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DOE OSTI2024

Kubernetes for the Deep Underground Neutrino Experiment Data Acquisition

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long-baseline neutrino experiment based in the USA which is expected to start taking data in 2029. DUNE aims to precisely measure neutrino oscillation parameters by detecting neutrinos from the LBNF beamline (Fermilab) at the Far Detector, 1,300 kilometres away, in South Dakota at the Sanford Underground Research Facility. The Far Detector will consist of four cryogenic Liquid Argon Time Projection Chamber detectors of 17 kT, each producing more than 1 TB/sec of data. The main requirements for the data acquisition system are the ability to run continuously for extended periods of time, with a 99% up-time requirement, and the functionality to record both beam neutrinos and low energy neutrinos from the explosion of a neighbouring supernova, should one occur during the lifetime of the experiment. The key challenges are the high data rates that the detectors generate and the deep underground environment, which places constraints on power and space. To overcome these challenges, DUNE plans to use a highly optimised C++ software suite and a server farm of about 110 nodes continuously running about two hundred multicore processes located close to the detector, 1.5 kilometres underground. Thirty nodes will be at the surface and will run around two hundred processes simultaneously. DUNE is studying the use of the Kubernetes framework to manage containerised workloads and take advantage of its resource definitions and high up-time services to run the DAQ system. Progress in deploying these systems at the CERN neutrino platform on the prototype DUNE experiments is reported.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

A formally certified end-to-end implementation of Shor’s factorization algorithm

Quantum computing technology may soon deliver revolutionary improvements in algorithmic performance, but it is useful only if computed answers are correct. While hardware-level decoherence errors have garnered significant attention, a less recognized obstacle to correctness is that of human programming errors—“bugs.” Techniques familiar to most programmers from the classical domain for avoiding, discovering, and diagnosing bugs do not easily transfer, at scale, to the quantum domain because of its unique characteristics. To address this problem, we have been working to adapt formal methods to quantum programming. With such methods, a programmer writes a mathematical specification alongside the program and semiautomatically proves the program correct with respect to it. The proof’s validity is automatically confirmed—certified—by a “proof assistant.” Formal methods have successfully yielded high-assurance classical software artifacts, and the underlying technology has produced certified proofs of major mathematical theorems. As a demonstration of the feasibility of applying formal methods to quantum programming, we present a formally certified end-to-end implementation of Shor’s prime factorization algorithm, developed as part of a framework for applying the certified approach to general applications. By leveraging our framework, one can significantly reduce the effects of human errors and obtain a high-assurance implementation of large-scale quantum applications in a principled way.

Science & Technology - Other Topics↗

DOE OSTI2020

UnitTesterSG

UnitTesterSG is a unit testing framework that is designed for nested and/or scientific/engineering data structures. It is designed primarily for testing the outputs if a single function or simulation run by storing the expected results file such that comparisons to the stored output can be made with unit tests after the function or software has been edited. This module is designed to be able to unit test arrays, strings, as well as nested and deeply nested objects (including arrays with tuples inside, arrays with strings inside, etc.). The module is compatable with nested objects, and thus has a dependency on the nestedObjectsFunctions module within. The module takes *calculated* results and then compares them to *expected* results. If no expected results are available (or they do not match the calculated results) the module then offers to store the calculated results as expected results for next time.

Savara, Aditya [Oak Ridge National Lab. (ORNL), Oa↗

DOE OSTI2026

Opportunities in AI/ML for the Rubin LSST Dark Energy Science Collaboration

The Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) will produce unprecedented volumes of heterogeneous astronomical data (images, catalogs, and alerts) that challenge traditional analysis pipelines. The LSST Dark Energy Science Collaboration (DESC) aims to derive robust constraints on dark energy and dark matter from these data, requiring methods that are statistically powerful, scalable, and operationally reliable. Artificial intelligence and machine learning (AI/ML) are already embedded across DESC science workflows, from photometric redshifts and transient classification to weak lensing inference and cosmological simulations. Yet their utility for precision cosmology hinges on trustworthy uncertainty quantification, robustness to covariate shift and model misspecification, and reproducible integration within scientific pipelines. This white paper surveys the current landscape of AI/ML across DESC's primary cosmological probes and cross-cutting analyses, revealing that the same core methodologies and fundamental challenges recur across disparate science cases. Since progress on these cross-cutting challenges would benefit multiple probes simultaneously, we identify key methodological research priorities, including Bayesian inference at scale, physics-informed methods, validation frameworks, and active learning for discovery. With an eye on emerging techniques, we also explore the potential of the latest foundation model methodologies and LLM-driven agentic AI systems to reshape DESC workflows, provided their deployment is coupled with rigorous evaluation and governance. Finally, we discuss critical software, computing, data infrastructure, and human capital requirements for the successful deployment of these new methodologies, and consider associated risks and opportunities for broader coordination with external actors.

Aubourg, Eric [APC, Paris] (ORCID:000000025592023X↗

NASA NTRS2006

A Generic Multibody Parachute Simulation Model

Flight simulation of dynamic atmospheric vehicles with parachute systems is a complex task that is not easily modeled in many simulation frameworks. In the past, the performance of vehicles with parachutes was analyzed by simulations dedicated to parachute operations and were generally not used for any other portion of the vehicle flight trajectory. This approach required multiple simulation resources to completely analyze the performance of the vehicle. Recently, improved software engineering practices and increased computational power have allowed a single simulation to model the entire flight profile of a vehicle employing a parachute.

Neuhaus, Jason Richard↗

NASA NTRS2009

Systematic Benchmarking of Diagnostic Technologies for an Electrical Power System

Automated health management is a critical functionality for complex aerospace systems. A wide variety of diagnostic algorithms have been developed to address this technical challenge. Unfortunately, the lack of support to perform large-scale V&V (verification and validation) of diagnostic technologies continues to create barriers to effective development and deployment of such algorithms for aerospace vehicles. In this paper, we describe a formal framework developed for benchmarking of diagnostic technologies. The diagnosed system is the Advanced Diagnostics and Prognostics Testbed (ADAPT), a real-world electrical power system (EPS), developed and maintained at the NASA Ames Research Center. The benchmarking approach provides a systematic, empirical basis to the testing of diagnostic software and is used to provide performance assessment for different diagnostic algorithms.

Kurtoglu, Tolga↗

NASA NTRS2011

Design of the Next Generation Aircraft Noise Prediction Program: ANOPP2

The requirements, constraints, and design of NASA's next generation Aircraft NOise Prediction Program (ANOPP2) are introduced. Similar to its predecessor (ANOPP), ANOPP2 provides the U.S. Government with an independent aircraft system noise prediction capability that can be used as a stand-alone program or within larger trade studies that include performance, emissions, and fuel burn. The ANOPP2 framework is designed to facilitate the combination of acoustic approaches of varying fidelity for the analysis of noise from conventional and unconventional aircraft. ANOPP2 integrates noise prediction and propagation methods, including those found in ANOPP, into a unified system that is compatible for use within general aircraft analysis software. The design of the system is described in terms of its functionality and capability to perform predictions accounting for distributed sources, installation effects, and propagation through a non-uniform atmosphere including refraction and the influence of terrain. The philosophy of mixed fidelity noise prediction through the use of nested Ffowcs Williams and Hawkings surfaces is presented and specific issues associated with its implementation are identified. Demonstrations for a conventional twin-aisle and an unconventional hybrid wing body aircraft configuration are presented to show the feasibility and capabilities of the system. Isolated model-scale jet noise predictions are also presented using high-fidelity and reduced order models, further demonstrating ANOPP2's ability to provide predictions for model-scale test configurations.

Lopes, Leonard V., Dr.↗

NASA NTRS2012

Bringing Together Users and Developers of Forest Biomass Maps

Forests store carbon and thus represent important sinks for atmospheric carbon dioxide. Reducing uncertainty in current estimates of the amount of carbon in standing forests will improve precision of estimates of anthropogenic contributions to carbon dioxide in the atmosphere due to deforestation. Although satellite remote sensing has long been an important tool for mapping land cover, until recently aboveground forest biomass estimates have relied mostly on systematic ground sampling of forests. In alignment with fiscal year 2010 congressional direction, NASA has initiated work toward a carbon monitoring system (CMS) that includes both maps of forest biomass and total carbon flux estimates. A goal of the project is to ensure that the products are useful to a wide community of scientists, managers, and policy makers, as well as to carbon cycle scientists. Understanding the needs and requirements of these data users is helpful not just to the NASA CMS program but also to the entire community working on carbon-related activities. To that end, this meeting brought together a small group of natural resource managers and policy makers who use information on forests in their work with NASA scientists who are working to create aboveground forest biomass maps. These maps, derived from combining remote sensing and ground plots, aim to be more accurate than current inventory approaches when applied at local and regional scales. Meeting participants agreed that users of biomass information will look to the CMS effort not only to provide basic data for carbon or biomass measurements but also to provide data to help serve a broad range of goals, such as forest watershed management for water quality, habitat management for biodiversity and ecosystem services, and potential use for developing payments for ecosystem service projects. Participants also reminded the CMS group that potential users include not only public sector agencies and nongovernmental organizations but also the private sector because much forest acreage in the United States is privately held and needs data for forest management. Additional key outcomes identified by meeting participants include the following: (1) Priority should be given to building into the biomass product ease of use and low costs (including costs of hardware, software, and analysis requirements), (2) CMS products should also be relevant to other biomass measures for forest watershed management, habitat protection for biodiversity, and assessment of markets for ecosystem services, (3) CMS leadership should engage with the Subsidiary Body for Scientific and Technological Advice of the United Nations Framework Convention on Climate Change as they establish measuring, reporting, and verification standards, and (4) CMS leadership should continue to keep sister agencies and other organizations informed as CMS develops, particularly via the agencies active in the U.S. Global Change Research Program Carbon Cycle Interagency Working Group (U.S. Geological Survey, U.S. Department of Agriculture, and National Oceanic and Atmospheric Administration) and nongovernmental organizations.

Forest↗

NASA NTRSDate not supplied

NASA ESTO Advanced Information Systems Technology (AIST)

"(Only Talk/No Publication) NASA’s Advanced Information Systems Technology (AIST) Program identifies, develops, and supports adoption of software and information systems, as well as novel computer science technologies expected to be needed by the Earth Science Division in the 5-10-year timeframe. This presentation gives an overview of the AIST Program. AIST’s previous thrusts have been New Observing Strategies (NOS) and Analytic Collaborative Frameworks (ACF). The current vision is to connect these two thrusts and integrate them into the larger concept of Earth System Digital Twins (ESDT). To implement this new vision, the AIST Program is focusing on technologies and innovative concepts with three main objectives: O1. Enable new observation measurements and new observing systems design and operations through intelligent, timely, dynamic, and coordinated distributed sensing; O2. Enable agile science investigations that fully utilize the large amount of diverse observations using advanced analytic tools, visualizations, and computing environments, and that interact seamlessly with relevant observing systems; O3. Enable the development of integrated Earth Science frameworks that mirror the Earth with state-of-the-art models (Earth system models and others), timely and relevant observations, and analytic tools. This thrust will provide technology for enabling near- and long-term science and policy decisions (“science decisions” including planning for the acquisition of new measurements; the development of new models or science analysis; the integration of Earth observations in novel ways; applications to inform choices, support decisions, and guide actions for societal benefit; etc.)."

Mathematical and Computer Sciences (General)↗

NASA NTRSDate not supplied

Verification of the Generalized Aerospace Simulation in Simulink

NASA uses six-degrees-of-freedom (6-DOF) simulations tools to design, test, develop Guidance Navigation and Control (GN&C) software, and certify vehicle performance prior to flight. Therefore, it is critical that the 6-DOF tools used for vehicle design and certification are validated. The focus of this work is the validation of the NASA Marshall Space Flight Center 6-DOF “GeneraLized Aerospace Simulation in Simulink” (GLASS) framework tool. The GLASS tool framework is currently used to support NASA GN&C insight for the Human Landing System (HLS) project, simulating vehicle dynamics during lunar descent and ascent. The GLASS framework utilizes the off-the-shelf Mathworks (R) Simscape (TM) Multibody (TM) toolbox to model vehicle multi-body dynamics. NASA’s Engineering and Safety Center (NESC) provides a set of 6-DOF simulation verification “check cases” that are available to any user needing to verify 6-DOF tools. The check cases contain seventeen atmospheric and twenty-six orbital test scenarios are provided to validate equations of motion, environmental models (e.g., atmosphere, gravitation, and geodesy) and tool propagators. This paper compares GLASS 6-DOF simulation results against the NESC check cases’ results via simulation-to-simulation comparisons. The comparison demonstrates that GLASS simulation results are “in family” with the outputs of the applicable NASA NESC check-cases and verify the GLASS core framework dynamics and the implementation of the check case scenario models.

6-Dof↗

DOE OSTI2020

Comparing event generator predictions and ab-initio calculations of $\nu$-$^{12}$C neutral current quasi-elastic scattering at 1 GeV

The measurement of neutrino oscillations and exotic physics searches are important parts of the physics program in the near future, with new state-of-the-art experiments planned within the next decade. Future and modern experiments in these fields will make use of nuclear targets. Event Generators (EGs) are software used in the analysis of neutrino oscillation experiments. EGs use to predict kinematic observables for a range of neutrino energies. These simulations may lack physics captured by more rigorous theoretical calculations. This work compares EG performance to nuclear theory calculations by comparing observables generated in the two frameworks. We provide a common set of definitions between theory and experiment and assess the physics contained in EG simulations. Neutral current quasi-elastic (NCQE) scattering events for neutrinos and anti-neutrinos on a $^{12}$C target are simulated with a specific EG, NEUT, used by the T2K experiment for its analysis. The simulated cross sections are compared to analytic calculations from nuclear theory within the factorization scheme. We compare the NEUT implementation of two different models on nuclear spectral functions: the Relativistic Fermi Gas (RFG) and the correlated basis spectral function (CBF) to analytic calculations of the same models in the factorization scheme. For both nuclear physics models, we compare the appearance of features in the distributions relevant to experimental analyses. Qualitatively, the shape of the simulated distribution is similar to the one obtained through theory calculations; however, there are some discrepancies between the theory calculations and the NEUT simulation. While the EG simulations and analytic calculations with the same model of nuclear dynamics show similar overall features, there are still differences between the two.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Multi-sensor fusion for robust autonomous flight in indoor and outdoor environments with a rotorcraft micro-aerial vehicle (MAV)

The subject matter described herein includes a modular and extensible approach to integrate noisy measurements from multiple heterogeneous sensors that yield either absolute or relative observations at different and varying time intervals, and to provide smooth and globally consistent estimates of position in real time for autonomous flight. We describe the development of the algorithms and software architecture for a new 1.9 kg MAV platform equipped with an IMU, laser scanner, stereo cameras, pressure altimeter, magnetometer, and a GPS receiver, in which the state estimation and control are performed onboard on an Intel NUC 3rd generation i3 processor. We illustrate the robustness of our framework in large-scale, indoor-outdoor autonomous aerial navigation experiments involving traversals of over 440 meters at average speeds of 1.5 m/s with winds around 10 mph while entering and exiting buildings.

42 ENGINEERING↗

DOE OSTI2026

NanoPSD: A software for automatic detection of Nano-Particle Shape Distribution in electron microscopy images

Accurate quantification of the size and morphology of nanoparticles from electron microscopy (EM) images is essential to understand growth mechanisms, surface reactivity, and functional behavior in nanoscale materials. Manual analysis remains slow, subjective, and difficult to reproduce in large datasets. We introduce NanoPSD (Nano-Particle Shape Distribution), an open-source and fully automated framework for quantitative particle detection and morphology analysis from EM images. NanoPSD integrates adaptive contrast enhancement, polarity-agnostic scale-bar detection, Optical Character Recognition (OCR)-based calibration, and classical segmentation via Otsu thresholding with morphological refinement. Particle contours are used to extract geometric descriptors, including equivalent circular diameter, aspect ratio, circularity, and solidity, enabling automated classification into spherical, rod-like, and aggregate morphologies. The framework supports both single-image and batch processing, generating publication-quality visualizations, LaTeX-ready tables, and structured comma-separated values (CSV) datasets. As a demonstration, we applied NanoPSD to plasma-synthesized nanoparticle samples diagnosed via transmission electron microscopy (TEM). The code produced statistically robust size and morphology distributions spanning a few to tens of nanometers with minimal user supervision. The pipeline demonstrates high reproducibility and scalability, processing large image collections with consistent calibration and output formatting. Its modular design enables seamless integration of future deep-learning-based segmentation models, providing a pathway toward intelligent, data-driven electron microscopy analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2026

“Frameworks, Algorithms and Scalable Technologies for Mathematics (FASTMath) SciDAC Institute” (Final Technical Report)

SMU personnel formed a portion of the overall “Time Integration” team within the FASTMath SciDAC-5 Institute, and we interacted very closely with team members from collaborating institutions. The major goals of our team within the FASTMath institute may be categorized into two groups: the development of advanced and application-aware time integration methods and software, and close interactions with DOE application scientists to facilitate their use of these new methods and software. The two goals are intimately linked, since our research and development of novel tools is informed by the needs of our application partners, who in turn benefit from subsequent mathematical and software advances. While the SMU personnel collaborated with the rest of the Time Integration FASTMath team on most of our shared deliverables within the larger FASTMath institute, SMU personnel primarily contributed to the following subset of those goals: ● expanding capabilities for higher-order and solve-decoupled multirate methods, ● enhancing support for temporal adaptivity within multirate methods, and ● adding structure-aware time integration methods. Each of these goals focused both on intellectual contributions through journal articles or research presentations, and on enhancements to the open-source SUNDIALS library of time integrators and nonlinear solvers, of which the SMU PI Reynolds is a core developer.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Open Source Principles Utilized by the CERES Edition 5 Level-3 Framework

The Clouds and the Earth’s Radiant Energy System (CERES) Science Team integrates and fuses observations from six CERES instruments aboard the Terra, Aqua, S-NPP, and NOAA-20 missions with data from twenty-five geostationary imagers, in creating a nearly 25-year, ongoing record of the Earth’s radiation budget. In preparation for the next version of CERES data products, the team has been exploring software development methods leveraging open-source principles and software to streamline data product configuration and algorithm implementation. This effort will provide robust software for production while maintaining greater flexibility for the algorithm developers to explore new science.

T. Nelson Hillyer↗

NASA NTRSDate not supplied

Open Source Principles Utilized by the CERES Edition 5 Level-3 Framework

Thomas N Hillyer↗

DOE OSTI2020

Technical Resilience Navigator

The Technical Resilience Navigator (TRN) is a systematic approach to identifying vulnerabilities with energy and water systems, and prioritizing solutions that reduce risk. The ultimate outcome of the TRN is a set of actionable resilience solutions that address the site's most important gaps in resilience and enhance the ability to maintain mission continuity. The TRN is designed to step users through this planning process, providing a framework to: assign roles and responsibilities; collect and document information and data; document key inputs and outputs for each of the TRN modules (Site Level Planning, Baseline Development, Risk Assessment, Solution Development, and Solution Prioritization); document prioritized list of resilience solutions; and track progress through the entire process. Currently "software as a service" at the listed website.

Rotondo, Julia↗

DOE OSTI2024

STITCHES: a Python package to amalgamate existing Earth system model output into new scenario realizations

Understanding the interaction between humans and the Earth system is a computationally daunting task, with many possible approaches depending on resources available and questions of interest. For example, state-of-the-art impact models require decade-long time series of relatively high frequency, spatially resolved and often multiple variables representing climatic impact-drivers (Ruane et al., 2022). Most commonly these are derived from the outputs of detailed, computationally expensive Earth System Models (ESMs) run according to a standard, limited set of future scenarios, the latest being the SSP-RCPs run under CMIP6/ScenarioMIP (Eyring et al., 2016; O’Neill et al., 2016). At the time of writing, O’Neill et al. (2016) has been cited more than 1750 times and Eyring et al. (2016) more than 5000 times, highlighting the broad, general applications of this data. Often, however, impact modeling seeks to explore new scenarios that were not part of the ScenarioMIP protocol, and/or needs a larger set of initial condition ensemble members than are typically available to quantify the effects of ESM internal variability. In addition, the recognition that the human and Earth systems are fundamentally intertwined, and may feature potentially significant feedback loops, is making integrated, simultaneous modeling of the coupled human-Earth system increasingly necessary, if computationally challenging with most existing tools (Thornton et al., 2017). For impact modelers, climate model emulators can be the answer to meet both the needs of: 1) creating realizations for novel scenarios and 2) achieving a simplified, computationally tractable representation of ESM behavior in a coupled human-Earth system modeling framework. We proposed a new, comprehensive approach to such emulation of gridded, multivariate ESM outputs for novel scenarios without the computational cost of a full ESM, STITCHES (Tebaldi et al., 2022). The approach outlined in Tebaldi et al. (2022) should be extensible to future CMIP eras, although the STITCHES software at present is strictly focused on CMIP6/ScenarioMIP data hosted on Pangeo (https://gallery.pangeo.io/repos/pangeo-gallery/cmip6/). The corresponding STITCHES Python package uses existing archives of ESMs’ scenario experiments from CMIP6/ScenarioMIP to construct gridded, multivariate realizations of new scenarios provided by reduced complexity climate models (Hartin et al., 2015; Meinshausen et al., 2011; Smith et al., 2018), or to enrich existing initial condition ensembles. Its output provides the same characteristics as the emulated ESM output: multivariate (spanning potentially all variables that the ESM has saved), spatially resolved (down to the native grid of the ESM), and preserving the same high frequency as the original data. A new realization of multiple variables can be generated on the order of minutes with STITCHES, rather than the hours or sometimes days that ESMs require.

97 MATHEMATICS AND COMPUTING↗