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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 775 records · Page 43

R “SHINY” GUI DEVELOPMENT FOR URANIUM ISOTOPIC ANALYSIS WITH MATRIX-ASSISTED IONIZATION MASS SPECTROMETRY

The international nuclear safeguards community continues to seek rapid, accurate, and precise characterization capabilities for the in-field measurement of uranium isotopic compositions in nuclear facilities. Mass spectrometry (MS) is considered the “gold standard” for analysis of relatively long-lived actinides such as uranium (U) and plutonium; however, conventional MS analysis often requires time consuming sample preparation and complex analytical methodologies that are difficult to perform in-field or in-facility. Matrix assisted ionization (MAI) is a novel ambient ionization MS technique (i.e., MAI-MS) that potentially addresses these challenges due to the relative simplicity of the ionization phenomenon and ruggedness of ambient MS instrumentation. Savannah River National Laboratory (SRNL, USA) has demonstrated this technique for nanogram-level 235U/238U isotope ratio measurements within seconds, with percent-level analytical uncertainties capable of discriminating depleted, natural, and low-enriched uranium. Current experimental work on developing MAI methods for uranium isotopic analysis has been enabled by parallel development of a comprehensive MAI-MS data analysis suite at SRNL. Development of this bespoke data analysis software was necessary because commercially available ambient MS software is poorly suited for uranium isotope ratio measurement. The effort leverages the power of R, a popular open-source programming language, and Shiny, an R package providing tools for graphical user interface (GUI) and web interface coding. This software allows researchers without any programming experience to harness and utilize R’s considerable data analysis/visualization power.

LaBone, Elizabeth D.↗

Ten questions concerning reinforcement learning for building energy management

As buildings account for approximately 40% of global energy consumption and associated greenhouse gas emissions, their role in decarbonizing the power grid is crucial. The increased integration of variable energy sources, such as renewables, introduces uncertainties and unprecedented flexibilities, necessitating buildings to adapt their energy demand to enhance grid resiliency. Consequently, buildings must transition from passive energy consumers to active grid assets, providing demand flexibility and energy elasticity while maintaining occupant comfort and health. This fundamental shift demands advanced optimal control methods to manage escalating energy demand and avert power outages. Reinforcement learning (RL) emerges as a promising method to address these challenges. Here, in this paper, we explore ten questions related to the application of RL in buildings, specifically targeting flexible energy management. We consider the growing availability of data, advancements in machine learning algorithms, open-source tools, and the practical deployment aspects associated with software and hardware requirements. Our objective is to deliver a comprehensive introduction to RL, present an overview of existing research and accomplishments, underscore the challenges and opportunities, and propose potential future research directions to expedite the adoption of RL for building energy management.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

CMS Full Simulation for Run 3

We report the status of the CMS full simulation for Run 3. During the long shutdown of the LHC a significant update has been introduced to the CMS code for simulation. The CMS geometry description is reviewed. Several important modifications were needed. CMS detector description software is migrated to the DD4Hep community developed tool. We will report on our experience obtained during the process of this migration. Geant4 10.7 is the CMS choice for Run 3 simulation productions. We will discuss arguments for this choice, the strategy of adaptation of a new Geant4 version, and will report on the physics performance of the CMS simulation. A special Geant4 Physics List configuration FTFP_BERT_EMM will be described, which provides a compromise between simulation accuracy and CPU performance. A significant fraction of time for simulation of CMS events is spent on tracking of charged particles in a magnetic field. In the CMS simulation a dynamic choice of Geant4 parameters for tracking in field is implemented. A new method is introduced into simulation of electromagnetic components of hadronic showers in the electromagnetic calorimeter of CMS. For low-energy electrons and positrons a parametrization of GFlash type is applied. Results of tests of this method will be discussed. In summary, we expect about 25% speedup of the CMS simulation production for Run 3 compared to the Run 2 simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Net Zero Energy Model for Wastewater Treatment Plants

The primary objective of this study is to achieve net-zero energy (NZE) wastewater treatment plants (WWTPs) by utilizing energy efficiency opportunities (EEO), combined heat and power (CHP) systems, and other renewable energy (RE) sources, e.g., solar, water, and wind powers. Herein, this study discusses an innovative energy solution for WWTPs in the United States, and one of the WWTPs with a flow capacity of 1.5 million gallons per day (MGD) was selected as a case study. An optimization tool, Hybrid Optimization of Multiple Energy Resources (HOMER) software, is used in this study to find the best energy system configuration to run the system. An energy audit for one WWTP was conducted in early 2020 and the report is used to do this study. The proposed EEOs were able to reduce WWTP energy consumption by about 11%. The excess anaerobic digester gas was utilized in a CHP system to cover about 42% of the facility’s consumption. Also, 3% of the utility energy consumption can be claimed by microturbines in the aeration tanks. Another two renewable energy systems, solar photovoltaic (PV) with 29% and water turbines with 15%, contribute to covering 100% of the WWTP energy consumption and achieving an NZE WWTP.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Deployment Optimization Tool (DOT)

This tool was developed to assist in the design of in-place RF monitoring systems. This tool uses a brute force method to find the optimal location for RF receivers in a location of interest. This tool currently depends on the commercial Wireless InSite software from Remcom. Currently available to US Government users only.

Clark, Trevor↗

ERAD: A Graph-Based Tool for Energy Resilience Analysis of Electric Distribution Systems

Understanding the impact of extreme events on people's ability to access energy is crucial for designing resilient energy systems. In the event of a disaster, damage to the electric system and related infrastructure (e.g., downed power lines, flooded equipment, hacked communication systems, damaged roads, etc.) can impact people's access to critical services, including not just electricity but also shelter, food, healthcare, and more. There is a key need to understand such impacts better and evaluate options to improve energy resilience. The Energy Resilience Analysis for Electric Distribution Systems (ERAD) tool is a free and open-source software package designed to help researchers and decision-makers analyze and improve energy system resilience.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Primer on Organizational Use of Energy Management and Information Systems (EMIS), Second edition

The document provides a high-level overview of Energy Management and Information Systems (EMIS), which are combined hardware and software products that comprise a broad family of tools and services to manage commercial building energy use. It provides a common reference that can be used to understand key distinguishing factors and core attributes of different solutions within the family of EMIS technologies. This is a 2021 update to the original 2015 edition.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Autonomous Discovery in Science and Engineering

The Center for Advanced Mathematics for Energy Research Applications (CAMERA) is an integrated, cross-disciplinary center aimed at inventing, developing, and delivering the fundamental new mathematics required to capitalize on experimental investigations at scientific facilities. Jointly funded by the Office of Advanced Scientific Computing Research (ASCR) and the Office of Basic Energy Sciences (BES) within the US Department of Energy’s Office of Science, CAMERA identifies areas in experimental science that can be aided by new mathematical insights, develops the needed algorithmic tools, and delivers them as user-friendly software to the experimental community.

97 MATHEMATICS AND COMPUTING↗

Safety Applications Project FY20-21 Highlights, FY2022 Goals [Slides]

Collaborations leverage the investment and expertise of others. Code capabilities determine the questions that can be addressed using SAP tools. Infrastructure acts as a force multiplier for software developer skills. Improved code performance allows simulations to finish faster or with greater fidelity. Code performance has dramatically improved over the past ~4 years.

42 ENGINEERING↗

Safety Applications Project FY18-19 Highlights, FY2020 Goals [Slides]

Collaborations leverage the investment and expertise of others. Code capabilities determine the questions that can be addressed using SAP tools. Infrastructure acts as a force multiplier for software developer skills. Improved code performance allows simulations to finish faster or with greater fidelity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Apex Study: Compensating Transient Beam Loading in the RHIC 28 MHZ

With the EIC on the way, it is important that developments and strategies are in place to deal with the very high beam currents that the machine will feature. Specifically, the EIC will collide beams of up to 2.5 A, three times the beam current in RHIC. This higher beam current will cause significant voltage transients in the cavity fields which can lead to longitudinal instabilities and beam loss. In anticipation of these negative effects, studies were carried out on the RHIC 28 MHz cavities using newly developed firmware and software to diagnose and combat beam loading. Diagnostic tools such as the bunch-by-bunch (BbyB) ADC firmware and digital network analyzer (DNA) were used to characterize the closed loop system and transient on the cavity voltage magnitude and phase. Then, a one-turn delay feedback (OTFB) and adaptive feed-forward (aFFWD) were used to minimize the transient beam loading. The studies were carried out with beam during 2 accelerator physics experiements (APEXs) using one of the 28 MHz accelerating cavities here at RHIC.

43 PARTICLE ACCELERATORS↗

Vitis CI/CD & Containerization

Modern development flows that use tooling for automated building, testing, and deployment of software are becoming the norm for large scale software and hardware projects. These flows offer quite a few advantages that make them desirable, but when attempting to implement them for projects that use FPGAs, some complications can arise when attempting to integrate them with traditional FPGA toolchains and deployment workflows. In this poster, we present early our early efforts integrating the Vitis FPGA toolchain into a modern, Kuberentes and Github actions based CI/CD pipeline.

Hawks, Benjamin G. [Fermilab]↗

WOMBAT Tutorial

This workshop will provide a comprehensive overview to Windfarm Operations and Maintenance cost-Benefit Analysis Tool (WOMBAT), NREL's first wind O&M software model. The session will discuss how to utilize WOMBAT to answer O&M research questions covering land-based, offshore, and distributed wind farms. It will offer an introduction to the model and how it operates. The team will then offer a demonstration of the various modeling parameters by converting the CORE Wind Floating Wind Strategies O&M Assessment assumptions into an analysis-ready configuration, diving into the results, and exploring further model variations.

discrete event simulation↗

Physics demonstration and verification of MOOSE framework reactor module meshing capabilities

The recently developed Reactor module in the open-source MOOSE framework includes finite element meshing capabilities for analysis of common reactor geometries. Capabilities in the Reactor module have been employed to generate meshes for physics applications including a sodium-cooled fast reactor core analysis using Griffin, a fast reactor assembly thermal deformation analysis using MOOSE Tensor Mechanics, and a heat-pipe cooled microreactor coupled analysis using Griffin, Bison, and Sockeye. The process to build these meshes using MOOSE's meshing capabilities is described. Physics simulation results using MOOSE-based meshes have been verified to match results which leverage external meshing software such as Cubit or Argonne's Mesh Tools. MOOSE's Reactor module provides significant advantages compared to the use of external meshing tools when analyzing Cartesian and hexagonal reactor lattices using MOOSE-based applications: accessibility to the end user, low barrier to entry for new users, speed of mesh generation, volume preservation of meshed fuel pins, and simplification of analysis workflow when using MOOSE applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

ORNL Package Testing Program Software Quality Assurance Plan

The Oak Ridge National Laboratory (ORNL) Package Testing Program (PTP) uses commercial off-the-shelf (COTS) software in performing data collection of thermal test results for package designs that contain radioactive materials. Specifically, this software is used to collect temperature data from the furnace, packages, and ambient air to prepare and execute the thermal test specified in 10 CFR 71.73, “Thermal Test.” This software quality assurance (SQA) plan sets forth the guidelines, standards, and procedures that shall be used to provide SQA for PTP software applications. This is a living document that will be maintained for the lifecycle of the PTP program. The SQA plan follows the requirements set forth in ORNL Standards Based Management System (SBMS): Information Technology; Subject Area: Software Quality Assurance. When applicable to the requirements as described in ORNL SBMS, Software Quality Assurance, the software shall be listed in the ORNL Software Registration System (SRS). Exemptions to this SBMS are COTS and firmware that are not modified; spreadsheet applications and personal productivity tools that do not have a utility or safety application, research applications, legacy software, system software, vendor-supplied software used to interface with the vendor’s services, software used within the organization to facilitate processing or management of information, and software developed for applications not specific to the US Department of Energy (DOE).

97 MATHEMATICS AND COMPUTING↗

Host Onboarding Tool (HObT) v1.0.0

The Host OnBoarding Tool (Hobt) is a publicly accessible, web-based software designed to organize and share information about microbial hosts under development at the Agile BioFoundry (ABF). It streamlines the assessment, tracking, and sharing of information related to microbial host development and provides a centralized platform where users can rapidly evaluate hosts' readiness for various bio processes. HObT leverages the Tier System, a standardized host development framework that organizes and assesses microbial hosts based on their readiness for biomanufacturing. Each tier outlines key targets—including genetic tools, growth conditions, omics data, and predictive models—needed to transform new or emerging microbes into established production platforms. By applying clear criteria for advancement, the Tier System helps users quickly evaluate each organism's current development status, identify gaps in available knowledge or tools, and prioritize future strain improvement efforts. Through its user-friendly interface, HObT encourages contributions of new data and insights from researchers, fostering collaboration and accelerating host development. By providing structured guidance for microbial strain advancement, HObT and the Tier System support more systematic, rapid, and cost-effective development of non-traditional microbial hosts, ultimately enhancing the efficiency and impact of biomanufacturing research and applications.

Plahar, Hector [Lawrence Berkeley National Laborat↗

More Tools for Visualization and Analysis of Small-Angle Neutron Scattering Data: Descriptions and Examples

With the adoption of drtsans as the data reduction software for the GP-SANS, Bio-SANS and EQ-SANS instruments at ORNL, tools for data visualization and analysis that can be integrated into drtsans scripts are needed to further improve the user experience. New tools that do not need to be incorporated directly into data reduction scripts can also positively impact users during their experiments. In this report, a new set of tools is presented that complements the previous set released. The set includes tools for both fitting data and for visualizing data.

42 ENGINEERING↗

S4PST: Sustainability for Programming Systems and Tools: May Workshop Report

The US Department of Energy (DOE) Exascale Computing Project (ECP) has fostered and strengthened the use of modern software engineering practices for developing applications and libraries, and this effort has resulted in the coordinated and interoperable E4S1 and xSDK2 ecosystems. Although this approach is cost-effective, it relies on robust programming systems and tools (PST) as the underlying foundation for our HPC software. At present, our primary PST stack consists of traditional high-performance computing (HPC) languages, namely Fortran, C, C++, and the popular Python language for data analysis and AI workflows. These languages support various programming frameworks and run-time abstractions that enable parallelism and concurrency across multiple node architectures and thousands of nodes through a variety of interconnect systems. However, to accommodate users’ diverse needs, certain aspects of the HPC ecosystem are delegated to vendor-specific or third-party implementations that extend beyond a particular scientific domain. This broader scope results in a multitude of specifications and variations, which leads to a complex orchestration of many-ecosystems. Unfortunately, this complexity in the ecosystem imposes additional overhead costs on consumers during the latter stages of the development cycle. In addition to the software ecosystem challenge, the upcoming conclusion of the ECP by December 2023 has raised significant concerns within the HPC programming systems community, from both the economic and social perspectives. The ECP has implemented a management structure for software development and funding decisions across all ECP participants by following a conventional hierarchical and centralized approach. However, this structure has prompted certain considerations within the community, particularly in anticipation of the Software Sustainability initiative by the DOE’s Advanced Scientific Computing Research Program (ASCR). For the success of this new initiative, it is of utmost importance to secure consistent funding and foster close engagement with researchers and core developers of existing programming-system products. This collaboration is vital to maintaining the critical capabilities of the current software during the transition phase while proactively adapting to future technology and workforce trends. The community recognizes the significance of adapting to emerging trends and is aware of the inherent fragility of the HPC software ecosystem, particularly in relation to programming systems that cater to all users. The ability to adapt and evolve is essential to staying relevant and effectively addressing these technical, economic, and social challenges. The S4PST team, which represents one of the six ASCR Software Sustainability seedling projects, is dedicated to tackling these challenges through community-based approaches that go beyond the scope of the DOE. This involves collaboration between national laboratories with academia, non-DOE institutions, hardware and system vendors, and international partners. By fostering these partnerships, we aim to create a robust and sustainable HPC software ecosystem that can effectively meet the needs of the community. This new community effort, driven by the eight DOE labs, will take on the responsibility of guiding funding decisions for programming-systems development and maintenance with transparency and consistency across all decisions. Additionally, the team will offer common technical services to the programming systems community, irrespective of their funding situations, and facilitate community-wide incubation to proactively nurture the software ecosystem. By actively engaging with stakeholders and employing a collaborative approach, we can collectively shape the future of programming systems and ensure a robust and thriving HPC software landscape. On May 11–12, 2023, the S4PST team conducted its inaugural kick-off workshop at the Innovative Computing Laboratory (ICL) in the University of Tennessee, Knoxville, hosted by Hartwig Anzt. The workshop encompassed various sessions dedicated to presentations and discussions, with the aim of comprehending the team members’ perspectives on the vision of software sustainability. Additionally, the workshop aimed to identify the technical, economic, and social requirements for sustaining the programming-systems community in the field of HPC. This report provides a summary of the S4PST effort by highlighting five major thrust areas discussed during the workshop: (i) community, (ii) technical support, (iii) training and diversity, (iv) verification, validation and correctness, and (v) emerging technologies. It also encompasses an overview of the presentations and discussions held throughout the event, our views and potential synergies with other seedling efforts, along with the outcomes and key takeaways from our initial discussions.

97 MATHEMATICS AND COMPUTING↗