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DOE OSTI2026

ARM Data-Oriented Metrics and Diagnostics Package for Climate Model Evaluation

A Python-based metrics and diagnostics package is currently being developed by the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Infrastructure Team at Lawrence Livermore National Laboratory (LLNL) to facilitate the use of long-term, high-frequency measurements from the ARM Facility in evaluating the regional climate simulation of clouds, radiation, and precipitation. This metrics and diagnostics package computes climatological means of targeted climate model simulation and generates tables and plots for comparing the model simulation with ARM observational data. The Coupled Model Intercomparison Project (CMIP) model data sets are also included in the package to enable model intercomparison as demonstrated in Zhang et al. (2017). The mean of the CMIP model can serve as a reference for individual models. Basic performance metrics are computed to measure the accuracy of mean state and variability of climate models. The evaluated physical quantities include cloud fraction, temperature, relative humidity, cloud liquid water path, total column water vapor, precipitation, sensible and latent heat fluxes, and radiative fluxes, with plan to extend to more fields, such as aerosol and microphysics properties. Process-oriented diagnostics focusing on individual cloud- and precipitation-related phenomena are also being developed for the evaluation and development of specific model physical parameterizations. The version 1.0 package is designed based on data collected at ARM’s Southern Great Plains (SGP) Research Facility, with the plan to extend to other ARM sites. The metrics and diagnostics package is currently built upon standard Python libraries and additional Python packages developed by DOE (such as CDMS and CDAT). The ARM metrics and diagnostic package is available publicly with the hope that it can serve as an easy entry point for climate modelers to compare their models with ARM data. In this report, we first present the input data, which constitutes the core content of the metrics and diagnostics package in section 2, and a user's guide documenting the workflow/structure of the version 1.0 codes, and including step-by-step instruction for running the package in section 3.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Unveiling the Hidden Evolution of Crystal Defects and Disorder in Energy Materials

Control of point defects and disorder in functional thin films and 2D materials is critical to realizing their full potential in applications ranging from energy storage to advanced electronics. However, these phenomena are often poorly understood, difficult to characterize, and challenging to direct with precision. This presentation explores emerging multi-modal computer vision to decipher and predict order in materials across multiple length scales in the electron microscope, from the atomic to the nanoscale. By fusing data from diverse sources, these powerful models provide unprecedented insights into materials' lifecycles, enabling the control of defects and their associated properties at a fundamental level. This capability promises to transform materials design and accelerate the development of next-generation technologies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Model Validation Database for Fires Involving Fuels at Liquefied Natural Gas Facilities (Version 2)

This document provides a description of the model evaluation protocol (MEP) database for fires involving liquefied natural gas (LNG) and processing fuels at LNG facilities. The purpose of the MEP is to provide procedures regarding the assessment of a model’s suitability to predict thermal exclusion zones resulting from a fire. The database includes measurements from pool fire, jet fire, and fireball experiments which are provided in a spreadsheet. Users are to enter model results into the spreadsheet which automatically generates statistical performance measures and graphical comparisons with the experimental data. The intent of this document is to provide a description of the experiments and of the procedure required to carry out the validation portion of the MEP. In addition, the statistical performance measures, measurements for comparisons, and parameter variation are provided.

03 NATURAL GAS↗

NASA NTRS1985

Some remarks about simulation of cosmic ray phenomena with use of nuclear interaction models based on the current SPS proton-antiproton data

The x-y controversy is studied by introducing models with as many features (except for x and y distributions) in common, as possible, to avoid an extrapolation problem, only primary energies of 500 TeV are considered. To prove the point, Monte Carlo simulations are performed of EAS generated by 500 TeV vertical primary protons. Four different nuclear interaction models were used. Two of them are described elsewhere. Two are: (1) Model M-Y00 - with inclusive x and y distributions behaving in a scaling way; and (2) Model M-F00 - at and below ISR energies (1 TeV in Lab) exactly equivalent to the above, then gradually changing to provide the distributions in rapidity at 155 TeV as given by SPS proton-antiproton. This was achieved by gradual decrease in the scale unit in x distributions of produced secondaries, as interaction energy increases. Other modifications to the M-Y00 model were made.

Wrotniak, J. A.↗

DOE OSTI2022

pyJSPEC - A Python Module for IBS and Electron Cooling Simulation

The intrabeam scattering is an important collective effect that can deteriorate the property of a high-intensity beam and electron cooling is a method to mitigate the IBS effect. JSPEC (JLab Simulation Package on Electron Cooling) is an open-source C++ program developed at Jefferson Lab, which simulates the evolution of the ion beam under the IBS and/or the electron cooling effect. The Python wrapper of the C++ code, pyJSPEC, for Python 3.x environment has been recently developed and released. It allows the users to run JSPEC simulations in a Python environment. It also makes it possible for JSPEC to collaborate with other accelerator and beam modeling programs as well as plentiful python tools in data visualization, optimization, machine learning, etc. In this paper, we will introduce the features of pyJSPEC and demonstrate how to use it with sample codes and numerical results.

Zhang, H.↗

DOE OSTI2021

A-SST Initial Specification

The U.S. Army Research Office (ARO), in partnership with IARPA, are investigating innovative, efficient, and scalable computer architectures that are capable of executing next-generation large scale data-analytic applications. These applications are increasingly sparse, unstructured, non-local, and heterogeneous. Under the Advanced Graphic Intelligence Logical computing Environment (AGILE) program, Performer teams will be asked to design computer architectures to meet the future needs of the DoD and the Intelligence Community (IC). This design effort will require flexible, scalable, and detailed simulation to assess the performance, efficiency, and validity of their designs. To support AGILE, Sandia National Labs will be providing the AGILE-enhanced Structural Simulation Toolkit (A-SST). This toolkit is a computer architecture simulation framework designed to support fast, parallel, and multi-scale simulation of novel architectures. This document describes the A-SST framework, some of its library of simulation models, and how it may be used by AGILE Performers.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2018

Mission Concept for a Europa Lander

A NASA HQ-directed study team led by the Jet Propulsion Laboratory (JPL) with partners including Applied Physics Lab, Marshall Space Flight Center, Goddard Space Flight Center, Langley Research Center and Sandia National Laboratory has recently presented a mission concept for a Europa Lander that would search for bio-signatures and signs of life in the near-subsurface of the Jovian moon. The mission would follow the Europa Clipper multiple-flyby mission, planned for launch in June of 2022, which would provide reconnaissance imagery and other data to the Lander for use in selecting a scientifically compelling site and certifying it for engineering safety. The Europa Lander concept accommodates the Model Payload identified by the Europa Lander Science Definition Team (SDT) and documented in the Europa Lander Study 2016 Report released in February of 2017. The currently envisioned Europa Lander would launch on an SLS Block 1B as early as October of 2025 into a VEGA trajectory, arriving in the Jovian system as early as July of 2030. The baseline design of the integrated flight system includes a dedicated Carrier and Relay Stage, a Deorbit Vehicle composed of a Deorbit Stage consisting of a solid rocket motor (SRM), an MSL-like sky-crane Descent Stage, and a Lander which accommodates the instrument suite. The Lander would be powered by primary batteries over a 20-day surface mission. The science goals envisioned by the SDT require five samples taken from a depth of 10cm, a depth chosen to ensure minimal radiation processing of the potential biomarkers. Mission challenges include the large launch mass, unknown terrain topography, surface composition and materials properties, the high radiation environment, and complying with stringent planetary protection requirements. The mission concept uses a strategy of early risk reduction and overlapping requirements to provide robustness to harsh and uncertain environments. Early risk reduction efforts are aimed at maturing technologies associated with the sampling system, the intelligent landing system, high specific energy batteries, low mass and power motor controllers, and a thermal sterilization system.

Dooley, Jennifer↗

DOE OSTI2024

Data for: Time to anoxia: Observations and predictions of oxygen drawdown following coastal flood events

This dataset contains data and code associated with the paper Patel et al. "Time to anoxia: Observations and predictions of oxygen drawdown following coastal flood events".The coastal terrestrial-aquatic interface (TAI) is a highly dynamic system characterized by strong physical, chemical, and biological gradients. In particular, shifting soil redox conditions and consumption of terminal electron acceptors, due in part to dynamic hydrologic conditions, is a strong driver of carbon availability and transformations across TAIs. However, while redox dynamics are well described, our ability to quantitatively forecast rates of oxic to anoxic shifts in soils with different characteristics and inundation regimes is limited. We integrated field measurements, laboratory incubations, and model simulations to improve mechanistic understanding of oxygen consumption dynamics in coastal soils. Continuous in situ monitoring unexpectedly revealed that flooding caused temporary spikes in subsurface dissolved oxygen followed by rapid consumption in the wetlands. To further investigate these mechanisms in a controlled setting, we performed laboratory incubations using surface and subsurface soils from a TAI gradient (defined here as upland forest to transitional forest to wetland) in Western Lake Erie to measure oxygen consumption rates in TAI soils during flood events. In our experiments, wetland soils reached anoxia the fastest, in ∼ 9 h on average, whereas upland soils turned anoxic in ∼ 18 h. Subsurface upland soils did not turn anoxic even after two weeks of saturation in the lab, and their oxygen consumption patterns suggested carbon and/or nutrient limitation. These results are consistent with in-situ groundwater redox and oxygen measurements in the field, where wetland soils exhibited the highest rates of oxygen consumption along the TAI. Model simulations of oxygen consumption suggested that oxygen consumption had stronger abiotic controls in wetland soils but stronger biotic controls in upland soils, providing a useful framework for future incubation experiments. Microbial activity is a strong driver of oxygen consumption in TAI soils, although it is constrained by the availability of dissolved carbon in subsurface soils.This dataset contains a compressed (.zip) archive of the data and R scripts used for this manuscript. The dataset includes files in .csv format, which can be accessed and processed using MS Excel or R. This archive can also be accessed on GitHub at https://github.com/COMPASS-DOE/cmps-time_to_anoxia (DOI: 10.5281/zenodo.10815374).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Lab-Scale Demonstration of Pipeline Third-Party Damage Classification Using Convolutional Neural Networks

This research aims to mitigate the challenges of field tests for classification of third-party damages by generating a dataset of third-party damage events on a laboratory scale utilizing single mode-multi mode-single mode (SMS) fiber acoustic sensor. The sound samples representative of various third-party activities, such as vehicle movements, excavation, and digging, were sourced from open-source databases. These samples were then played through a speaker in proximity to an SMS sensor, and the resultant fiber acoustic vibration data were recorded for each event. This process yielded a collection of 200 samples across 13 distinct third-party events. Convolutional Neural Networks (CNNs) were employed to classify these samples into their respective categories, and an accuracy exceeding 97% was obtained from our results.

Bukka, Sandeep Reddy↗

DOE OSTI2023

A Theoretical Open Architecture Framework and Technology Stack for Digital Twins in Energy Sector Applications

Digital twin is often viewed as a technology that can assist engineers and researchers make data-driven system and network-level decisions. Across the scientific literature, digital twins have been consistently theorized as a strong solution to facilitate proactive discovery of system failures, system and network efficiency improvement, system and network operation optimization, among others. With their strong affinity to the industrial metaverse concept, digital twins have the potential to offer high-value propositions that are unique to the energy sector stakeholders to realize the true potential of physical and digital convergence and pertinent sustainability goals. Although the technology has been known for a long time in theory, its practical real-world applications have been so far limited, nevertheless with tremendous growth projections. In the energy sector, there have been theoretical and lab-level experimental analysis of digital twins but few of those experiments resulted in real-world deployments. There may be many contributing factors to any friction associated with real-world scalable deployment in the energy sector such as cost, regulatory, and compliance requirements, and measurable and comparable methods to evaluate performance and return on investment. Those factors can be potentially addressed if the digital twin applications are built on the foundations of a scalable and interoperable framework that can drive a digital twin application across the project lifecycle: from ideation to theoretical deep dive to proof of concept to large-scale experiment to real-world deployment at scale. This paper is an attempt to define a digital twin open architecture framework that comprises a digital twin technology stack (D-Arc) coupled with information flow, sequence, and object diagrams. Those artifacts can be used by energy sector engineers and researchers to use any digital twin platform to drive research and engineering. This paper also provides critical details related to cybersecurity aspects, data management processes, and relevant energy sector use cases.

Gourisetti, Sri, Nikhil Gupta (ORCID:0000000188778↗

DOE OSTI2025

eCounter: Inline Per-IP Network Monitoring at Millisecond Resolution via eBPF

Scientific data acquisition (SciDAQ) systems are shifting from archive-based workflows to streaming paradigms, where real-time, fine-grained network monitoring becomes essential. While P4-enabled devices offer per-packet in-band observability, they require specialized switches and routers. Host-side tools like Prometheus exporters lack sufficient temporal granularity. To bridge this gap, we present eCounter, a lightweight, hardware-agnostic, inline telemetry agent built on extended Berkeley Packet Filter (eBPF). eCounter captures per-interface ingress and egress traffic, categorized by IP address and protocol, at millisecond to sub-millisecond resolution. In a 100 Gbps environment, it continuously exports up to 3,257 time-series bins per second with only 4% CPU utilization at a 35¿KiB/s data rate. We evaluate eCounter across diverse NIC MTU settings, hook types, CPU architectures and operating systems, and observed negligible impact on concurrent high-throughput streaming applications. Complexity analysis confirms that it can be readily scaled to distributed SciDAQ deployments.

Mei, Xinxin [Computational Sciences and Technology↗

DOE OSTI2020

Machine Learning Based Cavity Fault Classification and Prediction

We report on the development of machine learning models for classifying C100 superconducting radio frequency (SRF) cavity faults in the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab. CEBAF is a continuous-wave recirculating linac utilizing 418 SRF cavities to accelerate electrons up to 12 GeV through 5-passes. Of these, 96 cavities (12 cryomodules) are designed with a digital low-level RF system configured such that a cavity fault triggers waveform recordings of 17 RF signals for each of the eight cavities in the cryomodule. Subject matter experts (SME) can analyze the collected time-series data, identify which of the eight cavities faulted first, and classify the type of fault. This information is used to find trends and strategically deploy mitigations to problematic cryomodules. However, manually labeling the data is laborious and time-consuming. By leveraging machine learning, near real-time – rather than post-mortem – identification of the offending cavity and classification of the fault type has been implemented. We discuss the performance of the ML models during a recent physics run.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Thermal Neutron Scattering Improvements and Fixes for MCNP6.3 [Slides]

Major error (10,000+ pcm) discovered when using uranium-dioxide or uranium-nitride included in ENDF80SaB2 release. Improvements are being made towards preparing the code for ENDF/B-VIII.1 (ACE) format updates. A minor error (0-10’s pcm) was discovered while working on new capability development for Lab Directed Research & Development (LDRD) project. Previously, only a single coherent or incoherent elastic channel (along with an inelastic channel) was allowed in a thermal neutron scattering evaluation and subsequent processed ACE file. Based on what is planned in ENDF/B-VIII.1 release, there will be (a) new thermal scattering evaluation(s) which uses this mixed-mode coherent and incoherent elastic scattering blocks. MCNP6.3 has been modified to be able to handle such data in the future. Some reorganization has been made in the cross section calculation (acetot, sabcol, colidn) in the presence of TSL data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1989

Telescience testbed pilot program, volume 1: Executive summary

Leiner, Barry M.↗

NASA NTRS1989

Telescience testbed pilot program, volume 3: Experiment summaries

Space Station Freedom and its associated labs, coupled with the availability of new computing and communications technologies, have the potential for significantly enhancing scientific research. A Telescience Testbed Pilot Program (TTPP), aimed at developing the experience base to deal with issues in the design of the future information system of the Space Station era. The testbeds represented four scientific disciplines (astronomy and astrophysics, earth science, life sciences, and microgravity sciences) and studied issues in payload design, operation, and data analysis. This volume, of a 3 volume set, which all contain the results of the TTPP, presents summaries of the experiments. This experiment involves the evaluation of the current Internet for the use of file and image transfer between SIRTF instrument teams. The main issue addressed was current network response times.

Leiner, Barry M.↗

NASA NTRS1989

Telescience testbed pilot program, volume 2: Program results

Space Station Freedom and its associated labs, coupled with the availability of new computing and communications technologies, have the potential for significantly enhancing scientific research. A Telescience Testbed Pilot Program (TTPP), aimed at developing the experience base to deal with issues in the design of the future information system of the Space Station era. The testbeds represented four scientific disciplines (astronomy and astrophysics, earth sciences, life sciences, and microgravity sciences) and studied issues in payload design, operation, and data analysis. This volume, of a 3 volume set, which all contain the results of the TTPP, contains the integrated results. Background is provided of the program and highlights of the program results. The various testbed experiments and the programmatic approach is summarized. The results are summarized on a discipline by discipline basis, highlighting the lessons learned for each discipline. Then the results are integrated across each discipline, summarizing the lessons learned overall.

Leiner, Barry M.↗

DOE OSTI2025

A Fast Dynamic Internal Predictive Power Scheduling Approach for Power Management in Microgrids: Preprint

This paper presents a Dynamic Internal Predictive Power Scheduling (DIPPS) approach for optimizing power management in microgrids, particularly focusing on external power exchanges among diverse prosumers. DIPPS utilizes a dynamic objective function with a time-varying binary parameter to control the timing of power transfers to the external grid, facilitated by efficient usage of energy storage for surplus renewable power. The microgrid power scheduling problem is modeled as a mixed-integer nonlinear programming (MINLP-PS) and subsequently transformed into a mixed-integer linear programming (MILPPS) optimization through McCormick's relaxation to reduce computational complexity. A predictive window window with 6 data points is solved at an average of 0.92s, a 97.6% improvement over the 38.27s required for the MINLP-PS formulation, implying the numerical feasibility of the DIPPS approach for real-time implementation. Finally, the approach is validated against a static objective using real-world load data across three case studies with different time-varying parameters, demonstrating the ability of DIPPS to optimize power exchanges and efficiently utilize distributed resources while shifting the external power transfers to specified time durations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1991

Parallel processing and expert systems

Whether it be monitoring the thermal subsystem of Space Station Freedom, or controlling the navigation of the autonomous rover on Mars, NASA missions in the 90's cannot enjoy an increased level of autonomy without the efficient use of expert systems. Merely increasing the computational speed of uniprocessors may not be able to guarantee that real time demands are met for large expert systems. Speed-up via parallel processing must be pursued alongside the optimization of sequential implementations. Prototypes of parallel expert systems have been built at universities and industrial labs in the U.S. and Japan. The state-of-the-art research in progress related to parallel execution of expert systems was surveyed. The survey is divided into three major sections: (1) multiprocessors for parallel expert systems; (2) parallel languages for symbolic computations; and (3) measurements of parallelism of expert system. Results to date indicate that the parallelism achieved for these systems is small. In order to obtain greater speed-ups, data parallelism and application parallelism must be exploited.

Yan, Jerry C.↗