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DOE OSTI2026

geoPFA: A Python-Based Open-Source Software for 3D Geothermal PFA

This work presents a novel Python-based framework, geoPFA, for conducting 3D play fairway analysis (PFA) tailored to superhot geothermal systems. The workflow has been applied to the Nesjavellir field in Iceland, a candidate site for the third Iceland Deep Drilling Project's superhot production scenarios. This application demonstrates the value of modular, transparent, and extensible workflows for integrating geological, geophysical, and simulation-derived datasets in high-enthalpy environments. Preliminary results indicate favorable zones consistent with known hydrothermal activity. The geoPFA library will soon be publicly available, offering a scalable and reproducible approach to geothermal exploration across varied geological contexts.

15 GEOTHERMAL ENERGY↗

DOE OSTI2026

Modernizing GlideinWMS Factory Monitoring with Prometheus & Grafana

Large-scale scientific experiments like CMS and DUNE rely on the distributed workload management system GlideinWMS to efficiently utilize computing resources across heterogeneous computing environments. GlideinWMS currently records Factory statistics using Round Robin Databases (RRDBs), XML, and JSON files, and these statistics are displayed via custom monitoring Web pages, thereby limiting integration with modern observability platforms. This project investigates the use of Prometheus-based instrumentation to expose Factory metrics using OpenTelemetry principles. Factory statistics related to Glidein submission and job execution are exported as Prometheus metrics through the Prometheus Python Client Library and are served via an HTTP metrics endpoint. The collected metrics are inspected using the Prometheus web-based interface and are visualized through Grafana dashboards within the Landscape monitoring infrastructure at Fermilab. This project significantly streamlines the integration of modern monitoring technologies into GlideinWMS and establishes a framework for extending observability across additional system components.

Appiah, Gideon [Grambling State U.]↗

DOE OSTI2025

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↗

NASA NTRS2016

Intern Abstract for Spring 2016

The Human Interface Branch - EV3 - is evaluating Organic lighting-emitting diodes (OLEDs) as an upgrade for current displays on future spacecraft. OLEDs have many advantages over current displays. Conventional displays require constant backlighting which draws a lot of power, but with OLEDs they generate light themselves. OLEDs are lighter, and weight is always a concern with space launches. OLEDs also grant greater viewing angles. OLEDs have been in the commercial market for almost ten years now. What is not known is how they will perform in a space-like environment; specifically deep space far away from the Earth's magnetosphere. In this environment, the OLEDs can be expected to experience vacuum and galactic radiation. The intern's responsibility has been to prepare the OLED for a battery of tests. Unfortunately, it will not be ready for testing at the end of the internship. That being said much progress has been made: a) Developed procedures to safely disassemble the tablet. b) Inventoried and identified critical electronic components. c) 3D printed a testing apparatus. d) Wrote software in Python that will test the OLED screen while being radiated. e) Built circuits to restart the tablet and the test pattern, and ensure it doesn't fall asleep during radiation testing. f) Built enclosure that will house all of the electronics Also, the intern has been working on a way to take messages from a simulated Caution and Warnings system, process said messages into packets, send audio packets to a multicast address that audio boxes are listening to, and output spoken audio. Currently, Cautions and Warnings use a tone to alert crew members of a situation, and then crew members have to read through their checklists to determine what the tone means. In urgent situations, EV3 wants to deliver concise and specific alerts to the crew to facilitate any mitigation efforts on their part. Significant progress was made on this project: a) Open channel with the simulated Caution and Warning system to acquire messages. b) Configure audio boxes. c) Grab pre-recorded audio files. d) Packetize the audio stream. A third project that was assigned to implement LED indicator modules for an Omnibus project. The Omnibus project is investigating better ways designing lighting for the interior of spacecraft-both spacecraft lighting and avionics box status lighting indication. The current scheme contains too much of the blue light spectrum that disrupts the sleep cycle. The LED indicator modules are to simulate the indicators running on a spacecraft. Lighting data will be gathered by human factors personal and use in a model underdevelopment to model spacecraft lighting. Significant progress was made on this project: Designed circuit layout a) Tested LEDs at LETF. b) Created GUI for the indicators. c) Created code for the Arduino to run that will illuminate the indicator modules.

Gibson, William↗

DOE OSTI2025

Real-World Cyber Security Demonstration for Networked Electric Drives

In this article, we present the design and implementation of a cyber-physical security testbed for networked electric drive systems, aimed at conducting real-world security demonstrations. To our knowledge, this is one of the first security testbeds for networked electric drives, seamlessly integrating the domains of power electronics and computer science, and cybersecurity. By doing so, the testbed offers a comprehensive platform to explore and understand the intricate and often complex interactions between cyber and physical systems. The core of our testbed consists of four electric machine drives, meticulously configured to emulate small-scale but realistic information technology (IT) and operational technology (OT) networks. This setup both provides a controlled environment for simulating a wide array of cyber-attacks, and mirrors potential real-world attack scenarios with a high degree of fidelity. The testbed serves as an invaluable resource for the study of cyber-physical security, offering a practical and dynamic platform for testing and validating cybersecurity measures in the context of networked electric drive systems. As a concrete example of the testbed's capabilities, we have developed and implemented a Python-based script designed to execute step-stone attacks over a wireless local area network (WLAN). This script leverages a sequence of target IP addresses, simulating a real-world attack vector that could be exploited by adversaries. To counteract such threats, we demonstrate the efficacy of our developed cyber-attack detection algorithms, which are integral to our testbed's security framework. Furthermore, the testbed incorporates a real-time visualization system using InfluxDB and Grafana, providing a dynamic and interactive representation of networked electric drives and their associated security monitoring mechanisms. This visualization component not only enhances the testbed's usability but also offers insightful, real-time data for researchers and practitioners, thereby facilitating a deeper understanding of cyber-physical security dynamics in networked electric drive systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments

In this work, we introduce an efficient method, TTN-HEOM, for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme with the bexcitonic generalization of the numerically exact hierarchical equations of motion (HEOM). The method yields a series of quantum master equations for all core tensors in the TTN that efficiently and accurately capture the open quantum dynamics for non-Markovian environments to all orders in the system–bath interaction. These master equations are constructed based on the time-dependent Dirac–Frenkel variational principle, which isolates the optimal dynamics for the core tensors given the TTN ansatz. The dynamics converges to the HEOM when increasing the rank of the core tensors, a limit in which the TTN ansatz becomes exact. We introduce TENSO, tensor equations for non-Markovian structured open systems, as a general-purpose Python code to propagate the TTN-HEOM dynamics. We implement three general propagators for the coupled master equations: two fixed-rank methods that require a constant memory footprint during the dynamics and one adaptive-rank method with a variable memory footprint controlled by the target level of computational error. We exemplify the utility of these methods by simulating a two-level system coupled to a structured bath containing one Drude–Lorentz component and eight Brownian oscillators, which is beyond what can presently be computed using the standard HEOM. Our results show that the TTN-HEOM is capable of simulating both dephasing and relaxation dynamics of driven quantum systems interacting with structured baths, even those of chemical complexity, with an affordable computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2021

Noise Exposure Map of Urban Air Mobility

A noise exposure map is “a scaled geographic depiction of an airport, its noise exposure contours, noise-sensitive facilities, and land uses in the airport surrounding area” developed in accordance with the FAA’s 14 Code of Federal Regulation Part 150. This paper is the first to explore the applicability of airport noise exposure maps to Urban Air Mobility (UAM). The FAA’s airport noise compatibility planning program is first described. Then the applicability of the noise exposure map to Urban Air Mobility (UAM) is explored. Finally, new airspace infrastructure, including vertiport locations and UAM routes from NASA’s UAM engineering simulations, and local noise-sensitive facility locations and land use information were collected and processed to develop the noise exposure maps of UAM near the Dallas-Fort Worth area. The DNL noise contours resulting from a six-passenger electric quadrotor prototype vehicle are predicted using NASA’s AIRNOISEUAM software. The noise exposure maps of UAM are generated automatically using Python’s data analysis and visualization libraries. The results have applications for UAM’s noise compatibility planning, noise-reducing route planning, and vertiport location selection. (To hear the voice please utilize the video uploaded to the record)

Urban Air Mobility↗

DOE OSTI2024

Decoherence Noise on the Superconducting Qubits Training Program

Quantum computing is a growing field with promising applications in a variety of fields such as healthcare, energy consumption, and cryptography. Quantum computing leverages the principles of quantum mechanics - superposition and entanglement. Yet, in the Noisy Intermediate Scale Quantum (NISQ) Era - quantum systems face the major challenge of decoherence due to noise. This era is characterized by low amounts of qubits and high gate error. Decoherence leads to the loss of the quantum information stored in the qubit. Noise occurs with any quantum system that is exposed to the environment. It should also be noted that quantum information can be stored in the cavity - Fermilab specializes in coupling transmons to ultrahigh-Q SRF cavities. The Superconducting Qubits Training Program (SQTP) provides a visualization for beginners in quantum computing. The open quantum system simulated is a superconducting qubit (two-level atom) coupled to a microwave cavity whose excitations are photons. The Rotating Wave Approximation of the Jaynes-Cumming Hamiltonian is used. SQTP utilizes open-source Python-based libraries scQubits, NumPy, and QuTiP alongside the Master Lindblad equation. In this project, we study the different decay behaviors of qubits and cavities with collapse operators.

Lopez, Sara↗

DOE OSTI2025

OpenSn: A massively parallel, open-source simulation environment for discrete ordinates radiation transport

OpenSn is an open-source, massively parallel deterministic radiation transport code for solving the discrete-ordinates ( S N ) form of the Boltzmann transport equation on unstructured, arbitrary polyhedral meshes. It supports high-fidelity simulations involving steady-state, eigenvalue, and adjoint problems for neutral particles (e.g., neutrons, photons, multi-particles), using the multigroup approximation in energy. OpenSn combines angular discretization via discrete ordinates with a discontinuous Galerkin finite element method (DGFEM) in space, enabling accurate resolution of transport physics on arbitrary polyhedral cells, included locally refined spatial grids. It includes multiple angular quadrature types, including locally refined angular quadratures. Written in modern C++ with a Python API, OpenSn runs efficiently on platforms ranging from laptops to supercomputers. The transport sweep algorithm is implemented using a task-based, directed-acyclic-graph (DAG) approach for each angle and supports asynchronous parallelism across thousands of MPI ranks. Group-set aggregation improves compute intensity, and synthetic acceleration techniques (e.g., diffusion synthetic acceleration, second-moment method) enhance solver convergence. OpenSn has been verified on reactor physics problems and demonstrated excellent weak and strong scaling performance on more than 32,768 processes, making it a versatile and robust platform for large-scale transport simulations in complex geometries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

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↗

DOE OSTI2025

MOOSE Web Server Interface: A Message-based External Interface for Multiphysics Simulations

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a C++ toolkit designed to streamline the development of finite element and finite volume applications. It offers an interface for input-based coupling of these applications to create multiscale, multiphysics models. We introduce a new capability that enables external applications to integrate with MOOSE-based applications in situ via a web server using HTTP requests. An example of this integration is provided, where a MOOSE thermal-fluids solve has a boundary condition that is driven by an external Python application. Additionally, the coupling of the Python-based OpenMC depletion solver with the Cardinal application is demonstrated. A multiphysics model of a pressurized water reactor, incorporating neutronics, heat conduction, thermal-fluids, and depletion, is presented to showcase this new Cardinal capability that is enabled by the MOOSE web server capability.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

MOOSE Web Server Interface: A Message-based External Interface for Multiphysics Simulations

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Dimensionally Aligned Signal Projection Algorithms Library

Dimensionally aligned signal projection (DASP) algorithms are used to analyze fast Fourier transforms (FFTs) and generate visualizations that help focus on the harmonics for specific signals. At a high level, these algorithms extract the FFT segments around each harmonic frequency center, and then align them in equally sized arrays ordered by increasing distance from the base frequency. This allows for a focused view of the harmonic frequencies, which, among other use cases, can enable machine learning algorithms to more easily identify salient patterns. This work seeks to provide an effective open-source implementation of the DASP algorithms proposed by Vann et al. (2018) as well as functionality to help explore and test how these algorithms work with an interactive dashboard and signal-generation tool. The DASP library is implemented in Python and contains four types of algorithms for implementing these feature engineering techniques: fixed harmonically aligned signal projection (HASP), decimating HASP, interpolating HASP, and frequency aligned signal projection (FASP). Each algorithm returns a numerical array, which can be visualized as an image. The HASP algorithms are variations of the algorithms originally presented by Vann et al. (2018). For consistency, FASP, which is the terminology used for the short-time Fourier transform (STFT), has been implemented as part of the library to provide a similar interface to the STFT of the raw signal. Additionally, the library contains an algorithm to generate artificial signals with basic customizations such as the base frequency, sample rate, duration, number of harmonics, noise, and number of signals. Finally, the library provides multiple interactive visualizations, each of which is implemented using IPyWidgets and works in a Jupyter environment. A dashboard-style visualization is provided, which contains some common signal-processing visual components (signal, FFT, spectogram) updating in unison with the HASP functions (see Figure 1 below). Separate from the dashboard, an independent visualization is provided for each of the DASP algorithms as well as for the artifical signal generator. These visualizations are included in the library to aid in developing an intuitive understanding how the algorithms are affected by different input signals and parameter selections.

harmonics↗

NASA NTRS2016

A Model Based Systems Engineering Approach Towards Developing a Rapid Analysis and Trades Environment

In this work, an integrated and end-to-end modeling environment was developed to assess the system-level impacts of evolving requirements and design parameters. Researchers at the Georgia Institute of Technology's Aerospace Systems Design Laboratory (ASDL) collaborated with JPL engineers to develop, implement, and test a modeling environment to assess design changes to a notional Europa Mission called the Jupiter Europa Buzzer (JEB). This environment was developed using a Model-Based Systems Engineering (MBSE) approach and consists of three major components: the Systems Model, the Mission Simulator, and the Web Based Interactive Dashboard. In summary, utilizing this environment in a representative notional end-to-end scenario, performance margins were calculated in hours while maintaining consistent analytical, hardware, and operational assumptions.

Model Based System Engineering↗

DOE OSTI2026

pyFLANK, a graph neural network based null distribution inference model for F ST outlier detection

Detecting genomic regions under selection is essential for understanding how populations adapt to different environments, yet it remains challenging due to the confounding effects of demographic history and linkage disequilibrium (LD). Fixation index (F ST ) is a widely used statistic to identify genomic regions under adaptation. However, identifying genes under selection by defining F ST outliers often remains challenging, owing to confounding effects of underlying demographic history. Traditional methods assume independence among loci and rely on simple demographic models, while newer models perform much better but are computationally expensive and not easily scalable. Here, we present pyFLANK, an open-source and automated Python implementation which detects F ST outliers using a null distribution inferred from quasi-independent loci. Our tool integrates three approaches to identify loci obeying a null distribution: graph neural network (GNN) inference, linkage disequilibrium (LD)-based inference, and user-defined input. Because pyFLANK uses GNN-based inference of quasi-independent loci, it yields a more accurate null model with less need for user parameter input. In simulation experiments, pyFLANK achieved lower false positive rates than current methods while maintaining comparable detection power, indicating that its refined null model better distinguishes true adaptive loci from background variation. The GNN-based model, in particular, detected additional loci associated with phenotypic variance that were not identified by existing methods. Assessments of simulation and real data from different species demonstrate that pyFLANK achieves lower false positive rates compared with other commonly used F ST outlier detectors, while maintaining comparable detection power and excellent computational performance, providing a robust and user-friendly tool for identifying loci under divergent selection. It extends existing F ST outlier frameworks by incorporating explicit LD-aware strategies for null model calibration. The method is intended as a practical and scalable complement to existing genome scan approaches.

FST↗

DOE OSTI2024

Integration Development and Testing of Rear Transition Monitor for Beam Current Monitoring System

Addressing baseline effects in accelerator environments is crucial for accurate data acquisition and analysis, since baseline effects can obscure signal clarity and impact the reliability of beam current monitoring systems. There are many potential contributors to baseline noise, such as variations in beam dynamics, electromagnetic interference from nearby equipment, or RF interference. Previous applications of noise reduction systems don t sufficiently filter sources of asynchronous noise, so a new algorithm was implemented. A simulation dataset was created to replicate beam conditions and a Red Pitaya FPGA was used to collect data through the streaming application. A Python script was developed to implement noise reduction algorithms and efforts were made to integrate real-time data streaming with the Redis platform and Acnet Front End infrastructure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS2018

Internship in Augmented and Virtual Reality - Rapid Model Import Tool

The integration of virtual and augmented reality, sometimes called mixed reality, is an emerging technology which will likely skyrocket overnight much in the way smartphones did a decade ago. Kennedy Space Center's Augmented and Virtual Reality (AVR) Lab is developing a Rapid Model Import Tool (RMIT) to create a quick and efficient way to bring NASA's complex engineering 3D models into virtual and augmented environments. The long-term objective is to create a tool that will ultimately benefit KSC engineers. Its various uses within NASA can potentially span from astronaut training, to marketing, to public outreach, to name a few. Unity is a prolific cross-platform game engine that allows users to build high quality 2D and 3D games for desktop, mobile, web, and game console platforms. It is perhaps also the most widely used software for virtual reality game development. At the AVR lab, we are looking at alternative uses of Unity to build tools for NASA engineers to perform design, development, testing, and training on spacecraft, rocket delivery systems, ground support equipment, and facilities at KSC. As an intern for the RMIT project, I am charged with the task of performing research on Unity-compatible file types to develop an efficient, affordable, preservative process to bring models from CATIA 3D engineering software into the Unity environment. With a tool called the NASA Enterprise Visualization Application (NEVA), developed by the Boeing Design Visualization group at KSC, we are able to easily convert CATIA's design models to. DAE (also known as COLLADA) and .OBJ file formats. I first reduce the polygon count of the model within CATIA itself, make any necessary tweaks to reduce the model further, and then export using NEVA. The .OBJ or. DAE files that I am left with are then converted by another intern to a Unity-compatible file format using a custom Python script. I have generated extensive documentation of this process in a NEVA User Guide. By the end of this semester, we will have built a solid framework for RMIT based on a thorough understanding of virtual reality specifications and file requirements, allowing future software development teams to go forward with development on the custom tool.

Leap Motion↗

NASA NTRS2007

Computational Workbench for Multibody Dynamics

PyCraft is a computer program that provides an interactive, workbenchlike computing environment for developing and testing algorithms for multibody dynamics. Examples of multibody dynamic systems amenable to analysis with the help of PyCraft include land vehicles, spacecraft, robots, and molecular models. PyCraft is based on the Spatial-Operator- Algebra (SOA) formulation for multibody dynamics. The SOA operators enable construction of simple and compact representations of complex multibody dynamical equations. Within the Py-Craft computational workbench, users can, essentially, use the high-level SOA operator notation to represent the variety of dynamical quantities and algorithms and to perform computations interactively. PyCraft provides a Python-language interface to underlying C++ code. Working with SOA concepts, a user can create and manipulate Python-level operator classes in order to implement and evaluate new dynamical quantities and algorithms. During use of PyCraft, virtually all SOA-based algorithms are available for computational experiments.

Edmonds, Karina↗