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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 487 records · Page 27

Challenge Problem 1: Preliminary Model Development and Assessment of Flexible Heat Transfer Modeling Approaches

This report presents the modeling progress of a university consortium studying flexible modeling for turbulent heat transfer. In the context of advanced nuclear reactor design, where challenges include non-unity Prandtl fluids, free and mixed convection, and transitional flow, computational fluid dynamics methods are underutilized due to low confidence in modeling approaches and high computational cost. This report evaluates the performance of engineering CFD models in diabatic, buoyant turbulent flow. It finds that all turbulence models including several variants of the k-ε and k-ω models struggle to predict accurate turbulent momentum and heat transfer in such flows. The Nusselt numbers have been compared between the models and the DNS data, where calculations have been performed for each case and trends have shown a good agreement between DNS estimated Nusselt numbers and available correlations as well as experimental data. A novel DNS correlation for high Pr cases as they are transitioning from mixed convection to natural convection has been proposed. While Nusselt number errors relative to DNS range from 20% to 50%, the models capture similar trends to DNS with respect to Nusselt suppression and amplification under varying levels of buoyancy effect. This report also highlights model form error as a significant contributor to CFD predictions and proposes a framework for quantifying model error and improving confidence in CFD calculations. To improve the predictive capability of engineering CFD models, data-driven approaches for turbulence models are investigated. Theoretical frameworks based on the invariant tensor / vector basis neural networks for prediction of Reynolds stresses and turbulent heat fluxes are employed. The models are developed using direct numerical simulations data for forced convection flows of different fluids in vertical planar channel domain. The framework is implemented in spectral element solvers Nek5000 / nekRS and has shown a potential for future development and consideration of mixed convection flows.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Bypass Flow Model Implementation for VERA BWR

The Virtual Environment for Reactor Applications (VERA) has been developed by the Consortium for Advanced Simulation of LWRs (CASL) over the past 10 years to address difficult problems facing commercial light-water reactors (LWRs). VERA comprises several high-fidelity physics packages, each of which models a different aspect of the reactor. These individual pieces are then linked to provide a fully coupled multiphysics solution for various LWR analyses.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

In-situ Photophysical Monitors and Corrective Algorithms for Photovoltaic Film Deposition and Rapid Thermal Processing in Scalable Roll-to-Roll Manufacturing

This project evaluated three photophysics-based approaches for in situ process monitoring of the scalable deposition of perovskite photovoltaic films. Based on stakeholder input and the results of laboratory trials and literature analysis, two techniques, angle resolved elastic light scattering (ARLS) and time-resolved photoluminescence (TRPL) were prototyped and demonstrated with a mixture of simulation, offline and online tests. Also, a hybrid gas flow and humidity control enclosure was constructed and demonstrated to stabilize the ambient conditions around the slot die deposition process and were demonstrated to meet the target humidity control in situ. Due in part to a delayed start and COVID-related lab restrictions and personnel changes, some of the milestones were not met. In spite of these challenges, however, both techniques were prototyped through several iterations and demonstrated significant promise for rapid in line perovskite characterization within the targeted characterization time windows and these techniques are under further development for use in DE-FOA000235:2357-1586. The TRPL system was fully mounted and demonstrated on the scaled slot die roll to roll and sheet coating systems at the Washington Clean Energy Testbeds (WCET). Motivated by significant internal and stakeholder interest, the successful prototyping achieved here, the ongoing need for in-situ characterization for the scale-up of perovskite manufacturing, and the benefits of in situ photophysical characterization for future funded process development research, we are continuing with the principle aims of the project to develop effect in situ photophysical probes for fast analysis of the optoelectronic and structural quality of sheet based and roll to roll process perovskites. TRPLS and ARLS probes proposed in the project are to be completed with external support from the Washington Research Foundation at the WCET. We are currently actively engaged in the acquisition of components and plan to complete and test the probes within three months. It is our intention that these probes will then be used in ongoing perovskite development with our research and commercialization partners including First Solar and other member of the US MAP consortium in future funded development work.

14 SOLAR ENERGY↗

Automated Vulnerability Detection (AVUD) for Compiled Smart Grid Software

This project developed and implemented a system for conducting cybersecurity vulnerability detection of smart grid components and systems by performing static analysis of compiled software (“firmware”). The resulting system for automated vulnerability detection (AVUD) was implemented as part of Oak Ridge National Laboratory’s existing test bed for smart meters, the Sustainable Campus Initiative. The work consisted of two phases: the first phase implemented the necessary software and computational models to perform the analysis, and the second phase demonstrated the system on example firmware in partnership with smart meter manufacturer Sensus USA, Inc. The resulting system won an R&D 100 award and has been successfully commercialized, winning a National Laboratory Consortium Commercialization Award.

97 MATHEMATICS AND COMPUTING↗

Roadmap to Advance Heliostat Technologies for Concentrating Solar-Thermal Power

Heliostat-based concentrating solar-thermal power (CSP) systems can offer immense potential to provide low-cost, dispatchable renewable thermal and electrical energy to help achieve 100% decarbonized energy infrastructure in the United States. Heliostats are a major capital cost technology and a performance-dominating component of state-of-the-art commercial molten salt towers and Generation 3 CSP systems. In 2021, the U.S. Department of Energy (DOE) Solar Energy Technologies Office (SETO) launched the Heliostat Consortium (HelioCon), a five-year initiative to advance heliostat technologies. The HelioCon mission is threefold: (1) establish strategic core testing and modeling capabilities and infrastructure at national labs; (2) support heliostat technology development in relevant industries; and (3) serve as a central repository to integrate industry, academia, and other stakeholders for heliostat technology research, development, validation, and deployment. In this report, HelioCon presents a roadmapping study on advancing heliostat technologies, intended as a central reference for the whole CSP community.

14 SOLAR ENERGY↗

What's in a Test Site? Past & Future Lunar Analog Testing at the NNSS

Presentation for the Fall Meeting of Johns Hopkins' Lunar Surface Innovation Consortium (LSIC). Additional details at this link: https://lsic.jhuapl.edu/Events/Agenda/index.php?id=350 Nicholas Downs will be the presenter of these slides. Conference Location: University of Texas El Paso Conference Dates: 11/1/22-11/3/22

58 GEOSCIENCES↗

Summary: SEE4GEO

The seismoelectric effects technique (SEE) is a new and innovative approach for geothermal subsurface imaging and monitoring at reservoir scale. The objective of this project is to assess SEE in terms of data acquisition, cost and quality, and to determine its capability in comparison with classical imaging and monitoring techniques, particularly decoupled seismic and electromagnetic methods. This will be achieved by (1) development of a fast, true 3D numerical package, handling SEE imaging and subsurface properties characterization, including resistivity and permeability, (2) laboratory experiments performed in a controlled environment to define optimal deployment design, data quality, and inform field deployment, and (3) field surveys to ultimately test and draw lessons for practical use of SEE technology. There is a relatively extensive body of work in the literature on SEE, and members of this consortium have been involved in theoretical and numerical development of SEE modeling as well as laboratory experiments. Nevertheless, to our knowledge few, if any, documented efforts have been specifically targeting the use of SEE for geothermal subsurface imaging and monitoring. The strength and originality of our proposal rely on an integrated approach leveraging numerical, laboratory and field experiments, to properly document the practical use of SEE. Through this process, SEE in-hand technology for the geothermal industry will be able to progress from a TRL 1 to TRL 3.

58 GEOSCIENCES↗

Seismoelectric Effects for Geothermal Resources Assessment and Monitoring (SEE4GEO)

The seismoelectric effects technique (SEE) is a new and innovative approach for geothermal subsurface imaging and monitoring at reservoir scale. The objective of this project is to assess SEE in terms of data acquisition, cost and quality, and to determine its capability in comparison with classical imaging and monitoring techniques, particularly decoupled seismic and electromagnetic methods. This will be achieved by (1) development of a fast, true 3D numerical package, handling SEE imaging and subsurface properties characterization, including resistivity and permeability, (2) laboratory experiments performed in a controlled environment to define optimal deployment design, data quality, and inform field deployment, and (3) field surveys to ultimately test and draw lessons for practical use of SEE technology. There is a relatively extensive body of work in the literature on SEE, and members of this consortium have been involved in theoretical and numerical development of SEE modeling as well as laboratory experiments. Nevertheless, to our knowledge few, if any, documented efforts have been specifically targeting the use of SEE for geothermal subsurface imaging and monitoring. The strength and originality of our proposal rely on an integrated approach leveraging numerical, laboratory and field experiments, to properly document the practical use of SEE. Through this process, SEE in-hand technology for the geothermal industry will be able to progress from a TRL 1 to TRL 3.

58 GEOSCIENCES↗

The Net Zero World Initiative’s Preliminary Analysis of Decarbonization Pathways for Five Countries. Executive Summary

Under the Net Zero World Initiative, the United States is marshalling the forces of nine U.S. government agencies, led by the U.S. Department of Energy, to partner with philanthropies and multiple countries to cocreate and implement tailored technical and investment pathways to accelerate the decarbonization of global energy systems. In addition, 10 of the DOE national laboratories have built a consortium housed in the Net Zero World Action Center to implement this vision by providing the deep analysis and modeling required to carry out the vision.

54 ENVIRONMENTAL SCIENCES↗

Electricity Costs and Carbon Implications for CO 2 -to-Fuels in Selected Locations in 2030

With the growing interest in converting carbon dioxide (CO 2 ) to fuels and products to reduce overall greenhouse gas emissions and extend carbon from biogenic and other sources, the development of carbon capture and utilization (CO2U) technologies and industry is crucial. The Markets, Resources, and Environmental and Energy Justice of CO 2 -to-Fuels Technologies (short title: MarkeRs & EEJ) project supports this goal by assessing the resource and market potential and infrastructure requirements for mid-term (-2030) and long-term (-2050) deployment of CO2U technologies. The overall project analyzes CO2U economic and resource requirements as well as sustainability and environmental and energy justice (EEJ) metrics. This report focuses on short-term (-2030) aspects of the project. It identifies three CO2U locations in the Midwestern United States and quantifies the costs for potential electricity resources and marginal emissions for each site in the near term (e.g., 2030). We focus on four electricity purchase options, including retail rate, physical power purchase agreement (PPA), financial PPA, and real-time pricing (RTP), for each of the three sites and consider potential policies such as production tax credits (PTCs). We also assess time-dependent hourly marginal electricity costs and the marginal emission rates using modeled scenarios from Cambium (Gagnon et al. 2021).The results of the analysis are expected to inform other projects within the U.S. Department of Energy's CO 2 -to-Fuels Consortium, especially the Economics and Sustainability of CO 2 Utilization Technologies with Techno-Economic Analysis and Life Cycle Analysis (TEA/LCA) project, led by Michael Wang of Argonne National Laboratory and Ling Tao of the National Renewable Energy Laboratory. The project results are also expected to inform the investment and technology communities and policymakers at the U.S. Department of Energy, state, and regional levels and guide investment by government and industry in research and development portfolios.

09 BIOMASS FUELS↗

Designing Resilient Communities: Hardware demonstration of resilience nodes concept

As part of the project “Designing Resilient Communities (DRC): A Consequence-Based Approach for Grid Investment,” funded by the United States (US) Department of Energy’s (DOE) Grid Modernization Laboratory Consortium (GMLC), Sandia National Laboratories (Sandia) is partnering with a variety of government, industry, and university participants to develop and test a framework for community resilience planning focused on modernization of the electric grid. This report provides a summary of the section of the project focused on hardware demonstration of “resilience nodes” concept.

24 POWER TRANSMISSION AND DISTRIBUTION↗

State of Common Grid Services Definitions

This document is prepared as part of the Department of Energy’s Grid Modernization Laboratory Consortium (GMLC) 2.5.2 project, whose goal is to develop and socialize a common set of grid service definitions relevant to grid-related interactions with distributed energy resources (DER: responsive generation, storage, and loads), and to advance the concept and requirements of the Energy Services Interface (ESI) to the point of launching related interface standards and guides that can be implemented in communication protocols and business process definitions. The notion of “grid services” is integral to the definition of an ESI because a key principle of the ESI is that it permits coordination between grid operators and DER facilities in a way that is service-oriented, with an understanding of performance expectations. This document reviews the current state of grid service definitions, including those actively used in the market today as well as new services that have been proposed for future implementation. The document describes grid services used in transmission as well as distribution systems. In defining grid services, this document also distinguishes between two fundamental concepts: an “operational objective” and a “grid service,” which describes a generator’s or customer’s expected physical performance in delivering power to or consuming power from the grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Introducing the 9500 Node Distribution Test System to Support Advanced Power Applications: An Operations-Focused Approach

The 9500 Node Test System is a representative section of distribution power system model developed as a part of the GridAPPS-D™ project, an effort funded by DOE as a part of the Grid Modernization Lab Consortium (GMLC) program. The test system was developed to fulfill a growing need to represent the rapidly evolving state of electric distribution systems by combining elements of legacy infrastructure systems, modern feeder topologies, and an anticipated future with smart grid technologies. It also provides a network model capable of supporting the simulation of operational scenarios such as the ones in a utility distribution control center. This test system allows the evaluation of the performance of advanced power applications in real-time, such as one that simulates the operations of an Advanced Distribution Management Systems (ADMS), Distributed Energy Resource Management Systems (DERMS), etc. in a Distribution control center. This model is an extension of the widely used IEEE 8500 Node Test Feeder and is currently being validated to become an IEEE test case to help increase adoption and widespread usage among both academia and industry. It is a full-size model representative of a section of a utility’s distribution system with multiple feeders fed from different substations. The model includes multiple distribution circuits, a sub-transmission system, multiple substations, behind the meter customer rooftop photovoltaics (PV), and multiple utility-scale distributed energy resources. To enable accurate simulations of operational scenarios, the 9500 Node Test System is designed to support procedure-based operations, with the ability to realistically demonstrate switching operations, feeder reconfiguration, adjustment of volt-var control equipment, dispatch of distributed generation, and response to planned and unplanned outages. The 9500 Node Test System includes three radial distribution feeders with 12.3 MVA of average load, consisting of both medium voltage and low voltage equipment each supplied by a different distribution substation. The three distribution feeders are connected to each other through Normally-Open switches which can be closed when needed to simulate restoration scenarios due to a fault. One feeder represents today’s grid with low penetration of customer-side renewables. The second represents a potential future grid with microgrids and 100% renewable penetration. The third has no customer generation resources, a district steam plant, and a utility-scale solar farm. The three diverse circuits were created to allow the simulation of both today’s situation as well as potential future scenarios. All three feeders have customers connected by low-voltage secondary triplex lines. This test system meets all requirements outlined in the report for creating a simulation environment that would enable discussion between key technical stakeholders as well as having the potential to accelerate operational application development and their subsequent testing and integration. The new model is a possible representation of what we believe the distribution grid may look like in the future: a high penetration of renewables, reconfigurable radial and mesh topology, numerous DERs, islanded microgrids, and significantly increased data and measurement density. The system supports both the solution of existing and newer algorithms but also enables the evaluation of applications in a realistic operational environment defined by task oriented procedural steps that represent the interaction between the control center operator and field personnel.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Improved Value of the Gasoline and Fuel Oil Co-Product Fractions Generated by the PNNL/LanzaTech Alcohol-to-Jet Process (Final Report)

The BETO-funded PNNL collaboration with LanzaTech, Inc. utilizes patented technology to address the need for low aromatic jet fuel blendstocks. The PNNL/LanzaTech alcohol-to-jet (ATJ) process converts ethanol from LanzaTech’s syngas fermentation process to jet-range isoparaffins. The aim of this Cooperative Research Development Agreement (CRADA) project was to improve the commercial viability of the LanzaTech/ PNNL ATJ process by developing two new co-product options. Two Focus Areas (FA) were explored: FA1) Increasing the RON of the lighter-than-jet gasoline fraction above 98; and FA2) Creating a synthetic lubricant base oil from the heavier-than-jet fraction. For FA 1, multiple processing approaches were evaluated, and RONs ranging from 96-100 were obtained, each comprising different processing costs. The most cost effective approach identified was a single-step process and yielded a liquid product of 97. Thus, additional development is required to obtain a RON > 98. We will continue work on this focus area with separate Direct Funding Opportunity (DFO) funding within the DOE-BETO Co-Optima Consortium (expected to begin Q2-FY21). Experimental work will focus on i) increasing single pass conversion to > 50%, and ii) obtaining a > 98 RON product. Technoeconomic analysis performed in this project suggests cost competitiveness provided these technical targets can be met. For FA2, multiple approaches were evaluated for increasing the viscosity index (VI) of the heavier-than-jet fraction to at least 120 in order to meet ASTM specifications for a Group III Base Oil (ASTM D6074). All other ASTM specifications are already met. A viscosity index of 115 was obtained, and with minimal undesirable cracking products. We believe a VI of 115 is about the highest possible from a catalytic approach, per review of the patent literature. In order to further increase the VI to > 120 we believe additives and/or liquid-liquid extraction is required. TEA performed earlier in the project suggests cost competitiveness with market prices assuming cracking byproducts are kept < 10 wt.%. If TEA updated with this additional processing still projects economic feasibility next steps could be taken in a subsequent effort.

02 PETROLEUM↗

Enabling Efficient Water Splitting with Advanced Materials Designed for High pH Membrane Interface

This project was focused on developing the durable, high-performance materials and interfaces for advanced water splitting, enabling a clear pathway for achieving <$2/Kg H2 (on scale) with efficiency of 43 kWh/kg H 2 via anion exchange membrane (AEM)-based electrolysis. We aimed to advance these final goals via an improved fundamental understanding of both hydrogen and oxygen evolution reactions (HER/OER) leading to novel platinum group metal (PGM)-free catalyst materials in conjunction with critical improvements in membrane and ionomers and gas evolution electrodes with corresponding characterization and testing. Northeastern University (NU) lead this effort focusing on catalyst development and characterization (both in situ and ex situ) while project partners lead improvements in ionomer and membrane materials and will aid in the development of specialized electrode and membrane electrode assemblies. In addition, close collaboration occured with the HydroGEN Energy Materials Network (EMN) National Laboratory consortium including efforts related to use of advanced ionomers, durability protocols and validation of electrolyzer materials (e.g. NREL), multiscale modeling and computation (e.g. LBNL), and molecular dynamics (MD) simulations of the membrane catalyst interface (e.g. SNL). The interactions with HydroGEN included exchange of data and materials as needed to facilitate project success.

08 HYDROGEN↗

DFO Computational Modeling Project - Catalytic Upgrading of Bio-based Furfural to 1,5-Pentanediol: A New Renewable Monomer for the Coatings Industry (Final Report)

This report summarizes the results of a collaborative effort between Oak Ridge National Laboratory (ORNL) and Pyran™ Inc. to utilize modeling capabilities developed by the CCPC (Consortium for Computational Physics and Chemistry) to assist Pyran in scaling up its proprietary process for thermocatalytic conversion of furfural to 1,5 pentanediol (PDO). Pyran’s bio-based PDO is a direct replacement for petroleum-based PDO and 1,6 hexanediol (HDO) currently used in polymers, additives, coatings, adhesives and sealants. The current market is in excess of $\$$1B/yr. According to Pyran, their production process results in 95+% reduction in fossil CO 2 at lower production costs compared to the existing petroleum-based routes for PDO & HDO. Other chemicals based on intermediates from this process have current markets in excess of $\$$10B/yr.

36 MATERIALS SCIENCE↗

US Department of Energy, Office of Science High Performance Computing Facility Operational Assessment 2021: Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory’s (ORNL’s) Leadership Computing Facility (OLCF) continues to surpass its operational target goals of supporting users; delivering fast, reliable computational ecosystems; creating innovative solutions for high-performance computing (HPC) needs; contributing to the community to build the next generation HPC workforce, and managing risks, safety, and security associated with operating some of the most powerful computers in the world. The results can be seen in the cutting-edge science conducted by users and the praise from the research community. Calendar year (CY) 2021 saw continued excellence in research supported by the OLCF’s leadership-class computing resources, including Summit (the nation’s most powerful supercomputer), the global scratch file system Alpine, the Scalable Protected Infrastructure (SPI), the Exploratory Visualization Environment for Research in Science and Technology (EVEREST), and the archival mass-storage resource High-Performance Storage System (HPSS). While maintaining access and exceptional user support for Summit, the OLCF continued to make progress on the installation and deployment of Frontier, which will be the nation’s first exascale system when it comes online at the start of CY 2023. Users have already begun running and optimizing scientific codes on Crusher, the OLCF test and development system equipped with Frontier’s architecture. Throughout the year, the OLCF maintained a strong culture of operational excellence, including risk management, workplace safety, and cybersecurity. The OLCF’s rigorous risk management strategy anticipated and mitigated risks, and at this time there are no high-priority operational risks. Similarly, ORNL and the OLCF were committed to operating under the US Department of Energy’s (DOE’s) safety regulations that ensure a safe workplace. Technical staff tracked and monitored existing threats and vulnerabilities within the OLCF while continually developing tools and practices to enhance operations without increasing the facility’s risk. CY 2021 was filled with outstanding results and accomplishments, including a very high rating from users on overall satisfaction for the eighth consecutive year; a tremendous number of node hours delivered to 1,671 researchers on Summit; and the successful delivery of the allocation split of roughly 60%, 20%, and 20% of core-hours offered for the Innovative and Novel Computational Impact on Theory and Experiment (INCITE), Advanced Scientific Computing Research Leadership Computing Challenge (ALCC), and Director’s Discretionary (DD) programs, respectively (Section 2). COVID-19 research remained a focus in 2021, and the ALCC and DD programs allocated over 1 million Summit hours to the COVID-19 High Performance Computing Consortium. These accomplishments, coupled with the high utilization rates (i.e., overall and capability usage), represent the fulfillment of the promise of leadership class machines: efficient facilitation of leadership-class computational applications.

97 MATHEMATICS AND COMPUTING↗