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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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Flexible Integration of Diverse HVAC Technologies in EnergyPlus via Python-Enabled Workflows

Analysis of advanced controls and novel system types is often not directly feasible in building energy simulation tools. Various techniques extend building energy simulation tool capabilities to allow the use of user-defined scripts and programs, but these approaches have limitations. The EnergyPlus Python plugin offers users new flexibility to use EnergyPlus to call an external Python module at specific points in the simulation, as well as to use Python to call EnergyPlus functionality through an application programming interface (API). This paper presents four case studies leveraging the EnergyPlus Python plugin to facilitate analysis of advanced controls and system types. The use of the Python plugin offers greater modularity and flexibility relative to previous approaches, is less error prone, and is simpler for users to adopt. The Python plugin allows EnergyPlus to be used in a more flexible manner and to accommodate the expanding realm of energy modeling applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Forte: A suite of advanced multireference quantum chemistry methods

Software development plays a critical role in advancing quantum chemistry, enabling the exploration of new fundamental theoretical ideas and modeling systems of ever-increasing complexity. In the past decade, the availability of quantum chemistry packages that use modular designs and provide application programming interfaces (APIs) has enabled the creation of specialized software plugins, enhancing the capabilities of the original codes. Here, the availability of well-documented APIs is particularly beneficial in the context of academic scientific software development because it reduces the entry barrier for new developers and shields them from the complexities of large software projects.

74 ATOMIC AND MOLECULAR PHYSICS↗

Multiphysics modeling of accelerators through code integration

This work aims to improve the ability of particle accelerator researchers to develop high-performance accelerator cavity designs by creating an overall multiphysics framework that integrates and couples existing application codes. This framework will allow accelerator researchers to build multiphysics models that will optimize cavity design, improve understanding of whole-device performance, and reduce the development and fabrication costs of accelerator research. We utilize the open-source VizSchema data standard as an intermediate data structure interface layer to standardize interfaces between individual application codes. VizScema is extensively documented online, and plugins for VizSchema are available for popular visualization packages, including VisIt and ParaView. Currently, the work focuses on coupling the EM field solver COMSOL and the electron gun code MICHELLE to allow COMSOL field-solve results to be seamlessly used by MICHELLE for particle-solve. Later work will extend this integration to include other fields, particles, and thermodynamics simulation codes.

43 PARTICLE ACCELERATORS↗

Lightfall v0.0.1

Lightfall is a desktop application for synchrotron beamline instrument control, data acquisition, and live analysis at the Advanced Light Source (ALS). Built on Python and Qt, it provides a native graphical interface for operating beamline hardware, configuring and executing experimental scans, and visualizing results in real time. Key features include direct integration with EPICS control systems, a built-in electronic logbook, remote beamline access over secure tunnels, and an interprocess communication (IPC) architecture that coordinates with external analysis applications via ZMQ and EPICS process variables. This IPC approach allows Lightfall to orchestrate specialized analysis tools—including GPU-accelerated streaming correlators—without embedding them, avoiding the dependency conflicts common in monolithic scientific software platforms. Compared to prior approaches such as Xi-CAM's plugin-based architecture, Lightfall's design cleanly separates instrument control from domain-specific analysis, enabling feedback-driven acquisition where live analysis results can adjust scan parameters during an experiment. Its native Qt interface provides responsive performance for real-time data visualization that web-based alternatives struggle to match. Lightfall is designed for use by beamline scientists and staff operating synchrotron instruments at national user facilities.

Pandolfi, Ronald [Lawrence Berkeley National Labor↗

Enhancements and Deployment of the TDAQ System for the Mu2e Experiment

The Real Time Processing Systems Division at Fermilab has deployed new features to the Off-The-Shelf Data Acquisition framework (otsdaq) for the Mu2e experiment. The Mu2e experiment will search for the coherent neutrino-less conversion of a muon into an electron in the field of an aluminum nucleus with a sensitivity improvement of 10,000 times over existing limits. Such a charged lepton flavor-violating reaction probes new physics at a scale unavailable at present or planned high-energy colliders. The Mu2e Trigger and Data Acquisition (TDAQ) system uses otsdaq as its online Data Acquisition System (DAQ) framework. otsdaq integrates the artdaq and art frameworks for event transfer, filtering, and processing. otsdaq is a web-based DAQ software suite focusing on flexibility and scalability and provides a multi-user interface accessible through a web browser. artdaq handles the entire data stream, which is read over the peripheral component interconnect express (PCIe) bus to a software filter algorithm that selects events combined with the data flux coming from a cosmic-ray veto (CRV) system. Detector front-ends are configured through the PCIe bus by customized otsdaq plugins. The otsdaq slow controls infrastructure has been further developed using the experimental physics and industrial control system (EPICS) open-source platform for monitoring, controlling, alarming, and archiving. The detector control system (DCS) for Mu2e has been integrated into otsdaq. The production TDAQ and DCS system has been deployed at the experimental hall and is being debugged and optimized for experiment operations. We report on the feature enhancements and deployment of otsdaq for Mu2e.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Distribution Substation Planning Toolkit (dsp-toolkit) v1.0

The Distribution Substation Planning Toolkit (DSP Toolkit) is a software suite designed to streamline the planning and optimization of distribution substations. This toolkit offers a comprehensive set of tools and APIs for data curation, short-term electric load forecasting, and weather-sensitive load adjustment, making it an essential resource for utility companies, engineers, and researchers. Features • Data Preprocessing and Curation: Efficiently manage and preprocess large datasets to ensure high-quality input for analysis. • Short-Term Load Forecasting: Utilize data-driven models to predict short-term electric loads accurately. • Weather-Sensitive Modeling: Automatically adjust load forecasts based on weather data to predict future peak demands more precisely. Uses The DSP Toolkit is ideal for planning and optimizing distribution substations, providing a user-friendly interface and comprehensive documentation. It is suitable for both novice and experienced users, facilitating efficient and accurate planning processes. Advantages • Efficiency: Automates complex planning tasks, reducing manual effort and minimizing errors. • Scalability: Handles large datasets and complex models, making it suitable for large-scale projects. • Community and Support: Open-source with active community contributions, ensuring continuous improvement and support. • Extensibility: Easily extendable with custom modules and plugins, allowing users to tailor the toolkit to their specific needs. The DSP Toolkit stands out by offering a robust, flexible, and user-friendly solution for distribution substation planning. Public Abstract

Li, Han [Lawrence Berkeley National Laboratory (LB↗

Datum: A Scientific Metadata Catalog

The data catalog market is currently flooded with a myriad of different products, but none serve the scientific community well. There are cloud-native tools like Databricks, Snowflake,to on-premise solutions like Collibra and Datahub. The common failing of all these tools however, is their inability to serve the scientific data community directly. Most catalogs are targeted towards financial, health, or user data - not sensor or scientific domain data. They also prioritize integrations that often don’t exist or are just starting to be used in the scientific realm - all while ignoring common scientific tools and file types. Datum is a catalog which targets the scientific data directly, including the tools and networks in which those tools are used. We work with the producers and consumers of the data where they are, targeting cloud and on-premise with a focus on classified networks. Datum is an Erlang/Elixir application. Technical Features Note: The features listed below are still under development and may change, slightly, upon final delivery of the product. File Formats - Datum has the ability to read additional metadata and provides processing pipelines for the following file formats: Plain Text, PDF, LaTeX, HTML, Open Document Format (.odt), XML, CSV/TSV (and other standard delimiters), OpenDocument Database and Spreadsheets, Geo-Referenced TIFF, Common Data Format, HDF/HDF5, LabView TDMS, Excel, DeltaTables, Parquet, Apache Iceberg, Apache Hudi and many others. Metadata Collection - Scanners for the local and networked file systems and cloud storage providers. Network integration with common databases such as MSSQL and MySQL. User Plugin System - Users are able to provide either file processing, metadata extraction, or sampling plugins in the programming language of their choice. Authentication/Authorization -: OIDC integration, SCIM provisioning and EntraID integration out of the box. Full user and group management system with a “least privilege” operating mode. Governance - Customizable data governance platform; dictate and enforce required metadata, enforce data embargos, and enforce user agreements and NDAs before data access. Ability to create health checks on data, rejecting abandoned or poorly curated data and automatically removing it from the search index. Ability for users to submit corrections. Search - Semantic search is a first class citizen. No licenses to expensive, external software required. Integrated use of vectors and vector-based search allows for AI agent integration at all levels of operation. Metadata Model - Display and control data’s lineage and connections to other data and data directories. Data is modeled after a filesystem - an organization instantly recognizable and navigable by most any user. CLI and SDK - Ships with a Command Line Interface (CLI) tool and with a fully-featured Python SDK. This allows for rapid and programmatic use of Datum by every level of user. Minimal Infrastructure - Datum ships as a single executable file and can be run on any operating system and most CPU architectures. Datum has no reliance on external databases, search indexing tools, or other outside services - and it runs equally well on edge computing devices, cloud services, or in a clustered HPC environment.

darrington, john↗