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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dynamic responses of submerged components in advanced reactors: experimental and numerical studies

The seismic design of an advanced nuclear reactor must consider the interaction of vessel internal components with the surrounding coolant: fluid–structure interaction (FSI). Available analytical solutions for FSI of submerged components do not accommodate multiple-component, intense seismic inputs and complex reactor and internal geometries. Physical testing of reactor vessels and internals to inform seismic design is impractical and cost-prohibitive, leaving the use of verified and validated, robust numerical models as the only plausible option for analysis and design. Physical data that could be used for validating such numerical models for multi-component shaking are not available. This article describes an experimental program performed on a 6-degree-of-freedom earthquake simulator to generate data that could support validation of seismic FSI numerical models for submerged components in commercial finite element codes. A scaled model of a base-supported reactor vessel with simplified representations of submerged internals was tested to generate submerged-component response histories for a range of seismic inputs. The generated data were used to validate numerical models in the finite element code LS-DYNA. Numerical models were validated for calculation of hydrodynamic pressure responses on internals, in-water frequencies of internals, and acceleration responses of internals. The generated data and the analysis recommendations could aid engineering analysts designing submerged components and systems for seismic effects.

Engineering↗
DOE OSTI2023

Robust Parameter Design on Dual Stochastic Response Models With Constrained Bayesian Optimization

In engineering system design, minimizing the variations of the quality measurements while guaranteeing their overall quality up to certain levels, namely the robust parameter design (RPD), is crucial. Recent works have dealt with the design of a system whose response-control variables relationship is a deterministic function with a complex shape and function evaluation is expensive. In this work, we propose a Bayesian optimization method for the RPD of stochastic functions. Dual stochastic response models are carefully designed for stochastic functions. The heterogeneous variance of the sample mean is addressed by the predictive mean of the log variance surrogate model in a two-step approach. We establish an acquisition function that favors exploration across the feasible and optimality-improvable regions to effectively and efficiently solve the stochastic constrained optimization problem. Further, the performance of our proposed method is demonstrated by the extensive numerical and case studies. Note to Practitioners-Many manufacturing processes involve undesirable variations, which create variations in the final products. For example, many emerging manufacturing processes, such as nanomanufacturing, involve complex physical and chemical dynamics and transformation, creating variations in the manufacturing output. In such processes, it is crucial to design the manufacturing processes or products so that they have minimum variations in their quality. Meanwhile, it is also important to maintain the overall quality of the designed processes or products. Furthermore, acquiring data from many advanced manufacturing processes is often very costly, especially in the designing stage. In this work, we propose a data-driven method that automatically finds the best setting of manufacturing processes or products with the minimum variations of quality and a given constraint on the average quality satisfied. Our proposed method is used before conducting every experiment; It analyzes the historical data from previous experiments and provides a setting to be used in the next experiment. Our proposed method efficiently utilizes the historical data, and thus finds the best robust setting by conducting only a small number of experiments.

42 ENGINEERING↗
DOE OSTI2020

In vitro prototyping of limonene biosynthesis using cell-free protein synthesis

Metabolic engineering of microorganisms to produce sustainable chemicals has emerged as an important part of the global bioeconomy. Unfortunately, efforts to design and engineer microbial cell factories are challenging because design-build-test cycles, iterations of re-engineering organisms to test and optimize new sets of enzymes, are slow. To alleviate this challenge, we demonstrate a cell-free approach termed in vitro Prototyping and Rapid Optimization of Biosynthetic Enzymes (or iPROBE). In iPROBE, a large number of pathway combinations can be rapidly built and optimized. The key idea is to use cell-free protein synthesis (CFPS) to manufacture pathway enzymes in separate reactions that are then mixed to modularly assemble multiple, distinct biosynthetic pathways. As a model, we apply our approach to the 9-step heterologous enzyme pathway to limonene in extracts from Escherichia coli. In iterative cycles of design, we studied the impact of 54 enzyme homologs, multiple enzyme levels, and cofactor concentrations on pathway performance. In total, we screened over 150 unique sets of enzymes in 580 unique pathway conditions to increase limonene production in 24 h from 0.2 to 4.5 mM (23–610 mg/L). Finally, to demonstrate the modularity of this pathway, we also synthesized the biofuel precursors pinene and bisabolene. Finally, we anticipate that iPROBE will accelerate design-build-test cycles for metabolic engineering, enabling data-driven multiplexed cell-free methods for testing large combinations of biosynthetic enzymes to inform cellular design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Thermal properties of simulated Hanford waste glasses

Abstract The Hanford Tank Waste Treatment and Immobilization Plant will vitrify the mixed hazardous wastes generated from 45 years of plutonium production at the Hanford Site in Washington State. The molten glasses will be poured into stainless steel containers or canisters and subsequently cooled for storage and disposal. For appropriate facility design and operations to handle such highly energy‐consuming processes, knowledge of the material properties is required. The thermal properties (heat capacity, thermal diffusivity, and thermal conductivity) of representative high‐level and low‐activity waste glasses were studied as functions of temperature in the range of 200°C‐800°C (relevant to the cooling process). Simultaneous differential scanning calorimetry‐thermal gravimetry (DSC‐TGA), Xe‐flash diffusivity, pycnometry, and dilatometry were implemented. The study showed that simultaneous DSC‐TGA would be a reliable method for obtaining the heat capacity of various glasses in the temperature range of interest. Accurate thermal properties from this study were shown to provide a more realistic guideline for capacity and time constraints of the heat removal process when compared to the original conservative design‐basis engineering estimates. The estimates, though useful for design in the absence of measured physical properties, can now be supplanted and the measured thermal properties can be used in design verification activities.

Rodriguez, Carmen P.↗
DOE OSTI2025

Progress on the MARVEL Cybersecurity by Design Model-Based Systems Engineering Project

Formal model-based systems engineering (MBSE) combines a model, systems thinking, and systems engineering to visually depict the boundaries, context, and behavior of interconnected systems, facilitating effective design, development, and utilization of engineered systems throughout the systems engineering lifecycle. Although nuclear reactor vendors employ these tools to integrate functionality, performance, and safety, they are not yet addressing digital risk concerns introduced by use of operational technology, such as digital instrumentation and control systems. To accomplish this objective, the Microreactor Applications Research Validation and EvaLuation (MARVEL) microreactor was used as an MBSE case study. This real-world application provides a first-of-a-kind opportunity to demonstrate the benefits of integrating digital risk and cybersecurity into the MBSE design process of a nuclear reactor. This paper provides an update of the ongoing MARVEL Cyber MBSE project as it specifically relates to the integration of digital risk management and cybersecurity by design.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Photosynthetic terpene hydrocarbon production for fuels and chemicals

Summary Photosynthetic hydrocarbon production bypasses the traditional biomass hydrolysis process and represents the most direct conversion of sunlight energy into the next‐generation biofuels. As a major class of biologically derived hydrocarbons with diverse structures, terpenes are also valuable in producing a variety of fungible bioproducts in addition to the advanced ‘drop‐in’ biofuels. However, it is highly challenging to achieve the efficient redirection of photosynthetic carbon and reductant into terpene biosynthesis. In this review, we discuss four major scientific and technical barriers for photosynthetic terpene production and recent advances to address these constraints. Collectively, photosynthetic terpene production needs to be optimized in a systematic fashion, in which the photosynthesis improvement, the optimization of terpene biosynthesis pathway, the improvement of key enzymes and the enhancement of sink effect through terpene storage or secretion are all important. New advances in synthetic biology also offer a suite of potential tools to design and engineer photosynthetic terpene platforms. The systemic integration of these solutions may lead to ‘disruptive’ technologies to enable biofuels and bioproducts with high efficiency, yield and infrastructure compatibility.

Wang, Xin↗
DOE OSTI2014

Evolution of atomic structure during nanoparticle formation

Understanding the mechanism of nanoparticle formation during synthesis is a key prerequisite for the rational design and engineering of desirable materials properties, yet remains elusive due to the difficulty of studying structures at the nanoscale under real conditions. Here, the first comprehensive structural description of the formation of a nanoparticle, yttria-stabilized zirconia (YSZ), all the way from its ionic constituents in solution to the final crystal, is presented. The transformation is a complicated multi-step sequence of atomic reorganizations as the material follows the reaction pathway towards the equilibrium product. Prior to nanoparticle nucleation, reagents reorganize into polymeric species whose structure is incompatible with the final product. Instead of direct nucleation of clusters into the final product lattice, a highly disordered intermediate precipitate forms with a local bonding environment similar to the product yet lacking the correct topology. During maturation, bond reforming occurs by nucleation and growth of distinct domains within the amorphous intermediary. The present study moves beyond kinetic modeling by providing detailed real-time structural insight, and it is demonstrated that YSZ nanoparticle formation and growth is a more complex chemical process than accounted for in conventional models. This level of mechanistic understanding of the nanoparticle formation is the first step towards more rational control over nanoparticle synthesis through control of both solution precursors and reaction intermediaries.

solar (photovoltaic), electrodes - solar, charge t↗
DOE OSTI2015

Environmental cleanup of the East Tennessee Technology Park - Year three - A status report - 15522

On August 1, 2011, URS - CH2M Oak Ridge LLC (UCOR) began its five-year, $1.4 billion cleanup of the East Tennessee Technology Park (ETTP), the former Oak Ridge Gaseous Diffusion Plant, located on the U.S. Department of Energy's (DOE) Oak Ridge Reservation (Reservation) in Tennessee. Under the contract, the base period scope of work to be completed by 2016 includes demolition of both the K-25 and K-31 gaseous diffusion buildings and all demolition waste dispositioned, initiation of demolition on the remaining K-27 gaseous diffusion building, safe storage of transuranic (TRU) waste for eventual transfer to the Transuranic Waste Processing Center, previously designated -No-Path-To-Disposition Waste- dispositioned to the extent possible, and completion of design and engineering of a mercury treatment system to be installed at the Y-12 National Security Complex (Y-12). UCOR will have also managed DOE Oak Ridge Office of Environmental Management (OREM)-owned facilities at ETTP, Oak Ridge National Laboratory (ORNL), and Y-12 in a safe and cost-effective manner. Since assuming responsibilities as the ETTP and Oak Ridge Reservation cleanup contractor, UCOR has completed its life-cycle Performance Measurement Baseline; received its Earned Value Management System (EVMS) certification; completed the deactivation and demolition (D and D) of the 44-acre K-25 gaseous diffusion building; removed and disposed of a contaminated underground storage tank (Tank W-1A) at ORNL; dispositioned mercury-contaminated storage tanks at Y-12; completed closure of the Toxic Substances Control Act Incinerator; disposed of more than 158,000 cubic yards of cleanup waste while managing the on-site Environmental Management Waste Management Facility (EMWMF); and conducted operations, surveillance, and maintenance activities at 180 DOE EM facilities at ETTP, ORNL, and Y-12 in a safe and cost-effective manner. In 2014, UCOR completed the removal and disposal of all of the K-25 demolition debris; completed the removal of asbestos-laden transite siding on the K-31 gaseous diffusion building and began demolition of that 17-acre building; advanced the characterization and deactivation of the K-27 gaseous diffusion building, readying the building for the start of demolition in 2015; advanced the design and engineering of a Mercury Treatment Facility to be located at Y-12; continued the cost-effective and safe disposition of all cleanup wastes; and readied ETTP for Voluntary Protection Program Star Status Assessment in 2015. Project performance as of December 31, 2014, continued to be excellent: - Cost Performance Index - 1.12 - Schedule Performance Index - 1.02 At the same time, since safety is the foundation of all cleanup work, UCOR's safety record goes hand-in-hand with its excellent project performance. Through calendar year 2014, UCOR's recordable injury rate was 1.04 occurrences per 200,000 work hours, and the lost workday case rate was 0.52. This performance continues to be due, in large part, to the people and processes URS and CH2M HILL, the parent companies of UCOR, brought to the project. Key enablers included: - Selected and deployed experienced staff in key leadership positions throughout the organization, continually re-energizing the organization with new leaders - Implemented previously successful safety programs and initiatives from other DOE sites, such as DOE's Voluntary Protection Program - Brought fresh thinking and innovation to tackling tough project issues, such as the deactivation of the Technetium-99-contaminated areas of K-27, applying lessons learned from the D and D of K-25; and implementing a -waste factory- approach to cleanup - Maintained continuing alignment between UCOR's contract with DOE and its Performance Measurement Baseline - rapidly addressing contract changes when they arose - Maintained a readiness both from a process as well as experienced personnel perspective to support DOE OREM in performing other significant Oak Ridge Reservation cleanup activities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Impact of Sr-Containing Secondary Phases on Oxide Conductivity in Solid-Oxide Electrolyzer Cells

Solid-oxide electrolyzer cells (SOECs) based on a yttria-stabilized zirconia (YSZ) oxide electrolyte produce hydrogen from water with the assistance of excess thermal energy; however, Sr diffusion within the Gd-doped CeO 2 (GDC) barrier layer during processing or operation can lead to the formation of unwanted secondary phases such as SrO and SrZrO 3 . Here, to establish and compare the degree of impact of these phases on SOEC performance, we conduct first-principles calculations to study their bulk oxide conductivities and compare them to that of the YSZ electrolyte. We find that SrO has a low conductivity arising from the poor mobility and low concentration of mobile oxygen vacancies, and its presence in SOECs should therefore be avoided. SrZrO 3 also has a lower oxide conductivity than YSZ; however, this discrepancy is primarily due to lower vacancy concentrations rather than low mobility. We find that sufficient levels of Y-doping on the Zr site can increase oxygen vacancy concentrations in SrZrO 3 to achieve an oxide ionic conductivity on par with that of YSZ, thereby mitigating any potential deleterious effect on transport performance. Energy-dispersive X-ray spectroscopy confirms that Y is the most common minority element present in SrZrO 3 forming near the GDC–YSZ interface, alleviating concerns regarding the impact of SrZrO 3 on device performance. These results from our combined computational–experimental analysis can inform future engineering strategies designed to limit the detrimental effects of Sr-induced secondary phase formation on SOEC performance.

08 HYDROGEN↗
DOE OSTI2021

Wyoming CarbonSAFE: Advancing Commercialization of Low-Carbon Energy Technologies in Fossil-Rich Wyoming

Wyoming’s Powder River Basin (PRB) is the most prolific coal producer and exporter in the United States and the State of Wyoming’s largest oil-producing basin. In addition to being a leading energy producer, the PRB is the site of research programs whose aim is to develop and integrate low-carbon technologies into existing fossil fuel energy industries. Much of the PRB’s low-carbon research is focused around Dry Fork Station (DFS), which is the newest coal-fired power station in the western US. Currently, DFS hosts five carbon capture projects, including pilot-scale capture projects that utilize different capture technologies and a full front-end engineering and design (FEED) study, a commercial CO 2 pipeline for nearby CO 2 -enhanced oil recovery industry, and is also co-located with the Wyoming Integrated Test Center, which is a host facility for unconventional carbon utilization research (i.e. flue gas carbon-to-products innovations). DFS is also the host site for the Wyoming CarbonSAFE project. Wyoming CarbonSAFE, funded by the Department of Energy/National Energy Technology Laboratory, is a multi-phased program (currently in Phase II) whose core objective is developing and validating storage sites within a complex capable of storing 50 million metric tonnes of CO 2 over a 30 year project period using carbon capture, utilization and storage (CCUS). This paper will provide an overview of the project to-date, showing that CarbonSAFE goals are achievable with respect to geologic, environmental, regulatory, CO 2 source and economic conditions, and why the State of Wyoming offers one of the more favorable environments to advance the commercialization studies. In 2019, the project team designed and completed a ~10,000 foot stratigraphic test well just south of DFS. From this well, the team collected over 600 feet of core, fluid samples from target injection zones, and a full petrophysical log suite. In addition, legacy 2D seismic lines were acquired and a 3D seismic survey was acquired in the fall of 2020. The objective of these field activities has been to identify and characterize target storage reservoirs and associated caprock. This complex has several reservoirs that could meet commercial injection goals, and over 4000 feet of associated caprock. Simulations of site performance suggest that stacked injection provides the most effective storage strategy, and would necessitate several sites within the greater complex to meet final project injection goals. Other work within this project includes the development of a business-case around proximal fields with CO 2 -enhanced oil recovery potential and existing tax credits, assessment of regulatory conditions, including pore space ownership and Class VI injection well permitting requirements, implementation of a robust public outreach Electronic copy available at: https://ssrn.com/abstract=3821220 GHGT-15 McLaughlin 2 program, and surface site characterization activities that have focused on environmental factors. In the PRB and at DFS, the State of Wyoming and other entities have made carbon management a priority of its future energy industry by providing a regulatory and business framework that is favorable to advancing these technologies. These endeavors will become more realistic with the successful implementation of Wyoming CarbonSAFE, and its ability to secure and validate commercial-scale CCUS at the center of Wyoming’s premier low-carbon research efforts.

McLaughlin, Fred↗
DOE OSTI2024

Assessing decision boundaries under uncertainty

In order to make design decisions, engineers may seek to identify regions of the design domain that are acceptable in a computationally efficient manner. A design is typically considered acceptable if its reliability with respect to parametric uncertainty exceeds the designer’s desired level of confidence. Despite major advancements in reliability estimation and in design classification via decision boundary estimation, the current literature still lacks a design classification strategy that incorporates parametric uncertainty and desired design confidence. To address this gap, this paper offers a novel interpretation of the acceptance region by defining the decision boundary as the hypersurface which isolates the designs that exceed a user-defined level of confidence given parametric uncertainty. This work addresses the construction of this novel decision boundary using computationally efficient algorithms that were developed for reliability analysis and decision boundary estimation. The approach proposed in this paper is verified on two physical examples from structural and thermal analysis using Support Vector Machines and Efficient Global Optimization-based contour estimation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Process Systems Engineering Perspective on the Design of Materials and Molecules

This paper aims to provide an overview of the current state of the art in molecule and material design and a perspective on open questions. First, we discuss the interplay between process design and the design of molecules and materials and then present the basic trade-offs and interdependencies that need to be considered in this integrated design problem. Second, we introduce methods and open questions in the area of processing materials, with special emphasis placed on heterogeneous catalysts due to their importance in the chemical industry. Finally, we discuss materials for photovoltaic cells as one example of a chemical product that is likely to help supply sustainable energy and address climate change concerns. This information presented here is based on presentations and discussions during the FIPSE-4 meeting in June 2018 (https://www.fi-in-pse.org/fipse-4- 2018).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Interface engineering for a rational design of poison-free bimetallic CO oxidation catalysts

We use density functional theory calculations of Pt@Cu core@shell nanoparticles (NPs) to design bifunctional poison-free CO oxidation catalysts. By calculating the adsorption chemistry under CO oxidation conditions, we find that the Pt@Cu NPs will be active for CO oxidation with resistance to CO-poisoning. The CO oxidation pathway at the Pt–Cu interface is determined on the Pt NP covered with a full- and partial-shell of Cu. The exposed portion of the Pt core preferentially binds CO and the Cu shell binds O2, supplying oxygen for the reaction. The Pt–Cu interface provides CO-oxidation sites that are not poisoned by either CO or O2. Additional computational screening shows that this separation of reactant binding sites is possible for several other core@shell NPs. Our results indicate that the metal–metal interface within a single NP can be optimized for design of bifunctional catalytic systems with improved performance.

Shin, Kihyun↗
DOE OSTI2021

A software package for plasma facing component analysis and design: the Heat flux Engineering Analysis Toolkit (HEAT)

The engineering limits of plasma facing components (PFCs) constrain the allowable operational space of tokamaks. Poorly managed heat fluxes that push the PFCs beyond their limits not only degrade core plasma performance via elevated impurities, but can also result in PFC failure due to thermal stresses or melting. Simple axisymmetric assumptions fail to capture the complex interaction between 3D PFC geometry and 2D or 3D plasmas. This results in fusion systems that must either operate with increased risk or reduce PFC loads, potentially through lower core plasma performance, to maintain a nominal safety factor. High precision 3D heat flux predictions are necessary to accurately ascertain the state of a PFC given the evolution of the magnetic equilibrium. A new code, the Heat flux Engineering Analysis Toolkit (HEAT), has been developed to provide high precision 3D predictions and analysis for PFCs. HEAT couples many otherwise disparate computational tools together into a single open source python package. Magnetic equilibrium, engineering CAD, finite volume solvers, scrape off layer plasma physics, visualization, high performace computing, and more, are connected in a single web-based user interface. Linux users may use HEAT without any software prerequisites via an appImage. This manuscript introduces HEAT, discusses the software architecture, presents first HEAT results, and outlines physics modules in development.

divertor physics↗