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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 181 records · Page 10

Analysis of the Challenges in Developing Sample-Based Multi-fidelity Estimators for Non-deterministic Models

Multifidelity (MF) uncertainty quantification (UQ) seeks to leverage and fuse information from a collection of models to achieve greater statistical accuracy with respect to a single-fidelity counterpart, while maintaining an efficient use of computational resources. Despite many recent advancements in MF UQ, several challenges remain and these often limit its practical impact in certain application areas. In this manuscript, we focus on the challenges introduced by nondeterministic models to sampling MF UQ estimators. Nondeterministic models produce different responses for the same inputs, which means their outputs are effectively noisy. MF UQ is complicated by this noise since many state-of-the-art approaches rely on statistics, e.g., the correlation among models, to optimally fuse information and allocate computational resources. Here, we demonstrate how the statistics of the quantities of interest, which impact the design, effectiveness, and use of existing MF UQ techniques, change as functions of the noise. With this in hand, we extend the unifying approximate control variate framework to account for nondeterminism, providing for the first time a rigorous means of comparing the effect of nondeterminism on different multifidelity estimators and analyzing their performance with respect to one another. Numerical examples are presented throughout the manuscript to illustrate and discuss the consequences of the presented theoretical results.

97 MATHEMATICS AND COMPUTING↗

Data for: Competitive and Cooperative Effects of Chloride on Palladium(II) Adsorption to Iron (Oxyhydr)oxides: Implications for Mobility During Weathering

Data package for manuscript "Competitive and Cooperative Effects of Chloride on Palladium(II) Adsorption to Iron (Oxyhydr)oxides: Implications for Mobility During Weathering" by Emily G. Wright, Xicheng He, Elaine D. Flynn, Daniel E. Giammar, and Jeffrey G. Catalano. The manuscript will be submitted to Geochimica et Cosmochimica Acta. This dataset contains adsorption results from experiments designed to investigate the effect of chloride on Pd(II) adsorption to hematite and 2-line ferrihydrite. This includes lab experiments reacting suspensions of the minerals with various amounts of Pd and chloride at pH 4. We also characterized adsorbed Pd with X-ray absorption fine structure spectroscopy.

58 GEOSCIENCES↗

CT_Data_of_Gas_Migration_in_Setting_Cement

Computed tomography experimental data associated with the submitted manuscript "Migration of air bubbles in a column of cement slurry" by N’dri Arthur Konan, Eilis Rosenbaum, Dustin Crandall, Mehrdad Massoudi. Full description with citation to be updated when manuscript is accepted.

Computed Tomography↗

The future of the correlated electron problem

A central problem in modern condensed matter physics is the understanding of materials with strong electron correlations. Despite extensive work, the essential physics of many of these systems is not understood and there is very little ability to make predictions in this class of materials. In this manuscript we share our personal views on the major open problems in the field of correlated electron systems. We discuss some possible routes to make progress in this rich and fascinating field. This manuscript is the result of the vigorous discussions and deliberations that took place at Johns Hopkins University during a three-day workshop January 27, 28, and 29, 2020 that brought together six senior scientists and 46 more junior scientists. Our hope, is that the topics we have presented will provide inspiration for others working in this field and motivation for the idea that significant progress can be made on very hard problems if we focus our collective energies.

Alexandradinata, Aris [Univ. of Illinois at Urbana↗

Systems Approach to Engineering (Final Report)

This is the close-out report for the DOE Early Career award to Jennifer Reed (DE-SC0008103). Funds were used to support the research of 8 graduate students over six years on various projects focused on using systems approaches to improve production of biofuels and biochemicals in cyanobacteria and other microbes. The report provides a description of the research that was performed, which led to 8 publications, 1 submitted manuscript, 1 manuscript in preparation, and 2 patents as of the report's delivery.

60 APPLIED LIFE SCIENCES↗

Sierra/SolidMechanics 4.56 Theory Manual

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 4.58 Theory Manual

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 5.0 Theory Manual

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 5.2 Theory Manual

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 5.4 Theory Manual

Presented in this document are the theoretical aspects of capabilities contained in the Sierra / SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Sierra/SolidMechanics 5.6 Theory Manual

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 5.8 Theory Manual

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

42 ENGINEERING↗

Asymptotic preserving methods for fluid electron-fluid models in the large magnetic field limit with mathematically guaranteed properties (Final Report)

The current manuscript is a final report on the activities carried out under the Project LDRD-CIS #226834. In scientific terms, the work reported in this manuscript is a continuation of the efforts started with Project LDRD-express #223796 with final report of activities SAND2021-11481, see [83]. In this section we briefly explain what pre-existing developments motivated the current body of work and provide an overview of the activities developed with the funds provided. The overarching goal of the current project LDRD-CIS #226834 and the previous project LDRD-express #223796 is the development of numerical methods with mathematically guaranteed properties in order to solve the Euler-Maxwell system of plasma physics and generalizations thereof. Even though Project #223796 laid out general foundations of space and time discretization of Euler-Maxwell system, overall, it was focused on the development of numerical schemes for purely electrostatic fluid-plasma models. In particular, the project developed a family of schemes with mathematically guaranteed robustness in order to solve the Euler-Poisson model. This model is an asymptotic limit where only electrostatic response of the plasma is considered. Its primary feature is the presence of a non-local force, the electrostatic force, which introduces effects with infinite speed propagation into the problem. Even though instantaneous propagation of perturbations may be considered nonphysical, there are plenty of physical regimes of technical interest where such an approximation is perfectly valid.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Sierra/SolidMechanics 5.10 Theory Manual

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

42 ENGINEERING↗

Radionuclide Interaction with Hydrothermally Altered Repository Materials (M4SF-23LL010302052)

This progress report (Level 4 Milestone Number M4SF-23LL010302052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline Activity Number SF-23LL01030205. The research is focused on actinide and radionuclide sequestration in hydrothermally altered repository materials. In FY23, a manuscript was in preparation for publication summarizing our analysis of radionuclide sorption and coprecipitation into Fe oxide phases and evaluation of radionuclide partitioning values across a range of radionuclides relevant to performance assessment. We demonstrated our approach in detail using Se sorption and coprecipitation with iron oxide minerals. These data were presented in our FY22 annual report and will not be repeated here. We also initiated experiments to identify radionuclide interaction with hydrothermally altered crystalline repository and backfill materials. Recent research performed at Los Alamos National Laboratory (LANL) and Sandia National Laboratory (SNL) has provided key insights regarding the hydrothermal alteration behavior of bentonite backfill in the presence of repository materials (steel, concrete, etc.). We are now examining how mineral alteration affects retardation behavior of plutonium and a suite of other radionuclides. These experiments also allow us to test the predictive ability of our component additivity approach to surface complexation and ion exchange. Our guiding hypothesis is that a robust surface complexation/ion exchange model and associated database, developed using our L-SCIE approach, can effectively predict changes in radionuclide sorption behavior resulting from the hydrothermal alteration of mineralogy in a repository near field. A short update of results to date is presented below. A manuscript was also in preparation describing a self-consistent model and approach to simulating Se(IV) and Se(VI) sorption to 5 iron oxide phases based on our L-SCIE community database. This will be the first implementation of a multi-mineral and multi-oxidation state sorption model using our new L-SCIE database and workflow. A short summary of these results is presented below.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Machine Learning Enabled Sensor Fusion for In-Situ Defect Detection in Laser Powder Bed Fusion

Laser Powder Bed Fusion (L-PBF) Additive Manufacturing (AM) is among the metal 3D printing technologies most broadly adopted by the manufacturing industry. The current industry qualification paradigm for critical-application L-PBF parts relies heavily on expensive non-destructive inspection techniques such as X-Ray Computed Tomography (XCT), which significantly limits the use-cases of L-PBF. In situ monitoring of the process promises a less expensive alternative to ex situ testing, but existing sensor technologies and data analysis techniques struggle to detect sub-surface flaws (e.g., porosity and cracking) on production-scale L-PBF printers. RTX Technologies Research Center (RTRC) has licensed ORNL’s Peregrine software package – a printer- and camera-agnostic data analytics tool designed specifically for detecting process anomalies using in situ data collected during powder bed printing. The goal of this project was to feed temporally rich, multi-modal sensor data, including visible light, integrated near infrared (NIR), and spatially mapped co-axial melt pool thermal emission data into Peregrine to enable detection of subsurface flaws. XCT data was used as ground truth training data to allow Peregrine’s deep learning algorithms to recognize anomalies in these complex data streams in both test artifacts and industrially relevant geometries. Completion of this program has seen the successful implementation of multi-modal, multi-layer sensor data footprints for training of machine learning models in Peregrine. Flaws detected in XCT data have been successfully detected directly from this in situ data footprint, and initial analyses of the in situ probability-of-detection has been conducted, showing performance levels commensurate with traditional non-destructive evaluation (NDE) methods. The in situ monitoring methodology was then applied to an industrially relevant component that was using post-build NDE, highlighting the utility of the proposed method for hard-to-inspect AM components. As a direct result of this program, two journal manuscripts [1], [2] have been published in Additive Manufacturing, with additional manuscripts planned following program completion.

36 MATERIALS SCIENCE↗

Gamma Source Verification for GAMSRC and GAMSOR

Nuclear reactors that rely upon the fission reaction have two modes of thermal energy deposition in the reactor system: neutron absorption and gamma absorption. The gamma rays are typically generated by neutron capture reactions or during the fission process which means the primary driver of energy production is of course the neutron interactions. The GAMSOR program was first built in the mid 1980s to properly account for the gamma heating in an operating reactor core on core internals. The GAMSOR code is sequence of DIF3D calculations to compute the neutron and gamma flux and combine them to define both the neutron and gamma heating throughout the modeled domain. The goal of this manuscript is to present the software verification of GAMSOR. The first step of the GAMSOR sequence of calculations involves of a modified version of DIF3D (called DIF3D-GAMSOR) which generates a gamma source distribution for the follow-on DIF3D gamma transport calculation (step 2). This modified version of DIF3D increases the burden of maintenance and verification work on GAMSOR as one must reverify the DIF3D capabilities which is undesirable. Because the calculation of the gamma source is the only unique aspect of GAMSOR beyond the regular DIF3D capabilities, that part was put in a standalone code called GAMSRC such that one can use the verified DIF3D code in step 1 followed by GAMSRC to carry out the same GAMSOR calculation step. As a consequence, this manuscript is focused on verification of the gamma source files generated by GAMSRC. The verification of the modified version of DIF3D (DIF3D-GAMSOR) will be done less rigorously in that it will be verified that it produces the same output that GAMSRC does and thus GAMSRC is equivalent to GAMSOR on the problems studied here. Hand calculations and independent numerical calculations of the gamma source generation are used for the verification work. This work follows the same methodology of GAMSRC. As expected, the results agree well with those calculated by GAMSRC as will be shown.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

IER 484: AFRRI Field Characterization Measurements [Slides]

This lecture includes discussion on the future work of finalizing the data analysis with dose as a function of radial distance and ion chamber integral. Further on agenda is to write manuscript of AFRRI dose characterization and write manuscripts of all NCSP-funded NAD work. Finally, it talks on the goal to publish in Radiation Measurements special issue.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗