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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Developing Multiphysics, Integrated, High-Fidelity, Massively Parallel Computational Capabilities for Fusion Applications Using MOOSE

As the need for fusion as a clean, sustainable, and abundant energy source grows internationally, so does the need for multiphysics, computational tools to model, study, and predict the complex interactions between plasma, materials, and engineering processes. These tools have a crucial role to play in solving scientific and engineering challenges and accelerating fusion energy deployment. To address these needs, modeling capabilities should enable massively parallel, multiphysics, fully integrated high-fidelity simulations of fusion systems. Additional attributes, such as being open source and modular while maintaining high software quality assurance standards will maximize impact by ensuring accessibility for all and wide acceptance, rapid expansion and development, as well as reliability, efficiency, and robustness. In this paper, we describe how the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, which has a track record of success in the fission space thanks to the attributes listed above, can be leveraged in the fusion energy field. We highlight key successes of the MOOSE application in the fission space and describe how MOOSE has been and is being applied to fusion applications in the United States---e.g., Tritium Migration Analysis Program, version 8 (TMAP8), MOOSE Fusion Module, Fusion ENergy Integrated multiphys-X (FENIX)---and the United Kingdom---e.g., AURORA, Achlys, Apollo. These efforts aim to establish a suite of tools that can be further extended to accelerate fusion energy deployment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A simple and practical process modeling methodology for pressure swing adsorption

Although many dynamic models exist for the design and simulation of pressure swing adsorption (PSA) processes, these models involve the solution of a complex system of coupled partial differential equations. Process engineers need a simple, practical, and yet robust short-cut model that helps decide whether to implement a PSA system in a process flowsheet. This work presents a “virtual” moving bed modeling methodology that considers only mass and energy balances and adsorption isotherms to describe the cyclic steady state behavior of PSA systems. Similar to tray efficiencies in distillation calculations, adsorption efficiencies are further introduced to account for system “non-ideality.” Finally, a lab-scale air separation system is used to illustrate the application of this modeling methodology.

42 ENGINEERING↗
DOE OSTI2024

Flux REaction TArget Prioritization (Flux RETAP) v1

Metabolic engineering is evolving rapidly as a result of new advances in synthetic biology and automation, as well as the irruption of machine learning (ML). ML has been shown to provide the predictive power synthetic biology lacked and needed, and to be able to effectively guide the metabolic engineering process. However, current technical limitations prevent the independent application of ML approaches to metabolic engineering without the use of previous biological knowledge in the form of a prioritized list of desirable engineering targets. Here, we present FluxRETAP, a simple and computationally inexpensive method that leverages the prior mechanistic knowledge embedded in genome-scale metabolic models (GSMs) for suggesting targets for genetic overexpression, downregulation or deletion, with the final goal of increasing metabolite production. FluxRETAP captured 100% of reaction targets experimentally verified to improve Escherichia coli isoprenol production in the literature accessible to us, 50% of targets that experimentally improved taxadiene production in E. coli and ~60% of genetic targets from a verified minimal constrained cut-set in Pseudomonas putida while providing additional high priority targets that could be tested. Overall, FluxRETAP is an efficient algorithm for identifying a prioritized list of testable genetic and reaction targets which can also be utilized in ML pipelines.

Czajka, Jeffrey [Battelle Memorial Institute, Paci↗
DOE OSTI2013

IN-LINE CHEMICAL SENSOR DEPLOYMENT IN A TRITIUM PLANT

The Savannah River Tritium Plant (TP) relies on well understood but aging sensor technology for process gas analysis. Though new sensor technologies have been brought to various readiness levels, the TP has been reluctant to install technologies that have not been tested in tritium service. This gap between sensor technology development and incorporating new technologies into practical applications demonstrates fundamental challenges that exist when transitioning from status quo to state-of-the-art in an extreme environment such as a tritium plant. These challenges stem from three root obstacles: 1) The need for a comprehensive assessment of process sensing needs and requirements; 2) The lack of a pick-list of process-compatible sensor technologies; and 3) The need to test technologies in a tritium-contaminated process environment without risking production. At Savannah River, these issues are being addressed in a two phase project. In the first phase, TP sensing requirements were determined by a team of process experts. Meanwhile, Savannah River National Laboratory sensor experts identified candidate technologies and related them to the TP processing requirements. The resulting roadmap links the candidate technologies to actual plant needs. To provide accurate assessments of how a candidate sensor technology would perform in a contaminated process environment, an instrument demonstration station was established within a TP glove box. This station was fabricated to TP process requirements and designed to handle high activity samples. The combination of roadmap and demonstration station provides the following assets: Creates a partnership between the process engineers and researchers for sensor selection, maturation, and insertion, Selects the right sensors for process conditions Provides a means for safely inserting new sensor technology into the process without risking production, and Provides a means to evaluate off normal occurrences where and when they occur. This paper discusses the process to identify and demonstrate new sensor technologies for the Savannah River TP.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Enhanced accuracy through ensembling of randomly initialized auto-regressive models for dynamical systems

Computational mechanics simulations using traditional finite element methods (FEM) require prohibitively expensive computational resources for real-time engineering applications, design optimization, and digital twin implementations. While machine learning (ML) surrogate models offer significant computational speedups, autoregressive ML models for time-dependent mechanical systems suffer from error accumulation that compromises long-term prediction reliability - a critical concern for engineering applications where accuracy over extended time horizons is essential for safety and performance assessments. Here, we propose a deep ensemble framework specifically designed to address this challenge in computational mechanics applications, where multiple ML surrogate models with random weight initializations are trained in parallel and their predictions aggregated during inference. This approach leverages statistical diversity to maximize information gain from a fixed set of training data and to mitigate error propagation, while maintaining the computational efficiency that makes ML surrogates attractive for engineering practice. We validate the framework on three representative problems spanning critical areas of computational mechanics: stress field evolution in heterogeneous microstructures under complex loading (relevant to advanced materials design and composite analysis), planetary-scale shallow water dynamics (applicable to environmental and geotechnical engineering), and Gray-Scott reaction-diffusion systems (relevant to mass transport and chemical process engineering). Across all test cases, the ensemble approach demonstrates consistent error reduction of 15-33% compared to individual models. The codes for this work are available on GitHub (https://github.com/Graham-Brady-Research-Group/AutoregressiveEnsemble_SpatioTemporal_Evolution).

autoregressive prediction↗
DOE OSTI2014

Fundamental Aspects of Selective Melting Additive Manufacturing Processes

Certain details of the additive manufacturing process known as selective laser melting (SLM) affect the performance of the final metal part. To unleash the full potential of SLM it is crucial that the process engineer in the field receives guidance about how to select values for a multitude of process variables employed in the building process. These include, for example, the type of powder (e.g., size distribution, shape, type of alloy), orientation of the build axis, the beam scan rate, the beam power density, the scan pattern and scan rate. The science-based selection of these settings con- stitutes an intrinsically challenging multi-physics problem involving heating and melting a metal alloy, reactive, dynamic wetting followed by re-solidification. In addition, inherent to the process is its considerable variability that stems from the powder packing. Each time a limited number of powder particles are placed, the stacking is intrinsically different from the previous, possessing a different geometry, and having a different set of contact areas with the surrounding particles. As a result, even if all other process parameters (scan rate, etc) are exactly the same, the shape and contact geometry and area of the final melt pool will be unique to that particular configuration. This report identifies the most important issues facing SLM, discusses the fundamental physics associated with it and points out how modeling can support the additive manufacturing efforts.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Strategic Value of Human Factors Engineering in Control Room Modernization

Control room modernization is one of the most challenging and complex upgrade projects that a nuclear power plant can undertake. It can have almost as big an impact on operations as, for example, turbine replacement. The challenges of migrating an analog control system to a distributed control system are already well known and a number of nuclear utilities have embarked upon various levels of effort to upgrade some of the systems in the control room. When planning for control room upgrades, plants have to deal with a multitude of engineering, operational, and regulatory impacts. This will inevitably include several human factors considerations, such as workstation ergonomics, viewing angles, lighting, seating, new interaction modalities, new communication requirements, and new concepts of operation. In helping nuclear power utilities to deal with these challenges, the United States Department of Energy researchers located at Idaho National Laboratory (INL) have developed research-based human factors design and evaluation methods to be used in the development of end-state concepts for modernized control rooms and to manage the various phases of the upgrade life cycle. The methodology includes interactive sessions with operators in INL’s Human System Simulation Laboratory, three-dimensional modeling to visualize control board changes and operator-system interaction, and development of human-system prototypes to evaluate various aspects of proposed modifications. This methodology has been applied at a number of U.S. nuclear power plants where modernization projects are underway, including Exelon’s Braidwood and Byron plants, and Arizona Public Service's Palo Verde plant. It was demonstrated that including this methodology in the plant’s engineering process helps to ensure an integrated and cohesive outcome that is consistent with human factors engineering principles and provide substantial improvement in operator performance.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2014

Scale-Up Information for Gas-Phase Ammonia Treatment of Uranium in the Vadose Zone at the Hanford Site Central Plateau

Uranium is present in the vadose zone at the Hanford Central Plateau and is of concern for protection of groundwater. The Deep Vadose Zone Treatability Test Plan for the Hanford Central Plateau identified gas-phase treatment and geochemical manipulation as potentially effective treatment approaches for uranium and technetium in the Hanford Central Plateau vadose zone. Based on laboratory evaluation, use of ammonia vapor was selected as the most promising uranium treatment candidate for further development and field testing. While laboratory tests have shown that ammonia treatment effectively reduces the mobility of uranium, additional information is needed to enable deployment of this technology for remediation. Of importance for field applications are aspects of the technology associated with effective distribution of ammonia to a targeted treatment zone, understanding the fate of injected ammonia and its impact on subsurface conditions, and identifying effective monitoring approaches. In addition, information is needed to select equipment and operational parameters for a field design. As part of development efforts for the ammonia technology for remediation of vadose zone uranium contamination, field scale-up issues were identified and have been addressed through a series of laboratory and modeling efforts. This report presents a conceptual description for field application of the ammonia treatment process, engineering calculations to support treatment design, ammonia transport information, field application monitoring approaches, and a discussion of processes affecting the fate of ammonia in the subsurface. The report compiles this information from previous publications and from recent research and development activities. The intent of this report is to provide technical information about these scale-up elements to support the design and operation of a field test for the ammonia treatment technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Development of a Novel Gas Pressurized Stripping Process-Based Technology for CO₂ Capture from Post-Combustion Flue Gases

A novel Gas Pressurized Stripping (GPS) post-combustion carbon capture (PCC) process has been developed by Carbon Capture Scientific, LLC, CONSOL Energy Inc., Nexant Inc., and Western Kentucky University in this bench-scale project. The GPS-based process presents a unique approach that uses a gas pressurized technology for CO₂ stripping at an elevated pressure to overcome the energy use and other disadvantages associated with the benchmark monoethanolamine (MEA) process. The project was aimed at performing laboratory- and bench-scale experiments to prove its technical feasibility and generate process engineering and scale-up data, and conducting a techno-economic analysis (TEA) to demonstrate its energy use and cost competitiveness over the MEA process. To meet project goals and objectives, a combination of experimental work, process simulation, and technical and economic analysis studies were applied. The project conducted individual unit lab-scale tests for major process components, including a first absorption column, a GPS column, a second absorption column, and a flasher. Computer simulations were carried out to study the GPS column behavior under different operating conditions, to optimize the column design and operation, and to optimize the GPS process for an existing and a new power plant. The vapor-liquid equilibrium data under high loading and high temperature for the selected amines were also measured. The thermal and oxidative stability of the selected solvents were also tested experimentally and presented. A bench-scale column-based unit capable of achieving at least 90% CO₂ capture from a nominal 500 SLPM coal-derived flue gas slipstream was designed and built. This integrated, continuous, skid-mounted GPS system was tested using real flue gas from a coal-fired boiler at the National Carbon Capture Center (NCCC). The technical challenges of the GPS technology in stability, corrosion, and foaming of selected solvents, and environmental, health and safety risks have been addressed through experimental tests, consultation with vendors and engineering analysis. Multiple rounds of TEA were performed to improve the GPS-based PCC process design and operation, and to compare the energy use and cost performance of a nominal 550-MWe supercritical pulverized coal (PC) plant among the DOE/NETL report Case 11 (the PC plant without CO₂ capture), the DOE/NETL report Case 12 (the PC plant with benchmark MEA-based PCC), and the PC plant using GPS-based PCC. The results reveal that the net power produced in the PC plant with GPS-based PCC is 647 MWe, greater than that of the Case 12 (550 MWe). The 20-year LCOE for the PC plant with GPS-based PCC is 97.4 mills/kWh, or 152% of that of the Case 11, which is also 23% less than that of the Case 12. These results demonstrate that the GPS-based PCC process is energy-efficient and cost-effective compared with the benchmark MEA process.

Chen, Shiaoguo↗
DOE OSTI2020

Stochasticity in microbiology: managing unpredictability to reach the Sustainable Development Goals

Pure (single) cultures of microorganisms and mixed microbial communities (microbiomes) have been important for centuries in providing renewable energy, clean water and food products to human society and will continue to play a crucial role to pursue the Sustainable Development Goals. To use microorganisms effectively, microbial engineered processes require adequate control. Microbial communities are shaped by manageable deterministic processes, but also by stochastic processes, which can promote unforeseeable variations and adaptations. Here, we highlight the impact of stochasticity in single culture and microbiome engineering. First, we discuss the concepts and mechanisms of stochasticity in relation to microbial ecology of single cultures and microbiomes. Second, we discuss the consequences of stochasticity in relation to process performance and human health, which are reflected in key disadvantages and important opportunities. Third, we propose a suitable decision tool to deal with stochasticity in which monitoring of stochasticity and setting the boundaries of stochasticity by regulators are central aspects. Stochasticity may give rise to some risks, such as the presence of pathogens in microbiomes. We argue here that by taking the necessary precautions and through clever monitoring and interpretation, these risks can be mitigated.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Preliminary Design Process for Networked Microgrids

Changes in economic, technology, and environmental policies are resulting in a re-evaluation of the dependence on large central generation facilities and their associated transmission networks. Emerging concepts of smart communities/cities are examining the potential to leverage cleaner sources of generation, and the potential to integrate electricity generation with other municipal functions. When grid-connected, these generation assets can supplement the existing interconnections with the bulk transmission system, and in the event of an extreme event, they can provide power via networks of microgrids. While the design process for a single stand-alone microgrid is relatively well understood, the process of designing the infrastructure for networked microgrid operations has not been well studied. Because of the wide range of potential operational goals for microgrids, it is typical to follow the engineering process of developing an initial conceptual design, a preliminary design, a detailed design, and then a final as-built design. The conceptual design is typically completed without detailed engineering analysis, and the preliminary design is the first stage that requires it. This paper presents a process for developing the preliminary design for networked microgrids, which can then be used as a basis for the final as-built design.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Global optimization of multicomponent distillation configurations: Global minimization of total cost for multicomponent mixture separations

We introduce a global optimization framework for determining the minimum cost required to distill any ideal or near-ideal multicomponent mixture into its individual constituents using a sequence of columns. This new framework extends the Global Minimization Algorithm (GMA) previously introduced by Nallasivam et al. (2016); and we refer to the new framework as the Global Minimization Algorithm for Cost (GMAC). GMAC guarantees global optimality by formulating a nonlinear program (NLP) for each and every distillation configuration in the search space and solving it using global optimization solvers. In conclusion, the case study presented in this work not only demonstrates the need for developing such an algorithm, but also shows the flexibility and effectiveness of GMAC, which enables process engineers to design and retrofit energy efficient and cost-effective distillation configurations.

42 ENGINEERING↗
DOE OSTI2021

Cellular fluidics

The natural world provides many examples of multiphase transport and reaction processes that have been optimized by evolution. These phenomena take place at multiple length and time scales and typically include gas–liquid–solid interfaces and capillary phenomena in porous media. Many biological and living systems have evolved to optimize fluidic transport. However, living things are exceptionally complex and very difficult to replicate, and human-made microfluidic devices (which are typically planar and enclosed) are highly limited for multiphase process engineering. In this paper, we introduce the concept of cellular fluidics: a platform of unit-cell-based, three-dimensional structures—enabled by emerging 3D printing methods—for the deterministic control of multiphase flow, transport and reaction processes. We show that flow in these structures can be ‘programmed’ through architected design of cell type, size and relative density. We demonstrate gas–liquid transport processes such as transpiration and absorption, using evaporative cooling and CO 2 capture as examples. We design and demonstrate preferential liquid and gas transport pathways in three-dimensional cellular fluidic devices with capillary-driven and actively pumped liquid flow, and present examples of selective metallization of pre-programmed patterns. Our results show that the design and fabrication of architected cellular materials, coupled with analytical and numerical predictions of steady-state and dynamic behaviour of multiphase interfaces, provide deterministic control of fluidic transport in three dimensions. Cellular fluidics may transform the design space for spatial and temporal control of multiphase transport and reaction processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Increased Fissile Loading Flowsheet Review

A request was made by H-Canyon Process Engineering to assess the impact of blending dissolved, neutralized Spent Nuclear Fuel (SNF) with future sludge batches and their impact on downstream processing facilities including the Concentration, Storage and Transfer Facilities (CSTF), the Salt Waste Processing Facility (SWPF), the Defense Waste Processing Facility (DWPF), Saltstone, and the Effluent Treatment Facility (ETF). The purpose of this change is to accelerate the deinventory of SNF which is currently stored in the L-Area Disassembly Basin. The addition of SNF increases the mass of fissiles in each future sludge batch, due to their high enrichment. This high enrichment has the potential to complicate the programs to eliminate criticality events in the downstream processing facilities and will increase the number of canisters produced by DWPF because of the SNF mass increase. A separate report addressed the impacts to glass. The review and subsequent calculations were based on average predicted compositions of Accelerated Basin Deinventory (ABD) slurry, average compositions for predicted future sludge batches, average past salt batches and average past recycle batches to predict the feeds that will be processed in SWPF, DWPF, Saltstone, the 2H evaporator and ETF. Each of the processes was evaluated for potential issues.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Cultural Perspectives of the 2016 Nonlinear Mechanics and Dynamics Research Institute

This report analyzes the results of a study on culture and its capability to influence research. The study occurred during the 2016 Nonlinear Mechanics and Dynamics Summer Research Institute, a six-week research program sponsored by Sandia National Laboratories and the University of New Mexico consisting of 27 graduate students participating in ten different projects. Two separate surveys were administered at the beginning and end of the Institute, in addition to interviews and observation, in order to study the effects of various cultural factors on engineering processes and maintaining professional interactions. The results of this study indicate that cultural differences are not a significant barrier to engineering progress and most cultural issues are minor. A variety of cultures instead provide new perspectives, advancing universal understanding.

42 ENGINEERING↗
DOE OSTI2021

Increased Fissile Loading Flowsheet Review

A request was made by H-Canyon Process Engineering to assess the impact of blending dissolved, neutralized Spent Nuclear Fuel (SNF) with future sludge batches and their impact on downstream processing facilities. The purpose of this change is to accelerate the deinventory of SNF which is currently stored in the L-Area Disassembly Basin.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Prototype HB650 Transportation Validation For The PIP-II Project

The PIP-II Project at Fermilab is centered around a superconducting 800 MeV proton linac to upgrade and modernize the Fermilab accelerator complex, allowing increased beam current to intensity frontier experiments such as LBNF-DUNE. PIP-II includes strong international collaborations, including the delivery of 12 cryomodules from European labs to FNAL (3 from STFC-UKRI in the UK and 9 from CEA in France). The transatlantic shipment of these completed modules is identifed as a serious risk for the project. To mitigate this risk, a rigorous and systematic process has been developed to design and validate a transport system, including specifcation, procedures, logistics, and realistic testing. This paper will detail the engineering process used to manage this effort across the collaboration and the results of the first major validation testing of the integrated shipping system prior to use with a cryomodule.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Automatic building energy model development and debugging using large language models agentic workflow

Building energy modeling (BEM) is a complex process that demands significant time and expertise, limiting its broader application in building design and operations. While Large Language Models (LLMs) agentic workflow have facilitated complex engineering processes, their application in BEM has not been specifically explored. This paper investigates the feasibility of automating BEM using LLM agentic workflow. Here, we developed a generic LLM-planning-based workflow that takes a building description as input and generates an error-free EnergyPlus building energy model. Our robust workflow includes four core agents: 1) Building Description Pre-Processing, 2) IDF Object Information Extraction, 3) Single IDF Object Generator Suite, and 4) IDF Debugging Agent. These agents divide the complex tasks into manageable sub-steps, enabling LLMs to generate accurate and reliable results at each stage. The case study demonstrates the successful translation of a building description into an error-free EnergyPlus model for the iUnit modular building at the National Renewable Energy Laboratory. The effectiveness of our workflow surpasses: 1) naive prompt engineering, 2) other LLM-based workflows, and 3) manual modeling, in terms of accuracy, reliability, and time efficiency. The paper concludes with a discussion on the interplay between foundational models and LLM agent planning design, advocating for the use of fine-tuned, specialized models to advance this field.

97 MATHEMATICS AND COMPUTING↗