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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Mind the gap: the discrepancy between simulation and reality drives interpretations of the Galactic Center Excess

The Galactic Center Excess (GCE) in GeV gamma rays has been debated for over a decade, with the possibility that it might be due to dark matter annihilation or undetected point sources such as millisecond pulsars (MSPs). This study investigates how the gamma-ray emission model (γEM) used in Galactic center analyses affects the interpretation of the GCE's nature. To address this issue, we construct an ultra-fast and powerful inference pipeline based on convolutional Deep Ensemble Networks. We explore the two main competing hypotheses for the GCE using a set of γEMs with increasing parametric freedom. We calculate the fractional contribution (f src ) of a dim population of MSPs to the total luminosity of the GCE and analyze its dependence on the complexity of the γEM. For the simplest γEM, we obtain fsrc = 0.10 ± 0.07, while the most complex model yields f src = 0.79 ± 0.24. In conclusion, we find that the statement about the nature of the GCE (dark matter or not) strongly depends on the assumed γEM. The quoted results for f src do not account for the additional uncertainty arising from the fact that the observed gamma-ray sky is out-of-distribution concerning the investigated γEM iterations. We quantify the reality gap between our γEMs using deep-learning-based One-Class Deep Support Vector Data Description networks, revealing that all employed γEMs have gaps to reality. Finally, our study casts doubt on the validity of previous conclusions regarding the GCE and dark matter, and underscores the urgent need to account for the reality gap and consider previously overlooked "out of domain" uncertainties in future interpretations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Thick Electrode Design for Facile Electron and Ion Transport: Architectures, Advanced Characterization, and Modeling

The demand for lithium ion batteries continues to expand for powering applications such as portable electronics, grid-scale energy storage, and electric vehicles. As the application requirements advance, the innovation of lithium ion batteries toward higher energy density and power output is required. Along with the investigation of new materials, an important strategy for increasing battery energy content is to design electrodes with high areal loading to minimize the fraction of nonactive materials such as current collectors, separators, and packaging components, resulting in significant gains in energy content and the reduction of the system-level cost. However, the adoption of thick high areal loading electrodes has been impeded by sluggish charge transport and mechanical instability. With conventional slurry cast electrodes, battery function significantly deteriorates with increases in electrode thickness due to high cell polarization and the incomplete utilization of active materials. Thus, a consideration of approaches that facilitate an understanding and eventual adoption of high-loading electrodes is warranted to enable the deliberate advancement of next-generation batteries. Herein, this Account considers three aspects critical to the science and technology of thick high-loading electrodes. The first discussion covers recent approaches to the design and fabrication of high-loading electrodes. Ensuring electrical contact throughout the electrode is accomplished through the manipulation of conductive additives or using a conductive scaffold within the electrode. Ion transport can be facilitated through electrode design and fabrication approaches that deliberately control the electrode porosity and tortuosity. Second, advanced characterization methodologies are presented as the ability to determine the origins of transport limitations provide the insight needed to deliberately approach future designs. Spectroscopic and diffraction methods have been used to characterize the 2D and 3D pore structure and composition of the electrodes. Furthermore, operando methods that yield spatially and temporally resolved information regarding the progression of the electrochemical reaction are highlighted. The third aspect considered is the utilization of modeling. Physically based continuum models linked with the results of experimental characterization have been demonstrated and then allow the rapid simulation of a variety of deliberate electrode designs and their impacts on functional electrochemistry. Variables relevant to the designs can be tested by the model under a series of use conditions to identify those of most promise for a specific application. Finally, an outlook on future opportunities for high-loading battery electrode research is provided to inform and entice practitioners in the field to pursue these important directions of inquiry.

25 ENERGY STORAGE↗
DOE OSTI2016

MAGNETO-ACOUSTIC WAVES IN A GRAVITATIONALLY STRATIFIED MAGNETIZED PLASMA: EIGEN-SOLUTIONS AND THEIR APPLICATIONS TO THE SOLAR ATMOSPHERE

Magneto-acoustic gravity (MAG) waves have been studied intensively in the context of astrophysical plasmas. There are three popular choices of analytic modeling using a Cartesian coordinate system: a magnetic field parallel, perpendicular, or at an angle to the gravitational field. Here, we study a gravitationally stratified plasma embedded in a parallel, so called vertical, magnetic field. We find a governing equation for the auxiliary quantity Θ = p {sub 1}/ ρ {sub 0}, and find solutions in terms of hypergeometric functions. With the convenient relationship between Θ and the vertical velocity component, v {sub z}, we derive the solution for v{sub z}. We show that the four linearly independent functions for v{sub z} can also be cast as single hypergeometric functions, rather than the Frobenius series derived by Leroy and Schwartz. We are then able to analyze a case of approximation for a one-layer solution, taking the small wavelength limit. Motivated by solar atmospheric applications, we finally commence study of the eigenmodes of perturbations for a two-layer model using our solutions, solving the dispersion relation numerically. We show that, for a transition between a photospheric and chromospheric plasma embedded in a vertical magnetic field, modes exist that are between the observationally widely investigated three and five minute oscillation periods, interpreted as solar global oscillations in the lower solar atmosphere . It is also shown that, when the density contrast between the layers is large (e.g., applied to photosphere/chromosphere-corona), the global eigenmodes are practically a superposition of the same as in each of the separate one-layer systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Radiation burnthrough measurements to infer opacity at conditions close to the solar radiative zone–convective zone boundary

Recent measurements at the Sandia National Laboratory of the x-ray transmission of iron plasma have inferred opacities much higher than predicted by theory, which casts doubt on modeling of iron x-ray radiative opacity at conditions close to the solar convective zone-radiative zone boundary. An increased radiative opacity of the solar mixture, in particular iron, is a possible explanation for the disagreement in the position of the solar convection zone-radiative zone boundary as measured by helioseismology and predicted by modeling using the most recent photosphere analysis of the elemental composition. In this report we present data from radiation burnthrough experiments, which do not support a large increase in the opacity of iron at conditions close to the base of the solar convection zone and provide a constraint on the possible values of both the mean opacity and the opacity in the x-ray range of the Sandia experiments. The data agree with opacity values from current state-of-the-art opacity modeling using the CASSANDRA opacity code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Aluminothermic Reduction Process Under Nitrogen Gas Pressure for Preparing High Nitrogen Austenitic Steels

The aluminothermic reduction casting process under nitrogen gas pressure to make austenitic Cr-Mn-N (Ni-free) and Cr-N (Ni/Mn-free) high nitrogen stainless steels was investigated. Thermodynamic simulation of the redox reaction depending on process parameters was performed. As a result, the optimal ratio of aluminum to oxygen in the initial powder mixture to obtain the highest yield of metal product with minimal aluminum nitride contamination was predicted to be slightly greater than the stoichiometric ratio of 1.125. Microstructures of aluminothermic 26Cr1N and 23Cr9Mn1N steels, prepared taking into account the results of thermodynamic simulation, were investigated by X-ray diffraction, metallography, and transmission electron microscopy. The as-cast microstructure was a pseudo-pearlite (layered ferrite-nitride mixture) in 26Cr1N steel and a ferrite-austenite with signs of discontinuous austenite decomposition in 23Cr9Mn1N steel. After hot forging and subsequent water quenching from 1200 °C, the microstructure was fully austenitic in both steels. Tensile tests of quenched 23Cr9Mn1N steel showed a combination of high strength (ultimate strength of 1324 MPa) and ductility (elongation of 27 pct). The results illustrate that the aluminothermic casting process for producing high nitrogen steel is competitive with the commonly used methods, such as pressure electroslag remelting, both in terms of cost and mechanical properties of manufactured steel.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Constructing angular distributions of neutrinos in core-collapse supernovae from zeroth and first moments calibrated by full Boltzmann neutrino transport

Two-moment neutrino transport methods have been widely used for developing theoretical models of core-collapse supernovae (CCSN), since they substantially reduce the computational burden inherent in the multidimensional neutrino-radiation hydrodynamical simulations. The approximation, however, comes at a price; the detailed structure of angular distribution of neutrinos is sacrificed, that is the main drawback of this approach. In this paper, we develop a novel method by which to construct angular distributions of neutrinos from the zeroth and first angular moments. In our method, the angular distribution is expressed with two quadratic functions of the neutrino angle in a piecewise fashion. We determine the best parameters in the fitting function by comparing to the neutrino data in a spherically symmetric CCSN model with full Boltzmann neutrino transport. We demonstrate the capability of our method by using our recent 2D CCSN model. In this work, we find that the essential features of the angular distributions can be well reconstructed, whereas the angular distributions of incoming neutrinos tend to have large errors that increase with flux factor ($\textit{κ}$). This issue originates from the insensitiveness of incoming neutrinos to $\textit{κ}$, that is an intrinsic limitation in moment methods. Based on the results of the demonstration, we assess the reliability of electron- neutrinos lepton number (ELN)-crossing searches with the two-moment neutrino transport. This analysis is complementary to our [L. Johns and H. Nagakura arXiv:2104.04106] that scrutinizes the limitation of crossing searches with a few moments. We find that the systematic errors of angular distributions for incoming neutrinos lead to misjudgements of the crossing at $\textit{κ}$ ≳ 0.5. This casts doubt on the results of ELN-crossing searches based on two-moment methods in some previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Accurate modeling and reconstruction of three-dimensional percolating filamentary microstructures from two-dimensional micrographs via dilation-erosion method

Heterogeneous materials are ubiquitous in nature and synthetic situations and have a wide range of important engineering applications. Accurate modeling and reconstructing three-dimensional (3D) microstructure of topologically complex materials from limited morphological information such as a two-dimensional (2D) micrograph is crucial to the assessment and prediction of effective material properties and performance under extreme conditions. Here, we extend a recently developed dilation–erosion method and employ the Yeong–Torquato stochastic reconstruction procedure to model and generate 3D austenitic–ferritic cast duplex stainless steel microstructure containing percolating filamentary ferrite phase from 2D optical micrographs of the material sample. Specifically, the ferrite phase is dilated to produce a modified target 2D microstructure and the resulting 3D reconstruction is eroded to recover the percolating ferrite filaments. The dilation–erosion reconstruction is compared with the actual 3D microstructure, obtained from serial sectioning (polishing), as well as the standard stochastic reconstructions incorporating topological connectedness information. The fact that the former can achieve the same level of accuracy as the latter suggests that the dilation–erosion procedure is tantamount to incorporating appreciably more topological and geometrical information into the reconstruction while being much more computationally efficient. - Highlights: • Spatial correlation functions used to characterize filamentary ferrite phase • Clustering information assessed from 3D experimental structure via serial sectioning • Stochastic reconstruction used to generate 3D virtual structure 2D micrograph • Dilation–erosion method to improve accuracy of 3D reconstruction.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Evaluation of Technetium Getters to Improve the Performance of Cast Stone

Cast Stone has been selected as the preferred waste form for solidification of aqueous secondary liquid effluents from the Hanford Tank Waste Treatment and Immobilization Plant (WTP) process condensates and low-activity waste (LAW) melter off-gas caustic scrubber effluents. Cast Stone is also being evaluated as a supplemental immobilization technology to provide the necessary LAW treatment capacity to complete the Hanford tank waste cleanup mission in a timely and cost effective manner. One of the major radionuclides that Cast Stone has the potential to immobilize is technetium (Tc). The mechanism for immobilization is through the reduction of the highly mobile Tc(VII) species to the less mobile Tc(IV) species by the blast furnace slag (BFS) used in the Cast Stone formulation. Technetium immobilization through this method would be beneficial because Tc is one of the most difficult contaminants to address at the U.S. Department of Energy (DOE) Hanford Site due to its complex chemical behavior in tank waste, limited incorporation in mid- to high-temperature immobilization processes (vitrification, steam reformation, etc.), and high mobility in subsurface environments. In fact, the Tank Closure and Waste Management Environmental Impact Statement for the Hanford Site, Richland, Washington (TC&WM EIS) identifies technetium-99 ( 99 Tc) as one of the radioactive tank waste components contributing the most to the environmental impact associated with the cleanup of the Hanford Site. The TC&WM EIS, along with an earlier supplemental waste-form risk assessment, used a diffusion-limited release model to estimate the release of different contaminants from the WTP process waste forms. In both of these predictive modeling exercises, where effective diffusivities based on grout performance data available at the time, groundwater at the 100-m down-gradient well exceeded the allowable maximum permissible concentrations for 99 Tc. (900 pCi/L). Recent relatively short-term (63 day) leach tests conducted on both LAW and secondary waste Cast Stone monoliths indicated that 99 Tc diffusivities were at or near diffusivities where the groundwater at the 100-m down-gradient well would exceed the allowable maximum permissible 99 Tc concentrations. There is, therefore, a need and an opportunity to improve the retention of Tc in the Cast Stone waste form. One method to improve the performance of the Cast Stone waste form is through the addition of “getters” that selectively sequester Tc inside Cast Stone.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

SU-G-TeP1-09: Modality-Specific Dose Gradient Modeling for Prostate IMRT Using Spherical Distance Maps of PTV and Isodose Contours

Purpose: Overlapping volume histogram (OVH) and distance-to-target histogram (DTH) calculations rely on the assumption that dose gradients are symmetric with respect to primary target volume (PTV) expansion and minimum distance to PTV surface, respectively. It is desirable to lift this assumption and instead account for achievable modality-specific dose gradients (MSDG) for a given PTV shape. Methods: From a library of 96 prostate 7-beam IMRT plans, we computed spherical distance maps (SDMs) for PTVs and 3 iso-dose contours. Each SDM contains the minimum distances between plan isocenter and the object’s surface for a fixed set of azimuthal and polar angles. We performed principal component analysis (PCA)-based missing data recovery with PTV SDM as input and a single iso-dose contour SDM as output. Repeating this process for the set of iso-dose contours sparsely reconstructed the MSDG for a given PTV. DVH points were computed from the MSDG for bladder and rectum (OARs) as a natural way of casting patient-specific geometric information into modality-specific dose space (vs. OVH and DTH where data is purely geometric). For comparison, we implemented a cumulative (c)DTH-based prediction algorithm, and produced DVH for both OARs separately. We then computed linear regressions between each method and the DVH of the original patient plan for three different OAR DVH points. Results: R-squared for MSD-Gcomputed DVH vs. original plan DVH at V90%, V80% and V60% of max dose were 0.86, 0.83, and 0.78, for bladder and 0.36, 0.52, and 0.55 for rectum, respectively; R-squared for cDTH-based predicted DVH vs. original plan DVH were 0.67, 0.81, and 0.83, for bladder and 0.44, 0.50, and 0.51, for rectum, respectively. Conclusion: By simply modeling the MSDG about a given PTV, we are able to reproduce DVHs consistent with a validated cDTH-based DVH prediction. Regression analysis suggests MSDG could further improve predictions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Dealloying, Microstructure and the Corrosion/Protection of Cast Magnesium Alloys

The purpose of this project was to develop a greater understanding of micro-galvanic corrosion effects in cast magnesium alloys using both experimental and computational methods. Experimental accomplishments have been made in the following areas of interest: characterization, aqueous free-corrosion, atmospheric corrosion, ionic liquid dissolution, rate kinetics of oxide dissolution, and coating investigation. Commercial alloys (AZ91D, AM60, and AZ31B), binary-phase alloys (αMg-2at.%Al, αMg-5at.%Al, and Mg-8at.%Al), and component phases (Mg, Al, β-Mg, β-1%Zn, MnAl3) were obtained and characterized using energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and scanning electron microscopy (SEM). Full immersion in aqueous chloride was used to characterize the corrosion behavior of alloys. Rotating disc electrodes (RDEs) were used to observe accelerated long-term corrosion behavior. Al surface redistribution for freely corroded samples was analyzed using SEM, EDS, and lithium underpotential deposition (Li UPD). Atmospheric corrosion was observed using contact angle evolution, overnight pH monitoring, and surface pH evolution studies. Ionic liquid corrosion characterization was performed using linear sweep voltammetry and potentiostatic dissolution in 150° choline chloride-urea (cc-urea). Two surface coatings were investigated: (1) Li-carbonate and (2) cc-urea. Li-carbonate coatings were characterized using X-ray photoelectron spectroscopy (XPS), SEM, and aqueous free corrosion potential monitoring. Hydrophobic cc-urea coatings were characterized using contact angle measurements and electrochemical impedance spectroscopy. Oxide dissolution rate kinetics were studied using inductively coupled plasma mass spectroscopy (ICP-MS). Computational accomplishments have been made through the development of Kinetic Monte Carlo (KMC) simulations which model time- and composition-dependent effects on the microstructure due to spatial redistribution of alloying elements during corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Dynamic recrystallization kinetics and microstructure evolution of an AZ91D magnesium alloy during hot compression

Highlights: • DRX kinetic model is developed for the aged AZ91D magnesium alloy. • The DRX behavior in different strained regions was investigated. • Four morphologies of the second phase were proposed during the hot compression tests. • The nucleation mechanisms of the DRX grains were clarified. - Abstract: The flow behavior of as-cast AZ91D magnesium alloy was evaluated by isothermal compression tests within the temperatures of 220 °C, 260 °C, 300 °C, 340 °C, and 380 °C, and the strain rates of 0.001, 0.01, 0.1, 1 and 10s{sup −1}. Based on the stress-strain curve and hyperbolic sine function, the thermal activation energy and the strain rate sensitivity of the material were determined to be 142.2726 kJ·mol{sup −1} and 0.142, respectively. The S type evolution of the dynamic recrystallization with the increasing strain that dynamic recrystallization (DRX) model obtained from stress and strain data. There was a good consistency between the proposed DRX kinetics model and microstructure observation results. Combining isothermal compression specimens with finite element and scanning electron microscopy (SEM) analysis indicated that the sample can be divided into rarely recrystallized region, partially recrystallized region and completely recrystallized region, which falls within the dense deformation zone, free deformation zone and severe deformation zone, respectively. The different forms of the β-Mg{sub 17}Al{sub 12} phase induced by compression tests were confirmed by SEM. Nucleation mechanisms of the DRX were discussed with reference to the transmission electron microscope (TEM) analysis results.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Evolution of Microstructure and Creep Behavior in an Fe-Ni-Cr-Nb-C Alloy during Service in Hydrocarbon Cracker Tubes

Heat resistant, cast austenitic Fe-Ni-Cr-Nb-C alloy tubes are used by the petrochemical industry to transport hydrocarbons at temperatures between 850 and 1050 °C. Exposure to carbon from the process stream and nitrogen from the air causes severe carburization and nitridation in the tube walls, which influences creep resistance and degrades their ductility. A better understanding of these processes would enable their service life to be extended. To this end, we report the results of an experimental and computational study of the changes in microstructure and creep behavior in a representative alloy during service. The microstructure of the fresh material is compared to that of 8- and 10-year-old tubes. The results confirm the presence of M{sub 23}C{sub 6}, M{sub 7}C{sub 3}, and M{sub 2}(CN) phases reported in prior studies, and also reveal the nucleation and growth of the carbo-nitride phase M{sub 6}(CN). We show that the spatial variations of carbide and nitride particle volume fractions in aged tubes can be predicted by a simple reaction–diffusion equation. In addition, the uniaxial compressive creep response of the fresh and aged tubes was obtained as functions of temperature and strain rate. The materials deform by power-law creep, with strain rate versus stress relation as ε-dot =Aσ{sup n}. Aging reduces the stress exponent from n = 8 in fresh tubes to n = 5 in aged tubes, and also reduces the pre-exponential coefficient A. Tests on model alloys with composition identical to that of the matrix combined with finite element simulations of creep in model microstructures reveal that Cr depletion is responsible for the change in stress exponent, while the change in A is caused by the increase in particle volume fraction. By combining the microstructure-scale simulations of creep with the predictions of the reaction–diffusion model of microstructure evolution, the creep behavior of tubes left in service beyond 10 years is estimated.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Optimization of Deep Borehole Systems for HLW Disposal

This is the final report on a project to update and improve the conceptual design of deep boreholes for high level nuclear waste disposal. The effort was concentrated on application to intact US legacy LWR fuel assemblies, but conducted in a way in which straightforward extension to other waste forms, host rock types and countries was preserved. The reference fuel design version consists of a vertical borehole drilled into granitic bedrock, with the uppermost kilometer serving as a caprock zone containing a diverse and redundant series of plugs. There follows a one to two kilometer waste canister emplacement zone having a hole diameter of approximately 40-50 cm. Individual holes are spaced 200-300 m apart to form a repository field. The choice of verticality and the use of a graphite based mud as filler between the waste canisters and the borehole wall liner was strongly influenced by the expectation that retrievability would continue to be emphasized in US and worldwide repository regulatory criteria. An advanced version was scoped out using zinc alloy cast in place to fill void space inside a disposal canister and its encapsulated fuel assembly. This excludes water and greatly improves both crush resistance and thermal conductivity. However the simpler option of using a sand fill was found adequate and is recommended for near-term use. Thermal-hydraulic modeling of the low permeability and porosity host rock and its small (≤ 1%) saline water content showed that vertical convection induced by the waste’s decay heat should not transport nuclides from the emplacement zone up to the biosphere atop the caprock. First order economic analysis indicated that borehole repositories should be cost-competitive with shallower mined repositories. It is concluded that proceeding with plans to drill a demonstration borehole to confirm expectations, and to carry out priority experiments, such as retention and replenishment of in-hole water is in order.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Natural and Engineered Features Supporting Environmental Performance of Idaho National Laboratory's Remote-Handled Low-Level Waste Disposal Facility - 19436

The Idaho National Laboratory's (INL's) Remote-Handled Low-Level Waste (RH LLW) Disposal Facility has been designed and constructed to receive waste generated at the INL site in support of the US DOE Office of Nuclear Energy (NE) and Naval Reactors (NR) missions. The facility has been designed to receive legacy RH LLW currently in storage at INL facilities and new waste generated by nuclear research programs. RH LLW to be received at the facility is solid waste consisting of surface contaminated materials; ion exchange resins used to purify cooling and canal water; and activated metal components generated during reactor core change outs and Naval spent fuel management; and nuclear R and D. Disposal of INL's RH LLW poses unique disposal challenges due to high radiation levels (contact rates up to 600 Sv/hr [60,000 Rem/hr]) that require remote handling and adequate shielding for transportation and disposal. The facility has been designed to meet the requirements of DOE Order 435.1, Radioactive Waste Management, including the all-pathways dose, air pathway dose, inadvertent intruder doses, and radon emissions limits. This paper presents an overview of natural and engineered design features that support the safety case and enhance the environmental performance of the facility. These features include location selection, use of reinforced pre-cast concrete vaults; a robust hydraulic drainage system; use of steel waste canisters for waste disposal; the facility monitoring system; facility layout; and crediting waste forms. The facility performance assessment (PA) developed to meet the requirements of DOE Order 435.1, credits each of these protective features. Releases from waste forms disposed of at this facility are limited by corrosion of the steel waste canisters which will ultimately allow contact with infiltrating water followed by transport of radionuclides from the vault system. The steel waste canisters were credited for their ability to limit water contact with the waste based on the demonstrated ability of the reinforced pre-caste concrete vaults to provide long-term structural protection of the steel waste canisters. Verification of hydraulic and concrete performance was conducted through laboratory data, field infiltration tests supported by a robust monitoring system, and numerical modeling. Releases into the vault system from activated metals are based on site-specific corrosion data. Radionuclide transport from the vault system from all waste forms is based on site-specific climatological, hydrologic, and stratigraphic data. At INL, the groundwater pathway historically and appropriately has received the most attention. By crediting aspects of the natural system, the engineered vault system, and the waste, estimated radiologic doses via the groundwater pathway are minimal. Air pathway doses were reduced by differentially crediting corrosion of aluminum and stainless steel activated metals resulting in the pathway being screened out of the PA. Groundwater and inadvertent intruder doses were reduced through selective facility layout. This paper provides an overview of the system-wide protective features incorporated into the facility design along with an extensive reference list to supporting technical papers and analyses that provide data and interpretation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Thermal Aging Degradation of Cast Stainless Steels in LWR Systems

Cast austenitic stainless steels (CASSs) have been extensively used for the large components of light water reactor (LWR) power plants such as primary coolant piping and pump casing. Since a large number of massive CASS components are installed in every modern nuclear power plant, any significant degradation of CASS components will raise serious concerns on the integrity of the entire power plant. Upon the presumption that the replacement cost of such massive components is prohibitive, therefore, thorough scientific understanding and systematic monitoring the thermal aging degradation of CASS components should be essential requirements for assessing the plant safety. In the past few decades many researches have concluded that the formation of Cr-rich α-phase by Spinoidal decomposition of δ-ferrite phase, which is formed in high temperature region during cooling, is the primary mechanism for the thermal embrittlement. Cracking mechanism in the thermally-embrittled duplex stainless steels consists of cleavage initiation at ferrite and crack propagation via separation of ferrite-austenite interphase. It has been known, however, that such thermal aging embrittlement is observed only in accelerated aging conditions and the cast stainless steel grades used in nuclear plants have performed well without experiencing real embrittlement. It has been speculated that long-term thermal aging for ≥ 60 years could lead to further decomposition of designed phases and increase of precipitation. This will result in significantly increased susceptibility to embrittlement or other degradation due to thermal aging-radiation synergistic effect, irradiation-induced degradation, stress-corrosion cracking, and general corrosion. Currently, therefore, the thermal embrittlement of CASS components is one of the most serious concerns for extended operation of nuclear power plants. A scientific research is underway to address the issues related to the thermal aging degradation of CASS components. The research aims to provide knowledge-based conclusive prediction for the integrity of the CASS components of LWR power plants during extended operation up to and beyond 60 years. This presentation intends to provide an introductory overview on the thermal aging phenomena in LWR relevant conditions and discussion on the measurements of mechanical property degradation after accelerated and LWR relevant thermal aging treatments. First, the thermal aging effect on toughness is discussed in terms of the causes of embrittlement and influential parameters. Second, the talk will include a comprehensive discussion on the thermal aging effects in different CASS grades (i.e., CF3, CF3M, CF8, and CF8M), which will focus on the influence of alloying elements such as molybdenum and carbon. Third, approximate analysis on thermal reaction in CASS was carried out using Arrhenius equation to decide the effective temperature range for accelerated aging experiments to simulate 60 and 80 years of services in limited time frame. The results will provide valuable insights in the degree of thermal aging. Fourth, calculation on equilibrium precipitation was performed for model CASS alloys using the CALPHAD program, and the results will be used to describe the precipitation behaviors in association with the degradation in mechanical properties. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Bringing simulation and observation together to better understand the intergalactic medium

The methods by which one characterizes the distribution of matter in cosmological simulations is intrinsically different from how one performs the same task observationally. In this paper, we make substantial steps toward comparing simulations and observations of the intergalactic medium (IGM) in a more sensible way. We present a pipeline that generates and fits synthetic QSO absorption spectra using sight lines cast through a cosmological simulation, and simultaneously identifies structure by directly analyzing the variations in H I and O VI number density. We compare synthetic absorption spectra with a less observationally motivated, but more straightforward density threshold-based method for finding absorbers. Our efforts focus on H I and O VI to better characterize the warm/hot IGM, a subset of the IGM that is challenging to conclusively identify observationally. We find that the two methods trace roughly the same quantities of H I and O VI above observable column density limits, but the synthetic spectra typically identify more substructure in absorbers. We use both methods to characterize H I and O VI absorber properties. We find that both integrated and differential column density distributions from both methods generally agree with observations. The distribution of Doppler parameters between the two methods are similar for Lyα and compare reasonably with observational results, but while the two methods agree with each other with O VI systems, they both are systematically different from observations. We find a strong correlation between O VI baryon fraction and O VI column density. We also discuss a possible bimodality in the temperature distribution of the gas traced by O VI.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Digitalization of an experimental electrochemical reactor via the smart manufacturing innovation platform

The exponential increase in data produced over the last two decades has revolutionized the way we collect, store, process, analyze, model, and interpret information to improve profitability. Manufacturing is no exception. How- ever, Smart Manufacturing, the digital practice, organization, workforce, and infrastructure transformation for collection and deployment of data and models at scale and at all levels of manufacturing, is a complex, costly, and labor-intensive journey that is still seeing slow adoption. The Clean Energy Smart Manufacturing Innovation Institute (CESMII), a national Manufacturing USA public-private partnership sponsored by the Department of Energy, is addressing this scaled use of data and modeling in manufacturing. CESMII has focused on how to col- lect and use operating data for numerous applications that improve productivity, precision, and performance of manufacturing operations from factory floor to supply chain using process simulation, predictive analytics, mon- itoring and control, and real-time optimization. Because contextualized data are key, CESMII has developed the Smart Manufacturing Innovation Platform (SMIP) to lower the barriers to the data that are needed to accelerate data-based model building, improve data visualization, and more quickly gain insights. Reusable, standards-based ways of doing data collection, ingestion, and contextualization are particularly important for scaling access and use of data. The SMIP uses a standards-based definition and construct for reusable information models called an SM Profile. When an SM Profile is used in conjunction with the SMIP, the SMIP ensures the availability of contextualized, operational data for model building. The present work demonstrates Smart Manufacturing and the application of the SMIP for building several data-centered models for the operation and control of an ex- perimental electrochemical reactor that reduces carbon dioxide (CO 2 ) gas to valuable liquid and gas chemicals, such as alcohols, olefins, and syngas. We describe how the SMIP plays a central role in more effective model building and we demonstrate how the electochemical reactor can be controlled and optimized for the desired products. Use of the SMIP involves the transmission of real-time sensor measurements to a cloud resource so that the operating data are available to all model building experts. The data collection and transmission process is fully automated to greatly reduce the need for manual manipulation of the data. Data-driven machine learning models are used for advanced real-time state estimation, real-time optimization, and model-based feedback control for the reactor. The application models are implemented as a system to monitor the data flow and control the electrochemical reactor with a single visualization interface. SM Profiles are used to demonstrate reusability of the information models for the reactor and the instrumentation. The application packages, algorithms, and user interfaces developed are cast as Docker images in a library to facilitate reusability of the application models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Characteristic orientation relationships in nanoscale Al-Al2Cu Eutectic

Highlights: • Nano-scale lamellar Al-Al{sub 2}Cu eutectic was synthesized by laser surface remelting. • Orientation relationship (OR) is {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al.} • The OR has two variants, I has (001){sub Al2Cu}||{001}{sub Al} and II has (001){sub Al2Cu}||{111}{sub Al.} • Variant I is associated with low energy interfaces. - Abstract: A fully lamellar Al-Al{sub 2}Cu eutectic comprising alternate nano-scale α-Al and θ-Al{sub 2}Cu phases was synthesized through laser surface remelting of a cast Al-32.7 wt% Cu alloy. The orientation relationship between α-Al and θ-Al{sub 2}Cu phases was investigated from Kikuchi patterns obtained using electron backscattered diffraction (EBSD) and t-EBSD techniques. The characteristic orientation relationship (OR), {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al}, was observed independent of interlamellar spacing. This OR has two variants where, besides the two parallel planes, the variant I exhibits (001){sub Al2Cu}||{001}{sub Al} and the variant II exhibits (001){sub Al2Cu}||{111}{sub Al}. Variant I prevails over variant II in laser-processed α-Al and θ-Al{sub 2}Cu nano-laminates, and atomistic modeling indicates that this is due to the low energy interfaces associated with variant I, i.e., {211}{sub Al2Cu}||{111}{sub Al} or (001){sub Al2Cu}||{001}{sub Al}. A comprehensive understanding of the crystallographic orientation relationships between two phases may help predict or explain the active slip systems in fine-scale Al-Al{sub 2}Cu eutectic and other cubic-tetragonal two-phase materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗