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DOE OSTI2024

Uncovering obscured phonon dynamics from powder inelastic neutron scattering using machine learning

The study of phonon dynamics is pivotal for understanding material properties, yet it faces challenges due to the irreversible information loss inherent in powder inelastic neutron scattering spectra and the limitations of traditional analysis methods. In this study, we present a machine learning framework designed to reveal obscured phonon dynamics from powder spectra. Using a variational autoencoder, we obtain a disentangled latent representation of spectra and successfully extract force constants for reconstructing phonon dispersions. Notably, our model demonstrates effective applicability to experimental data even when trained exclusively on physics-based simulations. The fine-tuning with experimental spectra further mitigates issues arising from domain shift. Analysis of latent space underscores the model’s versatility and generalizability, affirming its suitability for complex system applications. Furthermore, our framework’s two-stage design is promising for developing a universal pre-trained feature extractor. This approach has the potential to revolutionize neutron measurements of phonon dynamics, offering researchers a potent tool to decipher intricate spectra and gain valuable insights into the intrinsic physics of materials.

domain adaptation↗

DOE OSTI2024

Examining Graphite Degradation in Molten Salt Environments: A Chemical, Physical, and Material Analysis

Molten-salt reactors (MSRs) are Generation IV nuclear reactors that use liquid salt as a coolant and/or fuel. In several MSR designs, graphite serves as a moderator and/or reflector. However, due to limited experimental data and operational experience, our understanding of graphite behavior in molten salt environments remains incomplete. This report aims to identify the degradation mechanisms of nuclear graphite in MSRs, detail the mechanisms of each factor, and provide an initial assessment of their impact on the structural integrity of graphite components. This assessment is based on an extensive literature review and insights from subject matter experts. Furthermore, given the limited data, a modeling strategy using existing Grizzly software is proposed for a more thorough analysis where appropriate. Additionally, it presents mitigation strategies where applicable. The report covers physical degradation mechanisms such as infiltration, erosion, and abrasion, as well as chemical degradation mechanisms including fluorination, intercalation, corrosion, and oxidation. Molten salt can infiltrate the porous structure of graphite, leading to several detrimental effects. Entrapment of fissile products within the graphite pores can cause radiation damage and could pose challenges in the handling and disposal of contaminated components. The differential thermal expansion between the infiltrated salt and graphite, along with internal stress from pressurized molten salt and volumetric heating, can compromise the structural integrity of graphite. To mitigate these effects, employing ultra-fine graphite grades and applying sealants and coatings are effective strategies. A computational model based on coupled solid mechanics and heat transfer phenomena could be used to predict the internal stresses using Grizzly software. In pebble-bed MSRs, graphite fuel pebbles can cause abrasion against reactor components due to friction and wear. The severity of wear is influenced by various factors such as temperature, environment, and the presence of lubricants. Tribological studies reveal that higher temperatures and molten salt environments, such as FLiBe, significantly reduce wear rates compared to dry conditions. Additionally, the chemical composition of the salt can further optimize graphite's tribological performance. Long-term wear effects can be modeled by incorporating surface defects into the geometry and predict stresses under thermal and radiation effects using Grizzly software. Chemical degradation of graphite in a molten salt environment can occur through fluorination and intercalation. Fluorination can occur via replacement of hydrogen or oxygen atoms, or at the active sites, but does not cause structural degradation. Intercalation, on the other hand, can lead to exfoliation, where layers of graphite separate and peel away, damaging the graphite. Protective coatings can enhance graphite's resistance to intercalation. Graphite generally exhibits good chemical stability in molten salt environments, though it can corrode under specific conditions, particularly in the presence of impurities or oxidants. Studies have shown that protective coatings, such as plasma-sprayed partially stabilized zirconia (PSZ), can effectively prevent such degradation. Corrosion behavior varies significantly with different graphite grades and coating applications, underscoring the need for detailed studies on uncoated and coated graphite to understand and mitigate corrosion mechanisms in MSRs. Research indicates that the presence of oxidants and impurities can accelerate graphite degradation in molten salts, making it essential to explore acceptable impurity limits. Oxidation is another critical degradation mechanism, leading to weight loss and structural damage due to the formation of CO and CO 2 from the reaction of carbon atoms with oxygen. This process creates new porosity and compromises graphite's integrity. While extensive research on graphite oxidation has been conducted for gas-cooled reactors, studies specific to MSRs are limited. Findings from the coal industry suggest that molten alkali metal salts can significantly accelerate graphite oxidation, a hypothesis worth exploring for fluoride salts in MSRs. Understanding oxidation behavior in MSRs is vital for developing protective measures. The analysis of post-irradiated graphite from the MSRE experiment demonstrated exceptional chemical compatibility with molten fluoride salt, suggesting that the extent of chemical attack on graphite largely depends on the salt's infiltration capability. Therefore, the use of ultra-fine grade graphite could help mitigate chemical degradation effects. Existing oxidation modeling capabilities in Grizzly, which use reaction-diffusion equations to model graphite-air interactions, could be adapted to simulate the chemical degradation effects of graphite in molten salt environments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Component Criticality in BESS for Cybersecurity

Battery energy storage systems (BESS), inverters, and associated digital equipment are integral pieces of interdependent energy delivery systems. When considering the supply chain security of such systems, there is often a misplaced focus on the origin of energy generation and storage materials like battery cells, overlooking the more significant cyber risks that stem from digital power electronics control systems. Part of this misplaced focus is due to the relative costs of these components, with more attention given to expensive raw materials rather than the impactful digital elements themselves. The Idaho National Laboratory (INL) is addressing this gap in supply chain security through a systems-of-systems approach that considers the impact various components in digital energy systems can have should misoperation occur. Therefore, INL assigns a cyber criticality score based on quantitative analysis, which enables informed prioritization of mitigations and allows operators to reduce risk in light of the prevalence of a BESS and associated systems foreign supply chain.

25 ENERGY STORAGE↗

NASA NTRSDate not supplied

NASA Systems Engineering and Safety Culture: Aerospace Project Design and Implementation Challenges

Using Systems Engineering principles and the NASA Glenn Safety procedures and protocols, a rigorous method was developed to ensure safe testing and operation of a small, commercial off the shelf turbofan engine at the Aero-Acoustic Propulsion Laboratory (AAPL). The DGEN380 is a small, ~500-lbf thrust class, high-bypass, geared- turbofan engine with a separate flow nozzle. It is a modular, compact, lightweight turbofan with Full-Authority Digital Engine Control. It’s general characteristics make it an ideal candidate for utilization as a testbed for engine aero-acoustic technology maturation in a relevant performance environment. The DGEN380 is the core component of the DGEN Aero-propulsion Research Turbofan (DART) mobile test rig. The full presentation will describe the risk assessment and mitigation process applied to the DART by the project team. The identification and analysis of failure modes led to the development of risk mitigation plans, which include administrative, engineering, and physical controls for the safe operation of the DART test rig at the AAPL facility.

Systems Engineering, Aeronautics, safety↗

NASA NTRS2016

Addressing Thermal Model Run Time Concerns of the Wide Field Infrared Survey Telescope using Astrophysics Focused Telescope Assets (WFIRST-AFTA)

The Wide Field Infrared Survey Telescope using Astrophysics Focused Telescope Assets (WFIRST-AFTA) utilizes an existing 2.4 m diameter Hubble sized telescope donated from elsewhere in the federal government for near-infrared sky surveys and Exoplanet searches to answer crucial questions about the universe and dark energy. The WFIRST design continues to increase in maturity, detail, and complexity with each design cycle leading to a Mission Concept Review and entrance to the Mission Formulation Phase. Each cycle has required a Structural-Thermal-Optical-Performance (STOP) analysis to ensure the design can meet the stringent pointing and stability requirements. As such, the models have also grown in size and complexity leading to increased model run time. This paper addresses efforts to reduce the run time while still maintaining sufficient accuracy for STOP analyses. A technique was developed to identify slews between observing orientations that were sufficiently different to warrant recalculation of the environmental fluxes to reduce the total number of radiation calculation points. The inclusion of a cryocooler fluid loop in the model also forced smaller time-steps than desired, which greatly increases the overall run time. The analysis of this fluid model required mitigation to drive the run time down by solving portions of the model at different time scales. Lastly, investigations were made into the impact of the removal of small radiation couplings on run time and accuracy. Use of these techniques allowed the models to produce meaningful results within reasonable run times to meet project schedule deadlines.

Thermal Analysis↗

DOE OSTI2025

Consequence Based Framework for Deployment of Cloud Solutions in the Digital Energy Transition

This study proposes a framework for evaluating cloud computing deployment in the electric sector, focusing on the digital transition of energy systems. It assesses the implications of cloud technology adoption, particularly in terms of security, operational resilience, and efficiency. The paper introduces a method for consequence-driven risk analysis, enabling utilities to prioritize and mitigate potential threats effectively. It also discusses the shared responsibility model in cloud computing, highlighting the need for collaborative security efforts. The research aims to provide utilities with a strategic assessment tool for cloud adoption, emphasizing the importance of security culture in enhancing cloud computing's role in critical infrastructure.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Development of a neural network model for peeling–ballooning stability analysis in the KSTAR tokamak pedestals

The neural network model, MISHKA-NN is developed to mitigate the computational burden associated with the linear ideal magnetohydrodynamic (MHD) stability analysis of the pedestal based on the peeling–ballooning (P–B) model. By utilizing both 1D plasma profiles (current density, pressure gradient, and safety factor) and 0D parameters (plasma geometry, total current, and toroidal mode number), the model predicts linear growth rate of edge-localized ideal MHD instability in a given equilibrium state. By enabling the prediction of each instability within a second, the model reduces the time required for plotting a pedestal P–B stability diagram (j - α diagram) from approximately 100 CPU hours to a few CPU minutes. Notably, even with the utilization of parametric pressure and current profiles and plasma boundary shapes for the training dataset, the model shows a satisfactory level of performance in benchmarking the j - α diagram for the reconstructed equilibrium from a KSTAR tokamak experiment. We anticipate the model to serve as a versatile alternative to 2D linear MHD stability codes, alleviating numerical costs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Consequence Based Framework for Deployment of Cloud Solutions in the Digital Energy Transition

This study proposes a framework for evaluating cloud computing deployment in the electric sector, focusing on the digital transition of energy systems. It assesses the implications of cloud technology adoption, particularly in terms of security, operational resilience, and efficiency. The paper introduces a framework for consequence-driven applied risk analysis, enabling utilities to prioritize and mitigate potential threats effectively, and responsibly deploy cloud applications. It also discusses the shared responsibility model in cloud computing, highlighting the need for collaborative security efforts. The research aims to provide utilities with a strategic assessment tool for cloud adoption, emphasizing the importance of security culture in enhancing cloud computing's role in critical infrastructure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

An assessment of China’s methane mitigation potential and costs and uncertainties through 2060

Abstract China, the world’s largest methane emitter, is increasingly focused on methane mitigation in support of its climate goals, but gaps exist in the understanding of key methane sources, as well as mitigation opportunities and their associated uncertainties. We use a bottom-up modeling approach with updated methane emission projections and abatement cost analysis to account for additional sources, uncertainties, and mitigation measures in China’s energy and agricultural sectors. Here we show the significant cost-effective potential for reducing methane emissions in China by 2030, with 660 million tonnes of carbon dioxide equivalent possible with average negative abatement costs of US$6.40 per tonne CO 2 e. Most of this potential exists in the energy sector, particularly coal mining, but the greater potential will shift towards agriculture by 2060. Aquaculture and biochar applications in rice cultivation have net economic benefits but need greater support for deployment, while new mitigation measures will be needed for remaining emissions from enteric fermentation, rice cultivation, and wastewater.

Science & Technology - Other Topics↗

DOE OSTI2024

Could SBND-PRISM probe lepton flavor violation?

We investigate the possibility of using the Short-Baseline Near Detector (SBND) at Fermilab to constrain lepton flavor violating decays of pions and kaons. We study how to leverage SBND-PRISM, the use of the neutrino beam angular spread to mitigate systematic uncertainties, to enhance this analysis. We show that SBND-PRISM can put stringent limits on the flavor violating branching ratios BR ( π + → μ + ν e ) = 8.9 × 10 − 4 , BR ( K + → μ + ν e ) = 3.2 × 10 − 3 , improving previous constraints by factors 9 and 1.25, respectively. We also estimate the SBND-PRISM sensitivity to lepton number violating decays, BR ( π + → μ + ν ¯ e ) = 2.1 × 10 − 3 and BR ( K + → μ + ν ¯ e ) = 7.4 × 10 − 3 , though not reaching previous Big European Bubble Chamber limits. Last, we identify several ways how the SBND collaboration could improve this analysis. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Climate-focused Life Cycle Assessments of Biochar Production by an ARTi Pyrolysis Reactor and an Air Burners CharBoss® Air Curtain Incinerator

This report presents a limited, dynamic, consequential life cycle assessment (LCA) to compare the climate impacts of two biochar production methods using wood as a feedstock. The two methods are a pyrolysis reactor supplied by ARTi (Des Moines, IA, https://www.arti.com/) and a T26 CharBoss® air curtain incinerator supplied by Air Burners, Inc. (Palm City, FL, https://airburners.com/). The underlying LCA methodology is described in a chapter by Singh et al. (2024) and implemented in the form of a workbook freely available as online Supplementary Material for the chapter. For the convenience of the reader, a pre-print version of the relevant portions of Singh et al. (2024) is attached as Appendix A to this report. Specific assumptions and calculations to obtain the input parameters used in this LCA for each production method are described in the Methodology section below. This implementation of the LCA considers emissions associated with biomass loading, comminution and conversion, biochar decay in soil, and the production and use of bioenergy generated during the conversion process. The LCA is “limited” in that upstream emissions associated with biomass production, harvest, transportation, and land-use change, as well as embodied emissions in equipment and facilities are not considered. Similarly, downstream emissions from biochar transport and incorporation into soil (i.e., tillage), and the impact of biochar soil amendments on soil greenhouse gas (GHG) emissions (other than CO 2 from biochar decay in soil), soil organic carbon stocks, crop response, and surface albedo are not considered. As the intent is to compare different biochar production methods in a simple unbiased manner, the primary alternative biomass pathway for the LCA is immaculate combustion, which is the hypothetical instantaneous and complete conversion of carbon in the biomass to CO 2 at time zero without generation of any other greenhouse gases or aerosols (GHGAs) or any useful bioenergy. Use of this pathway provides relative values for the production methods and, when the embodied emissions are similar and the same feedstock is used, these relative values are reasonable approximations for those attained with a full LCA.

09 BIOMASS FUELS↗

NASA NTRS1999

El Nino during the 1990s: Harbinger of Climatic Change or Normal Fluctuation?

Today, El Nino refers to the extreme warming episodes of the globally effective, coupled ocean-atmospheric interaction commonly known as ENSO (i.e., "El Nino-Southern Oscillation"). Concerning its observed decadal frequency and severity, El Nino during the 1990s has often been regarded as being anomalous. Results of analysis reported herein, however, appear to mitigate this belief. For example, regarding the frequency and severity of El Nino, the decade of the 1990s is found to compare quite favorably with that of preceding decades. Hence, the 1990s probably should not be regarded as being anomalous. On the other hand, the number of El Nino-related months per decade has sharply increased during the 1990s, as compared to the preceding four decades, hinting of a marginally significant upward trend. Perhaps, this is an indication that the Earth is now experiencing an ongoing global climatic change. Continued vigilance during the new millennium, therefore, is of paramount importance for determining whether or not this "hint" of a global change is real or if it merely reflects a normal fluctuation of climate.

Wilson, Robert M.↗

NASA NTRS2000

El Nino During the 1990's: Harbinger of Climatic Change or Normal Fluctuation?

Wilson, Robert M.↗

NASA NTRS2000

El Nino During the 1990s: Harbinger of Climatic Change or Normal Fluctuation

Wilson, Robert M.↗

NASA NTRS2005

Vehicle Assembly Building Fire Mishap Investigation Report. Volume I of V

On January 13, 2005, at approximately 1355, smoke was noticed on the 4th floor of D Tower in the Vehicle Assembly Building (VAB). Subsequently, a 911 call was made, a fire alarm pull station was activated, and the VAB was evacuated. The source of the smoke was determined to be a fire on the Low Bay M/N section roof near the Launch Control Center (LCC) Crossover. Due to the high visibility of the mishap, the KSC Center Director appointed a Mishap Investigation Board. Damage to government property was limited to the roof and a small number of ceiling tiles that were damaged by the fire fighters during the response. At the time of the mishap, there were hazardous commodities in the VAB including Solid Rocket Motors (SRMs) with open grain due to Solid Rocket Booster (SRB) igniter inspections. The Board agrees with the SGS Fire Services' theory that large amounts of smoke concentrated in the VAB D Tower and moved downward into the cable tunnel. The Board determined the proximate cause of this incident to be torching. HRI was installing a torch applied roof membrane which resulted in the ignition of combustible materials under the membrane near a wooden roof expansion joint. The torch applied roofing method is a universally accepted safe industry practice when applied to non-combustible surfaces. The combination of an open flame torch and combustible materiaLs presents an increased level of risk even with skilled applicators. The addition of high winds to this combination results in a risk the Board thinks can not be adequately mitigated. An appropriate risk assessment and analysis must be performed on the proposed roofing method to be used on high visibility facilities which represent unique national assets even when using common industry practices for repair and modification. The Board identified three root causes which contributed to or created the proximate cause and, if eliminated or modified, would have prevented the mishap: 1. Combustible materials in existing roof system 2. Wind speed and direction 3. Inadequate fire watch technique. Two contributing factors were identified which may have contributed to the occurrence but, if eliminated or modified, would not have prevented the occurrence: 1. HRI rushed to dry in and seal the roof on January 13 because heavy rain was predicted for the next day 2. No guidance on torching in windy conditions A total of 17 significant observations were noted during this investigation, which could lead to another mishap, or increase the severity of a mishap, but were not contributing factors in this mishap.

Kight, Ira↗

NASA NTRS2012

Spaceflight Ground Support Equipment Reliability & System Safety Data

Presented were Reliability Analysis, consisting primarily of Failure Modes and Effects Analysis (FMEA), and System Safety Analysis, consisting of Preliminary Hazards Analysis (PHA), performed to ensure that the CoNNeCT (Communications, Navigation, and Networking re- Configurable Testbed) Flight System was safely and reliably operated during its Assembly, Integration and Test (AI&T) phase. A tailored approach to the NASA Ground Support Equipment (GSE) standard, NASA-STD-5005C, involving the application of the appropriate Requirements, S&MA discipline expertise, and a Configuration Management system (to retain a record of the analysis and documentation) were presented. Presented were System Block Diagrams of selected GSE and the corresponding FMEA, as well as the PHAs. Also discussed are the specific examples of the FMEAs and PHAs being used during the AI&T phase to drive modifications to the GSE (via "redlining" of test procedures, and the placement of warning stickers to protect the flight hardware) before being interfaced to the Flight System. These modifications were necessary because failure modes and hazards were identified during the analysis that had not been properly mitigated. Strict Configuration Management was applied to changes (whether due to upgrades or expired calibrations) in the GSE by revisiting the FMEAs and PHAs to reflect the latest System Block Diagrams and Bill Of Material. The CoNNeCT flight system has been successfully assembled, integrated, tested, and shipped to the launch site without incident. This demonstrates that the steps taken to safeguard the flight system when it was interfaced to the various GSE were successful.

Fernandez, Rene↗

NASA NTRS2021

Conceptualizing the Impact of Dust Contaminated Infrared Radiances on Data Assimilation for Numerical Weather Prediction

Numerical weather prediction systems depend on Hyperspectral Infrared Sounder (HIS) data, yet the impacts of dust-contaminated HIS radiances on weather forecasts has not been quantified. To determine the impact of dust aerosol on HIS radiance assimilation, we use a modified radiance assimilation system employing a one-dimensional variational assimilation system (1DVAR) developed under the European Organisation for the Exploitation of Meteorological Satellites (EUMETSAT) Numerical Weather Prediction–Satellite Application Facility (NWP-SAF) project, which uses the Radiative Transfer for TOVS (RTTOV). Dust aerosol impacts on analyzed temperature and moisture fields are quantified using synthetic HIS observations from rawinsonde, Micropulse Lidar Network (MPLNET), and Aerosol Robotic Network (AERONET). Specifically, a unit dust aerosol optical depth (AOD) contamination at 550 nm can introduce larger than 2.4 and 8.6 K peak biases in analyzed temperature and dewpoint, respectively, over our test domain. We hypothesize that aerosol observations, or even possibly forecasts from aerosol predication models, may be used operationally to mitigate dust induced temperature and moisture analysis biases through forward radiative transfer modeling.

Jared W. Marquis↗

NASA NTRS2021

Conceptualizing the Impact of Dust-Contaminated Infrared Radiances on Data Assimilation for Numerical Weather Prediction

Jared W Marquis↗