance and on-line performance analysis to drive adaptation. This final report summarizes the research and development activity at Rice University as part of the PIPER project. Producing a complete suite of performance tools for exascale platforms during the course of this project was impossible since both hardware and software for exascale systems is still a moving target. For that reason, the project focused broadly on the development of new techniques for measurement and analysis of performance on modern parallel architectures, enhancements to HPCToolkit’s software infrastructure to support our research goals or use on sophisticated applications, engaging developers of multithreaded runtimes to explore how support for tools should be integrated into their designs, engaging operating system developers with feature requests for enhanced monitoring support, engaging vendors with requests that they add hardware measure- ment capabilities and software interfaces needed by tools as they design new components of HPC platforms including processors, accelerators and networks, and finally collaborations with partners interested in using HPCToolkit to analyze and tune scalable parallel applications.

97 MATHEMATICS AND COMPUTING↗

Enhancement of Eye Tracking for Highly Dynamic Displays

Eye-Tracking and Sandia have established a collaborative arrangement whereby the two entities worked in a no-funds arrangement to study and share information about interface, software and algorithmic capabilities for dynamic, user-driven workflows. Sandia researchers developed the GazeAppraise algorithm for analysis of so-called “smooth pursuit” eye tracking datasets and used Eye Tracking, Inc’s experimental tasks and data to evaluate algorithmic performance. Although the results were quite positive, the partners ultimately decided it did not fit Eye Tracking’s market niche, and Sandia is pursuing opensource alternatives for disseminating the Gaze Appraise algorithms.

McNamara, Laura A.↗

Brochure for the DOE Office of Science Workshop on Envisioning Frontiers in AI and Computing for Biological Research

In February of 2025 a joint ASCR/BER workshop was held to identify key transformational research directions for understanding biology using artificial intelligence (AI), digital twins and high-performance (HPC) computational methods to facilitate scientific discovery and innovation in support of the Department of Energy mission. AI technologies offer exciting new groundbreaking methods to analyze large volumes of complex biological data, thereby greatly accelerating the ability to understand, predict, and design biological processes for beneficial purposes. In the laboratory, the bridging of AI-enabled automated experimental technologies, HPC and digital twins will provide potent tools for researchers to explore the fundamental nature of biology and harness its inherent metabolic potential for a variety of beneficial purposes. The focus of this workshop was on how high-performance computational methods can impact this objective by exploring digital twins, foundational models, and data-driven approaches with applications to advance automated laboratory experiments, modeling of complex living systems and engineering new functions into plants and microbial systems relevant to DOE mission. Workshop attendees with expertise in plant science, microbiology, mathematics, computer science, and AI assessed the current state of the science, trends, and AI challenges at the interface of plant and microbial systems biology and computational science to identify opportunities for high-impact research. This collaborative effort capitalized on ASCR's advancements in applied mathematics, computer science, and Exascale systems, and BER's expertise in basic genomics-enabled research on DOE relevant plant and microbial systems. The workshop culminated in four key priority research directions to guide future research and development within DOE Office of Science programs.

59 BASIC BIOLOGICAL SCIENCES↗

3rd harmonic magnetometry assessment of NbTiN-based SIS structures

In the quest for alternative superconducting materials to bring accelerator cavity performance beyond the bulk niobium (Nb) intrinsic limits, a promising concept proposes that superconductor-insulator-superconductor (SIS) thin film structures can delay magnetic flux penetration in accelerator cavities to higher fields [1]. NbTiN is a candidate superconductor for such structures. We have demonstrated high quality NbTiN and AlN deposited by reactive direct current magnetron sputtering (DCMS), both for individual layers and multilayers. Interface quality has been assessed for bi-layer stacks with various NbTiN and AlN thicknesses from 500 and 30 nm down to 3 and 1 nm. These SIS structures show continued sharp interfaces. The Hfp enhancement of the films was examined with 3rd harmonic magnetometry. The system was designed and built in an ongoing collaboration with CEA Saclay. It can measure 1? to 2? samples on a temperature controlled stage. This contribution presents the assessment of the first penetration field enhancement with 3rd harmonic magnetometry for standalone films and multilayer nanostructures.

Valente, Anne-Marie↗

Evaluating integration and performance of containerized climate applications on a Hewlett Packard Enterprise Cray system

Containers have taken over large swaths of cloud computing as the most convenient way of packaging and deploying applications. The features that containers offer for packaging and deploying applications translate to high performance computing (HPC) as well. At The National Oceanic and Atmospheric Administration, containers provide an easy way to build and distribute complex HPC applications, allowing faster collaboration, portability, and experiment computer environment reproducibility amongst the scientific community. The challenge arises when applications rely on message passing interface (MPI). This necessitates investigation into how to properly run these applications with their own unique requirements and produce performance on par with native runs. We investigate the MPI performance for benchmarks and containerized climate models for various containers covering selection of compiler and MPI library combinations from the Cray provided programming environments on the Cray XC supercomputer GAEA. Performance from the benchmarks and the climate models shows that for the most part containerized applications perform on par with the natively built applications when the system optimized Cray MPICH libraries are bound into the container, and the hybrid model containers have poor performance in comparison. We also describe several challenges and our solutions in running these containers, particularly challenges with heterogeneous jobs for the containerized model runs.

Abraham, Subil↗

JETSCAPE v1.0 Quickstart Guide

The JETSCAPE collaboration announced the first public release of its framework and Monte Carlo event generator at this conference, providing a unified interface and a comprehensive suite of model implementations for all stages of ultra-relativistic heavy ion collisions. This release focuses on validation of the framework and the pp reference. A full manual is under development. In the mean-time, these proceedings will provide a guide for installation and simulation runs in lieu of the more traditional summary of the presentation

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

CLMM : a LSST-DESC cluster weak lensing mass modeling library for cosmology

ABSTRACT We present the v1.0 release of CLMM, an open source python library for the estimation of the weak lensing masses of clusters of galaxies. CLMM is designed as a stand-alone toolkit of building blocks to enable end-to-end analysis pipeline validation for upcoming cluster cosmology analyses such as the ones that will be performed by the Vera C. Rubin Legacy Survey of Space and Time-Dark Energy Science Collaboration (LSST-DESC). Its purpose is to serve as a flexible, easy-to-install, and easy-to-use interface for both weak lensing simulators and observers and can be applied to real and mock data to study the systematics affecting weak lensing mass reconstruction. At the core of CLMM are routines to model the weak lensing shear signal given the underlying mass distribution of galaxy clusters and a set of data operations to prepare the corresponding data vectors. The theoretical predictions rely on existing software, used as backends in the code, that have been thoroughly tested and cross-checked. Combined theoretical predictions and data can be used to constrain the mass distribution of galaxy clusters as demonstrated in a suite of example Jupyter Notebooks shipped with the software and also available in the extensive online documentation.

79 ASTRONOMY AND ASTROPHYSICS↗

Theoretical investigations of single particle spectroscopies of novel materials

The project focused on three areas in the theoretical investigation of quantum materials. The first was novel magnetism in low dimensional systems, especially chiral magnetism and topological spin textures that can arise in thin films and at interfaces. The second related to high temperature superconductivity, and particularly on understanding puzzling features of quantum oscillations. The third related to collaborations with experimentalists on angle-resolved photoemission spectroscopy of high Tc superconductors and charge density wave materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗