Results for “material traceability” — Page 5

DOE OSTI2025

Three rate-determining protein roles in photosynthetic O 2 -evolution addressed by time-resolved experiments on genetically modified photosystems

Light-driven water splitting by plants, algae and cyanobacteria is pivotal for global bioenergetics and biomass formation. A manganese cluster bound to the photosystem II proteins catalyzes the complex reaction at high rate, but the rate-determining factors are insufficiently understood. Here we trace the oxygen-evolution transition by time-resolved polarography and infrared spectroscopy for cyanobacterial photosystems genetically modified at two strategic sites, complemented by computational chemistry. Our results highlight three rate-determining roles of the protein environment of the metal cluster: acceleration of proton-coupled electron transfer, acceleration of substrate-water insertion after O 2 -formation, and balancing of rate-determining enthalpic and entropic contributions. Whereas in general the substrate-water insertion step may be unresolvable in time-resolved experiments, here it likely becomes traceable because of deceleration by genetic modification. Our results may stimulate new time-resolved experiments on substrate-water insertion in photosynthesis, clarification of enthalpy-entropy compensation in enzyme catalysis, and knowledge-guided development of inorganic catalyst materials.

Bioenergetics↗

NASA NTRS1983

Development of deployable structures for large space platform systems. Volume 1: Executive summary

The preponderance of study effort was devoted toward the deployable platform systems study which culminated in the detailed design of a ground test article for future development testing. This design is representative of a prototype square-truss, single-fold building-block design that can construct deployable platform structures. This prototype design was selected through a comprehensive and traceable selection process applied to eight competitive designs. The selection process compared the competitive designs according to seven major selection criteria, i.e., design versatility, cost, thermal stability, meteoroid impact significance, reliability, performance predictability, and orbiter integration suitability. In support of the foregoing, a materials data base, and platform systems technology development needs were established. An erectable design of an OTV hangar was selected and recommended for further design development. This design was selected from five study-developed competitive single-fold and double-fold designs including hard-shell and inflatable designs. Also, two deployable manned module configurations, i.e., a hard-shell and an inflatable design were each developed to the same requirements as the composite of two Space station baseline habitat modules.

Greenberg, H. S.↗

NASA NTRS2010

Boundary Layer Protuberance Simulations in Channel Nozzle Arc-Jet

Two protuberance designs were modeled in the channel nozzle of the NASA Johnson Space Center Atmospheric Reentry Materials and Structures Facility with the Data-Parallel Line Relaxation computational fluid dynamics code. The heating on the protuberance was compared to nominal baseline heating at a single fixed arc-jet condition in order to obtain heating augmentation factors for flight traceability in the Boundary Layer Transition Flight Experiment on Space Shuttle Orbiter flights STS-119 and STS-128. The arc-jet simulations were performed in conjunction with the actual ground tests performed on the protuberances. The arc-jet simulations included non-uniform inflow conditions based on the current best practices methodology and used variable enthalpy and constant mass flow rate across the throat. Channel walls were modeled as fully catalytic isothermal surfaces, while the test section (consisting of Reaction Cured Glass tiles) was modeled as a partially catalytic radiative equilibrium wall. The results of the protuberance and baseline simulations were compared to the applicable ground test results, and the effects of the protuberance shock on the opposite channel wall were investigated.

Marichalar, J. J.↗

DOE OSTI2024

4th Big Data for Nuclear Power Plants Workshop 2023

The Ohio State University and Idaho National Laboratory organized the 4 th Big Data for Nuclear Power Plants Workshop in November, 2023 in Columbus, Ohio. Workshop topics were chosen to understand the challenges and gaps that need to be addressed to maximize the impact of data on the nuclear industry, as well as the associated applications and risks. Discussions were focused around six specific application areas: Operation and Maintenance; Machine Learning in Nuclear Materials and Advanced Manufacturing; Cybersecurity; High-Performance Computing and Massive Computation; Big Data and Digital Twins; and Nuclear Non-Proliferation. The opportunities, challenges, and risks identified in the six focus areas explored in this workshop are diverse, but some common themes emerge, such as the importance of data integrity, quality, coverage, privacy, and traceability. Big data and AI/ML tools can be leveraged to reduce costs, optimize human tasking, and reduce human error across various application areas. In order for the nuclear industry to benefit from big data and advanced analytic capabilities, it is essential to address challenges and risks, such as data privacy, model reliability, and computational resource availability. Learning from other industries that have successfully implemented big data and AI/ML technologies, like the aerospace industry, can help the nuclear industry successfully integrate these technologies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2004

Brayton Power Conversion System Study to Advance Technology Readiness for Nuclear Electric Propulsion

Recently, there has been significant interest within the aerospace community to develop space based nuclear power conversion technologies especially for exploring the outer planets of our solar system where the solar energy density is very low. To investigate these technologies NASA awarded several contracts under Project Prometheus, the Nuclear Systems Program. The studies described in this paper were performed under one of those contracts, which was to investigate the use of a nuclear power conversion system based on the closed Brayton cycle (CBC).The investigation performed included BPCS (Brayton Power Conversion System) trade studies to minimize system weight and radiator area and advance the state of the art of BPCS technology. The primary requirements for studies were a power level of 100 kWe (to the PPU), a low overall power system mass and a lifetime of 15 years (10 years full power). For the radiation environment, the system was to be capable of operation in the generic space environment and withstand the extreme environments surrounding Jupiter. The studies defined a BPCS design traceable to NEP (Nuclear Electric Propulsion) requirements and suitable for future missions with a sound technology plan for technology readiness level (TRL) advancement identified. The studies assumed a turbine inlet temperature approx. 100 C above the current the state of the art capabilities with materials issues and related development tasks identified. Analyses and evaluations of six different HRS (heat rejection system) designs and three primary power management and distribution (PMAD) configurations will be discussed in the paper.

Patrick E. Frye↗

NASA NTRS1992

An Automated Thermocouple Calibration System

An Automated Thermocouple Calibration System (ATCS) was developed for the unattended calibration of type K thermocouples. This system operates from room temperature to 650 C and has been used for calibration of thermocouples in an eight-zone furnace system which may employ as many as 60 thermocouples simultaneously. It is highly efficient, allowing for the calibration of large numbers of thermocouples in significantly less time than required for manual calibrations. The system consists of a personal computer, a data acquisition/control unit, and a laboratory calibration furnace. The calibration furnace is a microprocessor-controlled multipurpose temperature calibrator with an accuracy of +/- 0.7 C. The accuracy of the calibration furnace is traceable to the National Institute of Standards and Technology (NIST). The computer software is menu-based to give the user flexibility and ease of use. The user needs no programming experience to operate the systems. This system was specifically developed for use in the Microgravity Materials Science Laboratory (MMSL) at the NASA LeRC.

Bethea, Mark D.↗

NASA NTRS2009

Boundary Layer Protuberance Simulations in Channel Nozzle Arc Jet

Various protuberance heights and shapes were modeled in the channel nozzle of the NASA Johnson Space Center Atmospheric Reentry Materials and Strictures Facility with the Data- Parallel Line Relaxation computational fluid dynamics code. The heating on the protuberance was compared to baseline (no protuberance) heating at a single fixed arc jet condition in order to obtain heating augmentation factors that will be used for flight traceability in the Boundary Layer Transition Flight Experiment on Space Shuttle Orbiter flights STS-119 (completed) and STS-128 (future flight). The arc jet simulations were performed in conjunction with the actual ground tests performed on the flight version (selected height and shape) of the protuberance. Thearc jet simulations for the final (flight version) protuberance included non-uniform inflow conditions beginning at the channel nozzle throat. The 2D inflow condition was modeled based on the current best practices methodology and used variable enthalpy and mass flow rate across the throat. Channel walls were modeled as fully catalytic isothermal surfaces, while the test section (consisting of Reaction Cured Glass tiles) was modeled as a partially catalytic radiative equilibrium wall. The results of the protuberance and baseline simulations were compared to the applicable ground test results. In addition, the obtained heating augmentation factors were compared to the factors derived from the STS-119 flight data. The effects of the protuberance shock on the opposite channel wall were also investigated.

Larin, M. E.↗

NASA NTRSDate not supplied

ARCTRON: A Rapid Experimental Proving Ground for TPS Experiments and Arcjet Technology Development

Innovation in high-enthalpy facilities is fundamentally limited by the cost and risk of experimentation. New concepts for plasma control, diagnostics, facility components, and plasma-material interaction often require repeated iterations that are impractical to perform in production arcjets. As a result, promising ideas may remain unexplored or reach operational facilities only after significant development effort. ARCTRON is being developed as a rapid experimental proving ground where new ideas in plasma science, arcjet engineering, diagnostics, and material response can be conceived, tested, and quantitatively evaluated before transition to large-scale facilities. The platform combines radio-frequency (RF) and DC arc plasma generation, externally applied magnetic fields, configurable gas composition, reduced-pressure operation, laser heating, electrical biasing, and modular diagnostic access. These capabilities permit the plasma source, applied forcing, test article, and measurement configuration to be modified independently, allowing individual physical mechanisms to be isolated more readily than in a traditional test environment. One class of investigations addresses fundamental plasma-surface interaction physics. Conventional material tests often expose a specimen simultaneously to convective heating, reactive species, pressure, shear, radiation, and surface-current effects. The resulting material response may be measured accurately, while the contribution of each mechanism remains difficult to identify. ARCTRON is designed to vary these effects selectively. Plasma chemistry can be changed independently through configurable gas mixtures; magnetic fields and electrical biasing can modify charged-particle transport; laser heating can provide a non-plasma thermal input; and pressure, flow, and discharge mode can be varied over a broad operating space. This enables controlled tests of hypotheses involving surface catalycity, reactive-species transport, plasma-assisted oxidation, electromagnetic effects, shear, and the relative contributions of thermal and chemical loading. A second class of investigations enabled by this approach concerns the engineering of high-enthalpy facilities themselves. Arc-heated facilities are limited by electrode erosion, unstable arc attachment, localized heating, and damage to nozzles and other plasma-facing components. ARCTRON provides a lower-cost environment for testing concepts intended to mitigate these limitations. Candidate investigations include the use of applied magnetic fields to alter current paths and reduce plasma interaction with nozzle walls, ExB forcing to introduce controlled plasma rotation, magnetic or geometric approaches for distributing arc attachment, and alternative electrode or discharge configurations intended to reduce erosion and improve stability. Because the platform is reconfigurable, these concepts can be evaluated through repeated design--build--test cycles before they are considered for implementation in operational facilities. The platform also supports the development and validation of diagnostics that may be difficult to introduce initially into a large arcjet. Current and planned measurements include spatially resolved optical emission spectroscopy, electrostatic probes, fast imaging, pyrometry, calorimetry, laser-induced fluorescence, and absorption spectroscopy. These diagnostics are intended not merely to document a nominal operating condition, but to constrain the local plasma state and its relationship to component or material response. The modular facility geometry allows diagnostic concepts to be tested, calibrated, and compared under repeatable conditions before deployment in more demanding environments. ARCTRON is also supported by an integrated software suite. Automated control and data acquisition allow discharge parameters, gas composition, magnetic fields, diagnostic timing, and test configuration to be recorded as part of each experiment (STARDAC - Software for Testing, Analysis, Research Data, and Control). The Backend for Experiment Analysis, Storage, and Traceability (BEAST) is a database that provides the infrastructure needed to associate heterogeneous measurements with facility configuration, specimen identity, calibration state, geometry, and analysis provenance. This backend is particularly important for exploratory campaigns, in which many related configurations may be tested, and the value of an individual experiment depends on its connection to earlier and subsequent iterations. Complementary analysis capabilities, including computer-vision-based transient response measurements (arcjetCV), three-dimensional surface reconstruction (STARSCAN), and model-based Bayesian inference (SHIELD), and tomography data analysis (TOMATO, PuMA) can be incorporated when required by a specific hypothesis without becoming the focus of every campaign. The central objective of ARCTRON is therefore not to maximize heat flux or reproduce a complete flight environment. Its purpose is to reduce the cost and time required to ask consequential questions about plasma behavior, plasma-facing materials, diagnostics, and arcjet technology. By providing a controlled environment for rapid reconfiguration, mechanism isolation, quantitative measurement, and iterative engineering, ARCTRON can help mature concepts that would otherwise remain too speculative or too risky for evaluation in production facilities. The resulting knowledge can then guide the design of material models, focus test objectives in larger arcjets, reduce facility-development risk, and improve the physical basis of high-enthalpy ground testing. This work will present the ARCTRON architecture, operating modes, diagnostic suite, and digital experimental workflow. Initial experimental results from the first integrated operation of the facility will be presented, including flow characterization, power limitations, and deployment of the initial diagnostic suite. Ongoing development efforts aimed at catalycity characterization, magnetic plasma control, and advanced optical diagnostics will also be discussed, illustrating how the platform supports rapid iteration from concept to experiment.

experimental diagnostics↗

NASA NTRSDate not supplied

ARCTRON: A Rapid Experimental Proving Ground for TPS Experiments and Arcjet Technology Development

Innovation in high-enthalpy facilities is fundamentally limited by the cost and risk of experimentation. New concepts for plasma control, diagnostics, facility components, and plasma-material interaction often require repeated iterations that are impractical to perform in production arcjets. As a result, promising ideas may remain unexplored or reach operational facilities only after significant development effort. ARCTRON is being developed as a rapid experimental proving ground where new ideas in plasma science, arcjet engineering, diagnostics, and material response can be conceived, tested, and quantitatively evaluated before transition to large-scale facilities. The platform combines radio-frequency (RF) and DC arc plasma generation, externally applied magnetic fields, configurable gas composition, reduced-pressure operation, laser heating, electrical biasing, and modular diagnostic access. These capabilities permit the plasma source, applied forcing, test article, and measurement configuration to be modified independently, allowing individual physical mechanisms to be isolated more readily than in a traditional test environment. One class of investigations addresses fundamental plasma-surface interaction physics. Conventional material tests often expose a specimen simultaneously to convective heating, reactive species, pressure, shear, radiation, and surface-current effects. The resulting material response may be measured accurately, while the contribution of each mechanism remains difficult to identify. ARCTRON is designed to vary these effects selectively. Plasma chemistry can be changed independently through configurable gas mixtures; magnetic fields and electrical biasing can modify charged-particle transport; laser heating can provide a non-plasma thermal input; and pressure, flow, and discharge mode can be varied over a broad operating space. This enables controlled tests of hypotheses involving surface catalycity, reactive-species transport, plasma-assisted oxidation, electromagnetic effects, shear, and the relative contributions of thermal and chemical loading. A second class of investigations enabled by this approach concerns the engineering of high-enthalpy facilities themselves. Arc-heated facilities are limited by electrode erosion, unstable arc attachment, localized heating, and damage to nozzles and other plasma-facing components. ARCTRON provides a lower-cost environment for testing concepts intended to mitigate these limitations. Candidate investigations include the use of applied magnetic fields to alter current paths and reduce plasma interaction with nozzle walls, ExB forcing to introduce controlled plasma rotation, magnetic or geometric approaches for distributing arc attachment, and alternative electrode or discharge configurations intended to reduce erosion and improve stability. Because the platform is reconfigurable, these concepts can be evaluated through repeated design--build--test cycles before they are considered for implementation in operational facilities. The platform also supports the development and validation of diagnostics that may be difficult to introduce initially into a large arcjet. Current and planned measurements include spatially resolved optical emission spectroscopy, electrostatic probes, fast imaging, pyrometry, calorimetry, laser-induced fluorescence, and absorption spectroscopy. These diagnostics are intended not merely to document a nominal operating condition, but to constrain the local plasma state and its relationship to component or material response. The modular facility geometry allows diagnostic concepts to be tested, calibrated, and compared under repeatable conditions before deployment in more demanding environments. ARCTRON is also supported by an integrated software suite. Automated control and data acquisition allow discharge parameters, gas composition, magnetic fields, diagnostic timing, and test configuration to be recorded as part of each experiment (STARDAC - Software for Testing, Analysis, Research Data, and Control). The Backend for Experiment Analysis, Storage, and Traceability (BEAST) is a database that provides the infrastructure needed to associate heterogeneous measurements with facility configuration, specimen identity, calibration state, geometry, and analysis provenance. This backend is particularly important for exploratory campaigns, in which many related configurations may be tested, and the value of an individual experiment depends on its connection to earlier and subsequent iterations. Complementary analysis capabilities, including computer-vision-based transient response measurements (arcjetCV), three-dimensional surface reconstruction (STARSCAN), and model-based Bayesian inference (SHIELD), and tomography data analysis (TOMATO, PuMA) can be incorporated when required by a specific hypothesis without becoming the focus of every campaign. The central objective of ARCTRON is therefore not to maximize heat flux or reproduce a complete flight environment. Its purpose is to reduce the cost and time required to ask consequential questions about plasma behavior, plasma-facing materials, diagnostics, and arcjet technology. By providing a controlled environment for rapid reconfiguration, mechanism isolation, quantitative measurement, and iterative engineering, ARCTRON can help mature concepts that would otherwise remain too speculative or too risky for evaluation in production facilities. The resulting knowledge can then guide the design of material models, focus test objectives in larger arcjets, reduce facility-development risk, and improve the physical basis of high-enthalpy ground testing. This work will present the ARCTRON architecture, operating modes, diagnostic suite, and digital experimental workflow. Initial experimental results from the first integrated operation of the facility will be presented, including flow characterization, power limitations, and deployment of the initial diagnostic suite. Ongoing development efforts aimed at catalycity characterization, magnetic plasma control, and advanced optical diagnostics will also be discussed, illustrating how the platform supports rapid iteration from concept to experiment.

experimental diagnostics↗

DOE OSTI2020

Development of the Mobile Systems for Conditioning of Disused Sealed Radioactive Sources in Serbia - 20105

Sealed radioactive sources (SRS) are being used worldwide in the field of medicine, agriculture, industry and research. They can be found in mobile as well as stationary devices. SRS contains radioactive material that is (a) permanently sealed in a capsule or (b) closely bounded and in a solid form. The capsule or material of an SRS should be strong enough to maintain leak tightness under the conditions of use and purpose for which the source was designed, also in case of accidents. In this case only emitted radiation is utilized. Firstly, the hazard from external radiation has to be considered, but the possibility of contamination due to fracture of the capsule should not be disregarded. The radioactive sources are composed of the radiating isotope contained in the filling medium, the single or double isotope holder that partially or totally surrounds the filling medium, the outer cover that contains the parts mentioned above and the capsule closed airtightly by welding or using some other method. The capsule must be tested for leakage periodically. If the SRS is no longer needed (e.g. replaced by a different technique) or it becomes useless for the intended application (e.g. the activity becomes too weak, the equipment containing the source works poorly or becomes obsolete, the source is damaged or leaking) it is considered disused. Disused sealed radioactive sources (DSRS) are typically conditioned and disposed if a facility is available. If the disposal option is not available, conditioned DSRS should be stored under proper conditions. In some cases, the radionuclide(s) in DSRS can be recovered/recycled or the DSRS can be repurposed for other applications. Conditioning of DSRS ensures containment of the radioactive material, provides confinement for leaking sources, provides sufficient radiation shielding, reduces storage/disposal volume by allowing consolidation of multiple sources into a single storage/disposal container, facilitates transport operations and contributes to safety and security as well. Typically, conditioning technologies are deployed either as permanently installed stationary systems in centralized or mobile on-site waste processing facilities, or in a mobile configuration. Centralized stationary facilities provide a single processing location for multiple users that requires transport of the waste to the facility. On the other hand, mobile systems may be provided for the selection and application of the optimum technology for a specific waste stream (such as DSRS) by bringing the process to the point where the waste is generated. In addition, mobile systems could offer additional flexibility by sharing equipment among multiple waste generating sites for processing campaigns that vary in duration, from very short periods to several years. The term 'mobile processing system' refers to any radioactive waste processing system or component which is designed to be transportable and which is not considered permanently installed. Two mobile system for conditioning of disused sealed radioactive sources are developed in the Public Company Nuclear Facilities of Serbia. Development of these mobile systems was supported by SRB9005 national project via Technical Cooperation of the IAEA. The first mobile system, built inside the 20 feet ISO container, will be used for conditioning of DSRS category 3 to 5. The second mobile system, built inside the 7 m long vehicle (Iveco Daily Van), will be used for dismantling of ionizing smoke detectors mostly with Am-241 sources. Designs of the mobile systems were defined in cooperation with two companies from Belgium (Belgoprocess and Leniko) and a Croatian company Ekoteh as well as with the support of the IAEA experts. The generic safety assessment and operational procedures for the mobile systems are developed. Based on safety assessment the acceptance criteria and operational limits and conditions are established. Operational procedures include: (a) equipment and material requirements, (b) assembling procedure of the mobile unit, (c) procedure for acceptance of devices for dismantling and conditioning, (d) dismantling procedure for devices to recover the DSRS, (e) characterization of DSRS, (f) encapsulation procedure of DSRS, (g) disassembling procedure of the mobile unit, and (h) keeping records, identification and traceability. In addition, radiation safety, health safety, security and emergency preparedness plans are prepared. The generic safety assessment and operational procedures could be updated with site specific requirements, DSRS inventory, and different needs for future customers. Developed mobile systems could be used in all situations when it is feasible to perform conditioning of DSRS on the spot in the county and worldwide. Development of these mobile units was just the first step to create the Reference Center for Radioactive Waste Treatment and Disused Radioactive Sources Conditioning for Small Facilities which can become a regional training center in the future, and/or as a tool for comprehensive national search and secure programmes. In the next phases development of e-learning platforms and blended learning packages as well as application for the IAEA Qualified Technical Centre (QTC) for the management of DSRS is foreseen. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

U-10Mo Monolithic Fuel Qualification Plan

The Material Management and Minimization (M3) Program’s primary objective within the U.S. Department of Energy/National Nuclear Security Administration is to achieve permanent threat reduction by minimizing and when possible, eliminating weapon-usable nuclear material around the world. Under M3’s Office of Conversion, the U.S. High Performance Research Reactor (USHPRR) Project, is pursuing a fuel qualification and licensing effort focused on converting high-performance research reactors in the United States from using highly enriched uranium (HEU) fuel to using low-enriched uranium (LEU) fuel. The body of this document is focused on defining the activities required for generic qualification of high density, LEU fuel that then allows reactor conversions to proceed for the four high-performance research reactors and the critical assembly that will operate using the U-10Mo monolithic fuel design (see Subsection 1.3): MITR, MURR, NBSR, ATR, and ATRC. Fuel qualification in this report means generic fuel acceptance of the U-10Mo monolithic fuel form by the NRC for use in reactor conversions in the United States, which allows the fuel to be used in subsequent reactor specific licensing requests. The U 10Mo Monolithic Fuel Research, Development, and Qualification Plan utilizes the functions and requirements of the USHPRR Project that was established in the Functions and Requirements Document (F&RD) [1] and expands on these requirements to ensure that planned tests have traceable results that will ensure the requirement has been met. The methods by which data will be collected to show that these requirements have been met are described in this document.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Versailles Project on Advanced Materials and Standards interlaboratory study on intensity calibration for x-ray photoelectron spectroscopy instruments using low-density polyethylene

We report the results of a Versailles Project on Advanced Materials and Standards interlaboratory study on the intensity scale calibration of x-ray photoelectron spectrometers using low-density polyethylene (LDPE) as an alternative material to gold, silver, and copper. An improved set of LDPE reference spectra, corrected for different instrument geometries using a quartz-monochromated Al Kα x-ray source, was developed using data provided by participants in this study. Using these new reference spectra, a transmission function was calculated for each dataset that participants provided. When compared to a similar calibration procedure using the NPL reference spectra for gold, the LDPE intensity calibration method achieves an absolute offset of ~3.0% and a systematic deviation of ±6.5% on average across all participants. For spectra recorded at high pass energies (≥90 eV), values of absolute offset and systematic deviation are ~5.8% and ±5.7%, respectively, whereas for spectra collected at lower pass energies (<90 eV), values of absolute offset and systematic deviation are ~4.9% and ±8.8%, respectively; low pass energy spectra perform worse than the global average, in terms of systematic deviations, due to diminished count rates and signal-to-noise ratio. Differences in absolute offset are attributed to the surface roughness of the LDPE induced by sample preparation. We further assess the usability of LDPE as a secondary reference material and comment on its performance in the presence of issues such as variable dark noise, x-ray warm up times, inaccuracy at low count rates, and underlying spectrometer problems. In response to participant feedback and the results of the study, we provide an updated LDPE intensity calibration protocol to address the issues highlighted in the interlaboratory study. Finally, we also comment on the lack of implementation of a consistent and traceable intensity calibration method across the community of x-ray photoelectron spectroscopy (XPS) users and, therefore, propose a route to achieving this with the assistance of instrument manufacturers, metrology laboratories, and experts leading to an international standard for XPS intensity scale calibration.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Toward designing effective exascale scientific computing workflows: experiences and best practices

Many fields within scientific computing have embraced advances in big-data analysis and machine learning, which often requires the deployment of large, distributed and complicated workflows that may combine training neural networks, performing simulations, running inference, and performing database queries and data analysis in asynchronous, parallel and pipelined execution frameworks. Such a shift has brought into focus the need for scalable, efficient workflow management solutions with reproducibility, error and provenance handling, traceability, and checkpoint-restart capabilities, among other needs. Here, we discuss challenges and best-practices for deploying exascale-generation computational science workflows on resources at the Oak Ridge Leadership Computing Facility (OLCF). We present our experiences with large-scale deployment of distributed workflows on the Summit supercomputer, including for bioinformatics and computational biophysics, materials science, and deep learning model optimization. We also present problems and solutions created by working within a Python-centric software base on traditional HPC systems, and discuss steps that will be required before the convergence of HPC, AI, and data science can be fully realized. Our results point to a wealth of exciting new possibilities for harnessing this convergence to tackle new scientific challenges.

Coletti, Mark↗

DOE OSTI2024

Solid, structured composite neutron detectors with high dynamic range capability

Neutron detectors are essential across disciplines such as fundamental science, nuclear security, safeguards, and civilian applications. While 3 He-filled gas proportional counters have long been revered for their efficacy in detecting thermal neutrons and praised for their efficiency, neutron/gamma discrimination, and stability, the scarcity of 3He has spurred a search for alternatives. Here, we explore a solid structured scintillating particle composite (SPC) consisting of 6 Li-containing scintillating glass particles within an acrylic matrix as a neutron detector for high dynamic range applications. We show for the first time that an SPC neutron detector can boast an intrinsic detection efficiency of 0.261% for pure 252 Cf fission neutrons and an overall neutron detection efficiency of (0.546 ± 0.003)% at the Neutron Free-in-Air facility while being able to function in an intense gamma-ray environment. We also show that the SPC neutron detector supports fast neutron capture times and enables a dual-readout scheme that extends the detector dynamic range to high incident neutron fluxes. A scalable fabrication process allows for tailoring the SPC detector properties to the requirements of specific applications. Good agreement is found between the experimental results taken with a National Institute of Standards and Technology traceable 252 Cf source and the coupled MCNP6 and optical-ray-tracing simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS2007

A Risk-Based Approach for Aerothermal/TPS Analysis and Testing

The current status of aerothermal and thermal protection system modeling for civilian entry missions is reviewed. For most such missions, the accuracy of our simulations is limited not by the tools and processes currently employed, but rather by reducible deficiencies in the underlying physical models. Improving the accuracy of and reducing the uncertainties in these models will enable a greater understanding of the system level impacts of a particular thermal protection system and of the system operation and risk over the operational life of the system. A strategic plan will be laid out by which key modeling deficiencies can be identified via mission-specific gap analysis. Once these gaps have been identified, the driving component uncertainties are determined via sensitivity analyses. A Monte-Carlo based methodology is presented for physics-based probabilistic uncertainty analysis of aerothermodynamics and thermal protection system material response modeling. These data are then used to advocate for and plan focused testing aimed at reducing key uncertainties. The results of these tests are used to validate or modify existing physical models. Concurrently, a testing methodology is outlined for thermal protection materials. The proposed approach is based on using the results of uncertainty/sensitivity analyses discussed above to tailor ground testing so as to best identify and quantify system performance and risk drivers. A key component of this testing is understanding the relationship between the test and flight environments. No existing ground test facility can simultaneously replicate all aspects of the flight environment, and therefore good models for traceability to flight are critical to ensure a low risk, high reliability thermal protection system design. Finally, the role of flight testing in the overall thermal protection system development strategy is discussed.

Wright, Michael J.↗

NASA NTRS2023

Handbook for Additively Manufactured Materials: Microstructure, Properties, and Fractography

As the additive manufacturing (AM) industry has grown and the processes have matured more alloys have been adapted to the various AM processes. Understanding the microstructure and properties of these AM alloys is important in designing parts that perform appropriately in application. For decades materials handbooks have been informative references for designers and engineers alike to know what properties and microstructures to expect in alloys produced by other forms of manufacturing. AM alloy references for properties and microstructures have been largely limited to literature that may not be subject to the same industry standard heat treatments or in standard process parameters. NASA has worked with partners to characterize various commercially available AM alloys with a high degree of traceability. This work aims utilize industry-relevant, traceable datasets to develop a new handbook for AM alloys to better inform designers and engineers of the microstructures, fractures, and first order properties from over 30 AM alloys produced across the industry.

Additive Manufacturing↗

NASA NTRS2016

Two-Step Resonance-Enhanced Desorption Laser Mass Spectrometry for In Situ Analysis of Organic-Rich Environments

A wide diversity of planetary surfaces in the solar system represent high priority targets for in situ compositional and contextual analysis as part of future missions. The planned mission portfolio will inform our knowledge of the chemistry at play on Mars, icy moons, comets, and primitive asteroids, which can lead to advances in our understanding of the interplay between inorganic and organic building blocks that led to the evolution of habitable environments on Earth and beyond. In many of these environments, the presence of water or aqueously altered mineralogy is an important indicator of habitable environments that are present or may have been present in the past. As a result, the search for complex organic chemistry that may imply the presence of a feedstock, if not an inventory of biosignatures, is naturally aligned with targeted analyses of water-rich surface materials. Here we describe the two-step laser mass spectrometry (L2MS) analytical technique that has seen broad application in the study of organics in meteoritic samples, now demonstrated to be compatible with an in situ investigation with technique improvements to target high priority planetary environments as part of a future scientific payload. An ultraviolet (UV) pulsed laser is used in previous and current embodiments of laser desorption/ionization mass spectrometry (LDMS) to produce ionized species traceable to the mineral and organic composition of a planetary surface sample. L2MS, an advanced technique in laser mass spectrometry, is selective to the aromatic organic fraction of a complex sample, which can provide additional sensitivity and confidence in the detection of specific compound structures. Use of a compact two-step laser mass spectrometer prototype has been previously reported to provide specificity to key aromatic species, such as PAHs, nucleobases, and certain amino acids. Recent improvements in this technique have focused on the interaction between the mineral matrix and the organic analyte. The majority of planetary targets of astrobiological interest are characterized by the presence of water or hydrated mineral phases. Water signatures can indicate a history of available liquid water that may have played an important role in the chemical environment of these planetary surfaces and subsurfaces. The studies we report here investigate the influence of water content on the detectability of organics by L2MS in planetary analog samples.

primitive asteroids↗

NASA NTRS2012

Potassium Stable Isotopic Compositions Measured by High-Resolution MC-ICP-MS

Potassium isotopic (K-41/K-39) compositions are notoriously difficult to measure. TIMS measurements are hindered by variable fractionation patterns throughout individual runs and too few isotopes to apply an internal spike method for instrumental mass fractionation corrections. Internal fractionation corrections via the K-40/K-39 ratio can provide precise values but assume identical K-40/K-39 ratios (e.g. 0.05% (1sigma) in [1]); this is appropriate in some cases (e.g. identifying excess K-41) but not others (e.g., determining mass fractionation effects and metrologically traceable isotopic abundances). SIMS analyses have yielded measurements with 0.25% precisions (1sigma) [2]. ICP-MS analyses are significantly affected by interferences from molecular species such as Ar-38H(+) and Ar-40H(+) and instrument mass bias. Single collector ICP-MS instruments in "cold plasma" mode have yielded uncertainties as low as 2% (1sigma, e.g. [3]). Although these precisions may be acceptable for some concentration determinations, they do not resolve isotopic variation in terrestrial materials. Here we present data from a series of measurements made on the Thermo Scientific NEPTUNE Plus multi-collector ICP-MS that demonstrate the ability to make K-41/K-39 ratio measurements with 0.07% precisions (1sigma). These data, collected on NIST K standards, indicate the potential for MC-ICP-MS measurements to look for K isotopic variations at the sub-permil level. The NEPTUNE Plus can sufficiently resolve 39K and 41K from the interfering 38ArH+ and 40ArH+ peaks in wet cold plasma and high-resolution mode. Measurements were made on small but flat, interference-free, plateaus (ca. 50 ppm by mass width for K-41). Although ICP-MS does not yield accurate K-41/K-39 values due to significant instrumental mass fractionation (ca. 6%), this bias can be sufficiently stable over the time required for several measurements so that relative K-41/K-39 values can be precisely determined via sample-standard bracketing. As cold plasma conditions can amplify matrix effects, experiments were conducted to test the matrix tolerance of measurements; the use of clean, matrix-matched samples and standards is critical. Limitations of the cold-plasma high-resolution MC-ICP-MS methodology with respect to matrix tolerance are discussed and compared with the limitations of TIMS methodologies.

Morgan, Leah E.↗