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At least 1,171 records · Page 65

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DOE OSTI2024

PVCollada schema

SAND2025-11606O xml schema for PV uses Collada 1.4 schema to provide tag names and structures to allow PV software to exchange Collada files with PV-specific data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Crosby, Sean↗

DOE OSTI2024

Tight Practical Bounds for Subgraph Densities in Ego-centric Networks

SAND2025-11782O Tight Practical Bounds for Subgraph Densities in Ego-centric Networks is a software tool for calculating the “subgraph spread ratio” for social network analysis. This value is useful in network analysis for determining the amount of exogenous and endogenous pressure on a graph. It can distinguish between networks coming from different sources, e.g. distinguishing a graph of Facebook data versus a graph of Wikipedia data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Mattes, Connor↗

DOE OSTI2025

Laser Powder Bed Fusion Microstructure Surrogate Model

SAND2025-11467O The Laser Powder Bed Fusion (LPBF) Microstructure Surrogate Model is a machine-learning-based tool. It predicts statistics of microstructures that are produced by the LPBF additive manufacturing process. It includes a series of codes for training, testing, and analyzing the model as well as utility scripts for handling data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Moser, Daniel [Sandia National Lab. (SNL-CA), Live↗

DOE OSTI2025

Hydrogen Diffusion Through Stainless Steel

SAND2025-14430O Hydrogen Diffusion Through Stainless Steel is a tool that employs a finite difference method algorithm to solve Fick's law and other mass transport models pertinent to the diffusion of hydrogen through stainless steel. Additionally, the software uses particle swarm optimization to determine physical parameters based on experimental data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Mason, Tyler [Sandia National Lab. (SNL-CA), Liver↗

DOE OSTI2023

Data for Glucose Assimilation Rate Determines the Partition of Flux at Pyruvate Between Lactic Acid and Ethanol in Saccharomyces cerevisiae

Engineered Saccharomyces cerevisiae expressing a lactic acid dehydrogenase can metabolize pyruvate into lactic acid. However, three pyruvate decarboxylase (PDC) isozymes drive most carbon flux toward ethanol rather than lactic acid. Deletion of endogenous PDCs will eliminate ethanol production, but the resulting strain suffers from C2 auxotrophy and struggles to complete a fermentation. Engineered yeast assimilating xylose or cellobiose produce lactic acid rather than ethanol as a major product without the deletion of any PDC genes. We report here that sugar flux, but not sensing, contributes to the partition of flux at the pyruvate branch point in S. cerevisiae expressing the Rhizopus oryzae lactic acid dehydrogenase (LdhA). While the membrane glucose sensors Snf3 and Rgt2 did not play any direct role in the option of predominant product, the sugar assimilation rate was strongly correlated to the partition of flux at pyruvate: fast sugar assimilation favors ethanol production while slow sugar assimilation favors lactic acid. Applying this knowledge, we created an engineered yeast capable of simultaneously converting glucose and xylose into lactic acid, increasing lactic acid production to approximately 17 g L−1 from the 12 g L−1 observed during sequential consumption of sugars. This work elucidates the carbon source-dependent effects on product selection in engineered yeast.

Conversion↗

DOE OSTI2023

Water resource recovery modelling 2021 (WRRmod2021 conference)

Our society is transitioning fast into the digital age, spurred by development of cheap and new sensing technology, breakthroughs in computing, and development of efficient algorithms for optimization. This transition is also visible in the field of wastewater treatment and is driving new model developments, especially by exploiting the large data sets available with many utilities. Not surprisingly, WRRmod2021 had featured a strong session on ‘data-driven models and digitalization’ focused on this hot topic. At the same time, engineering practice calls for more robust models for performance evaluation and optimization of both conventional facilities and innovative processes. As a result, the WRRmod2021 program also exhibited sessions on modelling of new process units (e.g., aerobic granular sludge), modelling of the nitrogen cycle, and integrated/plant-wide modelling.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Radiation Effects on Network on Chips (NoC) Laboratory Directed Research and Development (LDRD) project

This project was motivated by State-of-the-Art (SOTA) technology that incorporates Network on Chips (NOC) for efficient data communication across the various computer kernels. For example, on the AMD Versal Field Programmable Gate Arrays (FPGA), an NoC has been incorporated for fast data communication from the programmable logic and other computer kernels (processing system, adaptable intelligence engines, etc.). The radiation effects on the legacy technology of this FPGA, such as the programmable logic, are well understood, and established methods exist to measure cross-sections when new families/generations are released; however, newly incorporated technologies, such as the NoC, are not fully understood and could introduce new failure points into the mission space.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Measure Effects of Molten Halide Salt on Creep Rupture Lifetime for 316H, 709 and 617

Ongoing commercialization of different molten salt reactor concepts can considerably benefit from quantitative information on the impact of molten halide salts on the engineering properties such as creep and fatigue strength of materials of interest. Limited legacy data from the molten salt reactor experiment (MSRE) program showed a significant reduction in creep rupture strength of a Ni-base alloy in molten fluoride salt. This task evaluated the creep behavior of candidate structural materials 316H, 709 and 617 for advanced nuclear reactors under molten halide salt environments at 650, 700 and 750°C respectively. Creep tests were conducted in air, Ar, fluoride (FLiNaK) and chloride (NaCl-MgCl 2 ) salts. The molten salt environment caused a 50% reduction in creep rupture lifetime for 316H in FLiNaK and an 80% reduction in creep rupture lifetime in NaCl-MgCl 2 compared to air exposures. The molten fluoride salt environment resulted in almost a 90% and 50% reduction in creep rupture time for 709 and 617 irrespective of the cover gas environment (air and Ar). Significant differences in the compositional changes between the salt- and air-facing surfaces were observed in the alloy subsurface which might have potentially lead to formation of phases detrimental to the creep behavior.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Revisiting Theoretical Tools and Approaches for the Valorization of Recalcitrant Lignocellulosic Biomass to Value-Added Chemicals

Biorefinery processes for converting lignocellulosic biomass to fuels and chemicals proceed via an integrated series of steps. Biomass is first pretreated and deconstructed using chemical catalysts and/or enzymes to liberate sugar monomers and lignin fragments. Deconstruction is followed by a conversion step in which engineered host organisms assimilate the released sugar monomers and lignin fragments, and produce value-added fuels and chemicals. Over the past couple of decades, a significant amount of work has been done to develop innovative biomass deconstruction and conversion processes that efficiently solubilize biomass, separate lignin from the biomass, maximize yields of bioavailable sugars and lignin fragments and convert the majority of these carbon sources into fuels, commodity chemicals, and materials. Herein, we advocate that advanced in silico approaches provide a theoretical framework for developing efficient processes for lignocellulosic biomass valorization and maximizing yields of sugars and lignin fragments during deconstruction and fuel and chemical titers during conversion. This manuscript surveys the latest developments in lignocellulosic biomass valorization with special attention given to highlighting computational approaches used in process optimization for lignocellulose pretreatment; enzyme engineering for enhanced saccharification and delignification; and prediction of the genome modification necessary for desired pathway fine-tuning to upgrade products from biomass deconstruction into value-added products. Physics-based modeling approaches such as density functional theory calculations and molecular dynamics simulations have been most impactful in studies aimed at exploring the molecular level details of solvent-biomass interactions, reaction mechanisms occurring in biomass-solvent systems, and the catalytic mechanisms and engineering of enzymes involved in biomass degradation. More recently, with ever increasing amounts of data from, for example, advanced mutli-omics experiments, machine learning approaches have begun to make important contributions in synthetic biology and optimization of metabolic pathways for production of biofuels and chemicals.

09 BIOMASS FUELS↗

DOE OSTI2023

Statistical Treatise on Critical Biodiesel (B100) Quality Properties in the United States from 2004-2022

The quality of neat biodiesel (B100) is critical for ensuring biodiesel blends used in diesel-powered vehicles do not adversely impact engine performance. In the United States, B100 is required to meet ASTM International's purity and fuel property requirements in D6751, "Standard Specification for Biodiesel Fuel Blend Stock (B100) for Middle Distillate Fuels." Here we review the development of this standard for the different grades of B100. The BQ-9000 program, which currently covers over 90% of U.S. and Canadian production volumes, is also described. Engine and original equipment manufacturers have expressed a desire for credible, third-party data on values of various ASTM B100 properties in the commercial market to inform their efforts to address future emissions and durability requirements. To address this need, the National Renewable Energy Laboratory published data from analysis and testing of monthly samples from BQ-9000 producers from calendar years 2017-2022, resulting in 300-500 data points (i.e., individual fuel samples) per year. These data and a statistical evaluation of properties including the average, mean, standard deviation, and 95th or 5th percentile are presented. The results show very consistent and high-quality B100 produced in this time frame. Additionally, we review the results of earlier quality surveys conducted in the United States between 2004 and 2011, revealing how quality has changed over time in response to ASTM standard revisions, as well as the significant overall improvement in quality for modern biodiesel production.

ASTM standard↗

DOE OSTI2024

Heterostructural Rocksalt-Wurtzite Interfaces

Data and code accompanying the following publication: Sharad Mahatara and Stephan Lany, "Heterostructural interface engineering for ultrawide gap nitrides from first principles: TaC/AlN and TaC/GaN rocksalt-wurtzite interfaces," Physical Review Applied 22, 054044 (2024). https://doi.org/10.1103/PhysRevApplied.22.054044

36 MATERIALS SCIENCE↗

DOE OSTI2023

Diagnostic methods for a high efficiency exhaust aftertreatment system

A method includes acquiring nitrogen oxide (NOx) data indicative of a first amount of NOx in an exhaust flow exiting an engine and a second amount of NOx in the exhaust flow exiting an exhaust aftertreatment system coupled to the engine where the exhaust aftertreatment system including a selective catalytic reduction (SCR) system including a SCR catalyst; determining a NOx conversion efficiency fault is present within the exhaust aftertreatment system based on the first amount of NOx and the second amount of NOx; monitoring an actual amount of NOx in the exhaust flow downstream of the SCR catalyst; determining an expected amount of NOx downstream of the SCR catalyst; and determining the SCR catalyst is responsible for the NOx conversion efficiency fault in response to the actual amount of NOx differing from the expected amount of NOx by more than a threshold amount.

Gupta, Aniket↗

DOE OSTI2023

An Initial Evaluation of the Elevated-Temperature Cyclic Properties of Optimized 316H Stainless Steel Fabricated by Powder Metallurgy Hot Isostatic Pressing

Powder metallurgy hot isostatic pressing (PM-HIP) is a mature advanced manufacturing technology, which can consolidate metallic powder under high temperature and pressure to generate near-net shape components. This process can lower production costs and reduce component lead times for nuclear reactor construction and can be readily deployed in the near term for microreactor components because of their smaller size. The purpose of this work is to continue the evaluation of elevated-temperature cyclic material properties for PM-HIP 316H stainless steel. Prior scoping results have shown that the commercially procured PM-HIP stainless-steel materials have reduced creep-fatigue performance compared to wrought 316 stainless steels. To better understand how PM-HIP processed material properties compare to traditional manufacturing methods, additional billets of PM-HIP 316H stainless steel were procured and tested. This testing is necessary to understand how elevated-temperature properties are influenced by the PM-HIP process and what data are needed for incorporating PM HIP 316H into the American Society of Mechanical Engineers Boiler Pressure Vessel Code, Section III, Division 5 for high temperature reactor construction. Specifically, an additional PM-HIP 316H stainless steel billet with lower oxygen and nitrogen concentrations was fabricated by the Nuclear Advanced Manufacturing Research Centre of the United Kingdom and tested to understand if elevated-temperature cyclic properties can be improved. The creep-fatigue resistance of the material from this new billet did not show appreciable improvement compared to prior testing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Metamodeling Time-Temperature Creep Parameters

Abstract There exist many time-temperature parameter (TTP) models for creep rupture prediction of components including the Larson–Miller (LM), Manson–Haferd (MH), Manson–Brown (MB), Orr–Sherby–Dorn (OSD), Manson–Succop (MS), Graham–Walles (GW), Chitty–Duval (CD), Goldhoff–Sherby (GS) models. It remains a challenge to determine which model is “best”, capable of accurate interpolation and physically realistic extrapolation of creep rupture data for a given material. In this study, metamodeling is applied to create a unified TTP metamodel that combines and regresses into twelve TTP models (eight existing and four newly derived). An analysis of the mathematical problems that exist in TTP models is provided. A matlab code is written that can: (1) calibrate the material constants of any of the twelve TTP models (using the metamodel); (2) determine the most suitable stress-parameter function; (3) and report the normalized mean square error (NMSE) of rupture predictions for a given material database. Using the metamodel, and code, a design engineer can make an intelligent selection of the “best” TTP model for creep resistant design. This process is demonstrated using four isotherms of alloy P91 creep rupture data. To assess the influence of material, further validation is performed on alloys Hastelloy X, 304SS, and 316SS. It is determined that the “best” model is dependent on material type and the quality and quantity of available data.

Engineering↗

DOE OSTI2020

The Installation of Direct Water-Cooling Systems to Reduce Cooling Energy Requirements for High-Performance Computing Centers

A large cluster of High-Performance Computing (HPC) equipment at the Lawrence Livermore National Laboratory in California was retrofitted with an Asetek cooling system. The Asetek system is a hybrid scheme with water-cooled cold plates on high-heat-producing components in the information technology (IT) equipment, and with the remainder of the heat being removed by conventional air-cooling systems. In order to determine energy savings of the Asetek system, data were gathered and analyzed two ways: using top-down statistical models, and bottom-up engineering models. The cluster, “Cabernet”, rejected its heat into a facilities cooling water loop which in turn rejected the heat into the same chilled water system serving the computer-room air handlers (CRAHs) that provided the air-based cooling for the room. Because the “before” and “after” cases both reject their heat into the chilled water system, the only savings is due to reduction in CRAH fan power. The top-down analysis showed a 4% overall energy savings for the data center (power usage effectiveness (PUE) —the ratio of total data center energy to IT energy— dropped from 1.60 to 1.53, lower is better); the bottom-up analysis showed a 3% overall energy savings (PUE from 1.70 to 1.66) and an 11% savings for the Cabernet system by itself (partial PUE of 1.51). Greater savings, on the order of 15-20%, would be possible if the chilled water system was not used for rejecting the heat from the Asetek system. About 37% of the heat from the Cab system was rejected to the cooling water, lower than at other installations.

Earni, Shankar↗

DOE OSTI2022

Idea to Deliverable: The Engineering Design Process

The engineering design process is utilized to evolve an idea into a deliverable. This progression can take years, so to experience as much of the full design process as possible, this internship period was dedicated to working on several projects in different phases of the process. The result is a completed engineering project which provides a foundation that can be used to conduct research on a system by performing experiments, collecting data, and making changes as necessary to improve the system and answer new questions.

42 ENGINEERING↗

DOE OSTI2025

Bridging Equipment Reliability Data and Risk Informed Decisions in a Plant Operation Context

Industry equipment reliability and asset management programs are essential elements that help ensure the safe and economical operation of nuclear power plants. The effectiveness of these programs is addressed in several industry-developed and regulatory programs. The Risk-Informed Asset Management (RIAM) project is tasked to develop tools in support of the equipment reliability and asset management programs at nuclear power plants. These tools are designed to create a direct bridge between component health/lifecycle data and decision making (e.g., maintenance scheduling and project prioritization). The goal of this article is to provide a guide for specific use cases that the RIAM project is targeting. We have grouped uses cases into three main areas. The first area focuses on the analysis of equipment reliability data with a particular emphasis on condition-based data, such as test/surveillance reports and component monitoring data. The second area focuses on the integration of equipment reliability into system/plant reliability models to determine system/plant health and identify the components that are critical to maintain an operational system. Lastly, the third area manages plant resources, such as maintenance activities and replacement scheduling using optimization methods. Here the primary focus is on supporting typical system engineer decisions regarding maintenance activity scheduling and component aging management. This is performed in a risk-informed context where the term “risk” is broadly constructed to include both plant reliability and economics. This framework combines data analytics tools to analyze equipment reliability data with risk-informed methods designed to support system engineer decisions (e.g., maintenance and replacement schedules, optimal maintenance posture) in a customizable workflow.

97 - MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Evaluation of the cytotoxic and cellular proteome impacts of food-grade TiO2 (E171) using simulated gastrointestinal digestions and a tri-culture small intestinal epithelial model

Engineered nanomaterials (ENMs) are widely used in the food industry; however, regulations for ENMs in food are still in the early stages of development due to insufficient health data. This study investigated the cytotoxicity and changes to the proteomic profile in an in vitro small intestinal epithelium model after exposure to digested food models containing the ubiquitous engineered particulate food additive, TiO2 (E171). TiO2 at 0.75% or 1.5% (w/w) concentrations in either a fasting food model (FFM) or a standardized food model (SFM) based on American diet were digested using an in vitro oral-gastric-small intestinal simulator, and the resulting digestas were applied to a small intestinal epithelium tri-culture cellular model. Effects on cell layer integrity, cytotoxicity, and oxidative stress were assessed. In order to explore impact on cellular processes beyond basic cytotoxicity, mass spectrometrybased quantitative proteomic analyses of control and exposed tri-culture cells was performed. TiO2 in FFM, but not in SFM, produced significant, dose-dependent cytotoxicity, and at the higher dose caused significant oxidative stress, indicative of a food matrix effect. No significant perturbations of the cellular proteome were observed with TiO2 in either FFM or SFM food models. However, proteins involved in the tricarboxylic acid (TCA) cycle, gluconeogenesis, and translation were up-regulated by digestas from SFM compared to those from FFM, also indicative of food matrix effects in the case of food models alone. Interestingly, the differences in profiles between the two food models was more pronounced in the presence of TiO2 indicative of food matrix effects. Together, these results indicate that TiO2 in a fasting diet may be slightly cytotoxic, and that ingested TiO2 does not significantly alter the epithelial proteome, whereas the food matrix alone can have a dramatic effect on the proteome.

Cao, Xiaoqiong↗