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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A step towards the final frontier: Lessons learned from acceptance testing of the first HPE/Cray EX 3000 system at ORNL

Summary In this article, we summarize the deployment of the Air Force Weather (AFW) HPC11 system at Oak Ridge National Laboratory (ORNL) including the process followed to successfully complete acceptance testing of the system. HPC11 is the first HPE/Cray EX 3000 system that has been successfully released to its user community in a federal facility. HPC11 consists of two identical 800‐node supercomputers, Fawbush and Miller, with access to two independent and identical lustre parallel file systems. HPC11 is equipped with Slingshot 10 interconnect technology and relies on the HPE Performance Cluster Manager software for system configuration. ORNL has a clearly defined acceptance testing process used to ensure that every new system deployed can provide the necessary capabilities to support user workloads. We worked closely with HPE and AFW to develop a set of tests that used the United Kingdom's Meteorological Office's Unified Model and 4‐dimensional variational data assimilation. We also included benchmarks and applications from the Oak Ridge Leadership Computing Facility portfolio to fully exercise the HPE/Cray programming environment and evaluate the functionality and performance of the system. Acceptance testing of HPC11 required parallel execution of each element on Fawbush and Miller. In addition, careful coordination was needed to ensure successful acceptance of the newly deployed lustre file systems alongside the compute resources. In this work, we present test results from specific system components and provide an overview of the issues identified, challenges encountered, and the lessons learned along the way.

Melesse Vergara, Verónica G.↗
DOE OSTI2025

Robust Spectral Anomaly Detection in EELS Spectral Images via 3D Convolutional Variational Autoencoders

Abstract A 3D Convolutional Variational Autoencoder (3D‐CVAE) is introduced for automated anomaly detection in electron energy‐loss spectroscopy spectrum imaging (EELS‐SI) data. This approach leverages the full 3D structure of EELS‐SI data to detect subtle spectral anomalies while preserving both spatial and spectral correlations across the datacube. By employing cross‐entropy loss and training on bulk spectra, the model learns to reconstruct bulk features characteristic of the defect‐free material. In exploring methods for anomaly detection, both the 3D‐CVAE approach and principal component analysis (PCA) are evaluated, testing their performance using FeL‐edge ΔEpeak shifts designed to simulate material defects. These results show that 3D‐CVAE achieves superior anomaly detection and maintains consistent performance across various shift magnitudes. The method demonstrates clear bimodal separation between bulk and anomalous spectra, enabling reliable classification. Further analysis verifies that lower‐dimensional representations are robust to anomalies in the data. While performance advantages over PCA diminish with decreasing anomaly concentration, our method maintains high reconstruction quality even in challenging, noise‐dominated spectral regions. This approach provides a robust framework for unsupervised automated detection of spectral anomalies in EELS‐SI data, particularly valuable for analyzing complex material systems.

Chemistry↗
DOE OSTI2021

A practical approach for identifying various polarization behaviors of redox-stable electrodes in symmetrical solid oxide fuel cells

In symmetrical solid oxide fuel cells, comprehensively understanding the elementary reaction processes and the polarization behaviors of redox-stable electrode materials is critical for further optimization of the electrode performance. In this work, a systematical and practical approach, based on electrochemical impedance spectroscopy technology, is applied to identify the rate-limiting elementary reactions of the redox-stable electrodes. The feasibility of this proposed method is demonstrated in symmetrical solid oxide fuel cells with Sr 2 Fe 1.5 Mo 0.5 O 6-σ -Ce 0.9 Gd 0.1 O 1.95 as electrodes. Based on the characteristic frequency ranges and the experimental results tested under various fuel gas components, operating temperatures, and discharge current densities, the rate-limiting steps of the cathode are associated with the formation of adsorbed oxygen ions and the combination of oxygen ions and oxygen vacancies, while the rate-limiting steps of the anode are ascribed to the hydrogen dissociated adsorption and the steam desorption processes. This experimental and analysis framework can be straightforwardly extended to other electrode materials to unravel their electrochemical performance in detail.

25 ENERGY STORAGE↗
DOE OSTI2016

The Aerogel Cerenkov detector for the SHMS magnetic spectrometer in Hall C at Jefferson Lab

Hadronic reactions producing strange quarks such as exclusive or semi-inclusive kaon production, play an important role in studies of hadron structure and the dynamics that bind the most basic elements of nuclear physics. The small-angle capability of the new Super High Momentum Spectrometer (SHMS) in Hall C, coupled with its high momentum reach - up to the anticipated 11-GeV beam energy in Hall C - and coincidence capability with the well-understood High Momentum Spectrometer, will allow for probes of such hadron structure involving strangeness down to the smallest distance scales to date. To cleanly select the kaons, a threshold aerogel Cerenkov detector has been constructed for the SHMS. The detector consists of an aerogel tray followed by a diffusion box. Four trays for aerogel of nominal refractive indices of n =1.030, 1.020, 1.015 and 1.011 were constructed. The tray combination will allow for identification of kaons from 1 GeV/c up to 7.2 GeV/c, reaching 10 -2 proton and 10 -3 pion rejection, with kaon detection efficiency better than 95%. The diffusion box of the detector is equipped with 14 five-inch diameter photomultiplier tubes. Its interior walls are covered with Gore diffusive reflector, which is superior to the commonly used Millipore paper and improved the detector performance by 35%. The inner surface of the two aerogel trays with higher refractive index is covered with Millipore paper, however, those two trays with lower aerogel refractive index are again covered with Gore diffusive reflector for higher performance. The measured mean number of photoelectrons in saturation is ~12 for n =1.030, ~8 for n =1.020, ~10 for n =1.015, and ~5.5 for n =1.011. Here the design details, the results of component characterization, and initial performance tests and optimization of the detector are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Analog simulator of integro-differential equations with classical memristors

An analog computer makes use of continuously changeable quantities of a system, such as its electrical, mechanical, or hydraulic properties, to solve a given problem. While these devices are usually computationally more powerful than their digital counterparts, they suffer from analog noise which does not allow for error control. We will focus on analog computers based on active electrical networks comprised of resistors, capacitors, and operational amplifiers which are capable of simulating any linear ordinary differential equation. However, the class of nonlinear dynamics they can solve is limited. In this work, by adding memristors to the electrical network, we show that the analog computer can simulate a large variety of linear and nonlinear integro-differential equations by carefully choosing the conductance and the dynamics of the memristor state variable. We study the performance of these analog computers by simulating integro-diferential models related to fluid dynamics, nonlinear Volterra equations for population growth, and quantum models describing non-Markovian memory effects, among others. Finally, we perform stability tests by considering imperfect analog components, obtaining robust solutions with up to 13% relative error for relevant timescales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Robust identification of multiple-input single-output system response for efficient pickup noise removal from tokamak diagnostics

We report electromagnetic pickup noise in the tokamak environment imposes an imminent challenge for measuring weak diagnostic photocurrents in the nA range. The diagnostic signal can be contaminated by an unknown mixture of crosstalk signals from coils powered by currents in the kA range. To address this issue, an algorithm for robust identification of linear multi-input single-output (MISO) systems has been developed. The MISO model describes the dynamic relationship between measured signals from power sources and observed signals in the diagnostic and allows for a precise subtraction of the noise component. The proposed method was tested on experimental diagnostic data from the DIII-D tokamak, and it has reduced noise by up to 20 dB in the 1–20 kHz range.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Development and construction status of the Mu2e electromagnetic calorimeter mechanical structures

Abstract The Mu2e experiment at Fermilab will search for the CLFV neutrino-less coherent conversion of a muon into an electron in the field of an aluminum nucleus. The observation of this process would be the evidence of physics beyond the Standard Model. Mu2e comprises a straw-tracker, an electromagnetic calorimeter and an external veto for cosmic rays. The calorimeter provides electron identification, a fast trigger and aids track reconstruction. It is a state-of-the-art crystal calorimeter and employs 1340 pure CsI crystals readout by UV-extended SiPM and fast electronics. The design consists of two identical annular disks positioned at the relative distance of 70 cm downstream the target.The hostile Mu2e conditions (total ionizing dose of 12 krad and a neutron fluence of 5 × 10 10 n/cm 2 @ 1 MeVeq (Si)/y, 1 T magnetic field and vacuum level of 10 −4 Torr) posed tight constraints on the mechanical structures and materials choice. The support structure of the two crystal matrices employs two aluminum hollow rings and parts made of open-cell vacuum-compatible carbon fiber. SiPMs and front-end electronics for each crystal are assembled in one mechanical unit inserted in a machined copper holder. The units are supported by a plate made of vacuum-compatible material. The plate integrates the cooling system made of a network of copper lines flowing a low temperature fluid and placed in thermal contact with the copper holders. The DAQ is hosted in aluminum crates positioned on the lateral surface of the disks. The crates also integrate the DAQ electronics cooling system. We review the constraints on the calorimeter structures design, the development of all the structural components, including the simulations that have determined the materials and technological choices and the specifications of the cooling station, components production and quality assurance tests, the procedures for detector assembly, transportation and installation in the experimental area.

Instruments & Instrumentation↗
DOE OSTI2016

The phase-1 upgrade of the CMS pixel detector

The pixel detector of the CMS experiment will be upgraded during the extended end of year shutdown during winter 2016/2017. The upgraded detector will operate at full efficiency at an instantaneous luminosity of 2 × 10 34 cm -2 s -1 with increased detector acceptance and additional redundancy for the tracking, while at the same time reducing the material budget. The design and technological choices will be reviewed, and the status of the construction of the detector and the performance of its components as measured in system tests are discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

The Materials Plasma Exposure eXperiment: Status of the Physics Basis Together With the Conceptual Design and Plans Forward

The Materials Plasma Exposure eXperiment (MPEX) is a linear plasma device that will address the plasma–material interaction (PMI) science for future fusion reactors and will enable testing of plasma-facing components (PFCs). It is designed as a steady-state device eventually delivering an ion fluence of up to 10 31 m -2 to the target. The device will be designed to handle neutron-activated materials. These capabilities should push the technical readiness level of PFCs up to six for some end-of-life aspects. In order to achieve the relevant plasma conditions, as they are expected in future fusion reactor divertors, MPEX will utilize a novel plasma source concept. This plasma source concept uses a high-power helicon (200 kW, 13.56 MHz), an electron cyclotron heating (ECH) system, which will heat electrons via electron Bernstein wave (EBW) heating (about 400 kW, 70 GHz), and an ion cyclotron heating (ICH) system (400 kW, 6–9 MHz). The physics basis for this plasma source concept including the heating physics and transport is based on experiments on Proto-MPEX. An overview of the experimental results and the physics basis will be given. The physics basis directly translates into functional requirements of MPEX and the conceptual design. The status of the conceptual design of MPEX will be shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Equivalent radiation damage in zirconium irradiated in various reactors - 2016-0101

The physical properties and in-reactor performance of core components made from zirconium alloys are a function of the radiation-induced atomic displacements that occur during service. The vacancy and interstitial point defects and their clusters created by the atomic displacements modify the microstructure, and therefore physical properties such as strength and ductility, by forming dislocation loops. The rate of production of point defects also affects time-dependent properties such as creep and diffusion (mass transport). To simulate the effect of irradiation on core components, researchers have used materials test reactors for many years to irradiate and test materials. Such reactor tests can target an accumulated displacement damage dose to simulate the state of a material at a given stage in reactor life but at an accelerated rate. Each nuclear reactor has a specific neutron energy spectrum that also depends on the in-reactor location. Therefore, to use test reactor data to determine the effect of radiation damage on power reactor materials, one must convert the accumulated dose into a unit that is common in its effect on the material properties. For many property changes in nuclear reactor cores, this unit is displacements per atom. This paper compares the damage production for zirconium irradiated under differing neutron energy spectra in various power and test reactors. The damage rates as a function of different measures of neutron flux were used to relate atomic displacements in various materials test reactors to CANDU and light-water reactor conditions. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2016

1.5 MW RF Load for ITER

Calabazas Creek Research, Inc. developed a 1.5 MW RF load for the ITER fusion research facility currently under construction in France. This program leveraged technology developed in two previous SBIR programs that successfully developed high power RF loads for fusion research applications. This program specifically focused on modifications required by revised technical performance, materials, and assembly specification for ITER. This program implemented an innovative approach to actively distribute the RF power inside the load to avoid excessive heating or arcing associated with constructive interference. The new design implemented materials and assembly changes required to meet specifications. Critical components were built and successfully tested during the program.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Nuclear-Renewable Hybrid Energy Systems: 2016 Technology Development Program Plan

The United States is in the midst of an energy revolution, spurred by advancement of technology to produce unprecedented supplies of oil and natural gas. Simultaneously, there is an increasing concern for climate change attributed to greenhouse gas (GHG) emissions that, in large part, result from burning fossil fuels. An international consensus has concluded that the U.S. and other developed nations have an imperative to reduce GHG emissions to address these climate change concerns. The global desire to reduce GHG emissions has led to the development and deployment of clean energy resources and technologies, particularly renewable energy technologies, at a rapid rate. At the same time, each of the major energy sectors—the electric grid, industrial manufacturing, transportation, and the residential/commercial consumers— is increasingly becoming linked through information and communications technologies, advanced modeling and simulation, and controls. Coordination of clean energy generation technologies through integrated hybrid energy systems, as defined below, has the potential to further revolutionize energy services at the system level by coordinating the exchange of energy currency among the energy sectors in a manner that optimizes financial efficiency (including capital investments), maximizes thermodynamic efficiency (through best use of exergy, which is the potential to use the available energy in producing energy services), reduces environmental impacts when clean energy inputs are maximized, and provides resources for grid management. Rapid buildout of renewable technologies has been largely driven by local, state, and federal policies, such as renewable portfolio standards and production tax credits that incentivize investment in these generation sources. A foundational assumption within this program plan is that renewable technologies will continue to be major contributors to the future U.S. energy infrastructure. While increased use of clean renewable technologies will aid in achieving reduced GHG emissions, it also presents new challenges to grid management that must be addressed. These challenges primarily derive from the fundamental characteristics of variable renewable generators, such as wind and solar: non-dispatchability, variable production, and reduced electromechanical inertia. This document presents a preliminary research and development (R&D) plan for detailed dynamic simulation and analysis of nuclear-renewable hybrid energy systems (N-R HES), coupled with integrated energy system design, component development, and integrated systems testing. N-R HES are cooperatively-controlled systems that dynamically apportion thermal and/or electrical energy to provide responsive generation to the power grid.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2016

Crashworthiness Models for Automotive Batteries - Report on Project 2088-A031-15 for DOT/NHTSA

Safety is a key element of any device designed to store energy, in particular electrochemical batteries, which convert energy of chemical reactions to electrical energy. Safety considerations are especially important when applied to large automotive batteries designed for propulsion of electric vehicles (EV). The high amount of energy stored in EV battery packs translates to higher probability of fire in case of severe deformation of battery compartment due to automotive crash or impact caused by road debris. While such demand for safety has resulted in heavier protection of battery enclosure, the mechanisms leading to internal short circuit due to deformation of the battery are not well understood even on the level of a single electrochemical cell. Moreover, not all internal shorts result in thermal runaway, and thus a criterion for catastrophic failure needs to be developed. This report summarizes the effort to pinpoint the critical deformation necessary to trigger a short via experimental study on large format automotive Li-ion cells in a rigid spherical indentation configuration. Cases of single cells and cell stacks undergoing indentation were investigated. Mechanical properties of cell components were determined via experimental testing and served as input for constitutive models of Finite Element (FE) analysis. The ability of the model to predict the behavior of cell(s) under spherical indentation and to predict failure leading to internal short circuit was validated against experiments. The necessity of resolving pairs of negative and positive electrodes in the FE formulation is clearly demonstrated by comparing layer-resolved simulations with simulations involving batteries with homogenized material properties. Finally, a coupled solution of electrochemical-electrical-thermal (EET) problem on a Nissan Leaf battery module was demonstrated towards the goal of extending the simulations to module level.

25 ENERGY STORAGE↗
DOE OSTI2018

Calibration of the PT 3845 Electrical Tester, July 13, 2018

The PT3845 Electrical Tester, calibration file number 101921, is used to test the electrical properties of components for the Surveillance Program. The unit is located in PF-4 room 214, and is a custom construction provided by Sandia National Laboratory/Primecore.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Benchscale Evaluation of Nanodiamond Oil Additives

This CRADA between Cool-X and ORNL was to investigate the impact of diamond nanoparticles as diesel engine oil additives on lubricating behavior and gain fundamental understanding of the friction and wear reduction mechanisms. Systematic tribological bench tests were used for evaluating the Cool-X diamond nanoparticles (ND) as candidate diesel engine oil additives, and surface characterization was carried out to reveal the friction reduction mechanisms. No significant micro-rolling effect or increased oil pressure-viscosity coefficient was observed. Instead, a faster running-in and moderate friction reduction were achieved by the ND in tests of used diesel engine components, which was attributed to the polishing effect. ND agglomeration seemed to a problem and could significantly impair the functionality and future research is needed to seek the mitigation.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2019

Toward A Precision Era Of Neutrino Oscillation Physics: Liquid Argon Scintillation Detector Development for DUNE and Neutrino Oscillation Studies with NOvA

NOvA is an accelerator-based high-energy particle physics experiment that studies oscillations in a beam of mostly muon (anti-)neutrinos, looking for the disappearance of muon (anti-)neutrinos and appearance of electron (anti-)neutrinos. This search is sensitive to several key neutrino oscillation parameters. After the completion of NOvA, DUNE will continue to study neutrino oscillations with a liquid argon time-projection chamber, which provides finer granularity of tracking than NOvA. Furthermore, the beam will be more powerful, the detector fiducial volume is approximately 3 times larger than the full NOvA detector, and the detector will be situated underground. DUNE is therefore expected to usher in a precision era of long-baseline neutrino oscillation physics. While the main signal from a liquid argon time-projection chamber is the ionization signal produced by the passage of charged particles, argon is also a copious source of scintillation. This light is useful for pro viding a precise event time. Scintillation light is potentially especially useful in non-beam studies in DUNE, such as atmospheric neutrinos, supernova neutrinos, and potential nucleon decay. In this dissertation, I will discuss both projects. In addition to a study of the drift in NOvA’s energy calibration, recent oscillation analysis is discussed, which finds a best fit at $\sin^2\theta_{23}=0.56^{+0.04}_{-0.03}$, $\Delta m^{2}_{32}=2.48^{+0.11}_{-0.06}\times10^{-3}\text{eV}^2$, $\delta_{CP}/\pi=0.0^{+1.3}_{-0.4}$, and prefers normal ordering at 1.9$\sigma$. Contributions to NOvA analysis will also be highlighted, especially methods used to perform separation of neutrinos and antineutrinos in the predominantly antineutrino beam for study. This wrong-sign component is initially used to provide further understanding of the beam components. Furthermore, characterization and prototype testing of photon detectors for DUNE is discussed. Finally, a study is performed with wrong-s ign separation techniques applied to the appearance signal i! n both NOvA and DUNE to create two samples: one enriched in signal and the other enriched in the wrong-sign oscillation appearance. Wrong-sign in the oscillation diminishes the sensitivity of the analysis, so this study aimed to determine if such a separation would enhance the sensitivity of the oscillation. Little benefit was found at the ultimate exposure with NOvA with the techniques currently available, but the study showed potential promise when applied to DUNE.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗