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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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All sources NASA NTRS DOE OSTI

DOE OSTI2023

First Results from Nanoindentation of Vapor Diffused Nb3Sn Films on Nb

The mechanical vulnerability of the Nb3Sn-coated cavities is identified as one of the significant technical hurdles toward deploying them in practical accelerator applications in the not-so-distant future. It is crucial to characterize the material's mechanical properties in ways to address such vulnerability. Nanoindentation is a widely used technique for measuring the mechanical properties of thin films that involves indenting the film with a small diamond tip and measuring the force-displacement response to calculate the film's elastic modulus, hardness, and other mechanical properties. For the first time, the nanoindentation analysis was performed on multiple vapor-diffused Nb3Sn samples coated at Jefferson Lab and Fermilab coating facilities. This contribution will discuss the first results obtained from the nanoindentation of Nb3Sn-coated Nb samples prepared via the Sn vapor diffusion technique.

Pudasaini, Uttar↗

DOE OSTI2023

First Results from Nanoindentation of Vapor Diffused Nb3Sn Films on Nb

The mechanical vulnerability of the Nb3Sn-coated cavities is identified as one of the significant technical hurdles toward deploying them in practical accelerator applications in the not-so-distant future. It is crucial to characterize the material's mechanical properties in ways to address such vulnerability. Nanoindentation is a widely used technique for measuring the mechanical properties of thin films that involves indenting the film with a small diamond tip and measuring the force-displacement response to calculate the film's elastic modulus, hardness, and other mechanical properties. For the first time, the nanoindentation analysis was performed on multiple vapor-diffused Nb3Sn samples coated at Jefferson Lab and Fermilab Nb3Sn coating facilities. This contribution will discuss the first results obtained from the nanoindentation of Nb3Sn-coated Nb samples prepared via the Sn vapor diffusion technique.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

First Results from Nanoindentation of Vapor Diffused Nb3Sn Films on Nb

The mechanical vulnerability of the Nb3Sn-coated cavities is identified as one of the significant technical hurdles toward deploying them in practical accelerator applications in the not-so-distant future. It is crucial to characterize the material's mechanical properties in ways to address such vulnerability. Nanoindentation is a widely used technique for measuring the mechanical properties of thin films that involves indenting the film with a small diamond tip and measuring the force-displacement response to calculate the film's elastic modulus, hardness, and other mechanical properties. For the first time, the nanoindentation analysis was performed on multiple vapor-diffused Nb3Sn samples coated at Jefferson Lab and Fermilab Nb3Sn coating facilities. This contribution will discuss the first results obtained from the nanoindentation of Nb3Sn-coated Nb samples prepared via the Sn vapor diffusion technique.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

First Results From Nanoindentation of Vapor Diffused Nb3Sn Films on Nb

The mechanical vulnerability of the Nb3Sn-coated cavities is identified as one of the significant technical hurdles toward deploying them in practical accelerator applications in the not-so-distant future. It is crucial to characterize the material's mechanical properties in ways to address such vulnerability. Nanoindentation is a widely used technique for measuring the mechanical properties of thin films that involves indenting the film with a small diamond tip and measuring the force-displacement response to calculate the film's elastic modulus, hardness, and other mechanical properties. The nanoindentation analysis was performed on multiple vapor-diffused Nb3Sn samples coated at Jefferson Lab and Fermilab coating facilities for the first time. This contribution will discuss the first results obtained from the nanoindentation of Nb3Sn-coated Nb samples prepared via the Sn vapor diffusion technique.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Methane Pyrolysis for CO2-free H2 and Carbon Nanomaterials (Abstract)

We propose to continue to develop a new process for producing CO2-free hydrogen (H2) from inexpensive and domestically-abundant natural gas (NG), while simultaneously reducing H2’s net production cost to $1.0/kg through the sale of valuable crystalline solid carbon co-product. Producing clean hydrogen at this price is a DOE Hydrogen Energy Earthshot goal. Cost effective production of clean H2 is also of commercial relevance to project partners Southern California Gas Company (SoCalGas) and startup company C4-MCP, who aim to further develop, demonstrate at scale, and ultimately deploy the new process technology developed on this project in order to meet regulatory demands in the State of California. In the current project we have focused on i) understanding the catalyst science for thermocatalytic decomposition of methane (TCD), which resulted in the development of a patent pending bimetallic catalyst offering favorable activity, stability, and selectivity under industrially relevant process conditions, ii) developing a novel, patent pending process to enable the separation of produced carbon and catalyst, and re-synthesis of the catalyst using recycled materials, iii) performing limited characterization of the produced carbon materials, and iv) performing detailed process modeling in order to perform techno economic assessment. The additional scope proposed here will accelerate the commercial deployment of TCD for CO2-free H2 and valuable solid carbon nanotubes (CNT) co-product, by i) scaling up the production of CNT co-product using a scalable, fluidized bed reactor (25 g catalyst scale versus the 1 g catalyst scale demonstrated to-date), ii) producing at least 40 g of CNT product, produced via multiple cycles of TCD, carbon-catalyst separation, and catalyst re-synthesis, to enable the production of sufficient quantities of solid carbon so as to explore its market potential, iii) understanding the quality of the co-product CNTs, produced at larger scale, through advanced characterization, and iv) beginning to explore multiple promising high volume carbon product applications (thermoplastics, automotive composites, battery, and cement reinforcement applications).

08 HYDROGEN↗

DOE OSTI2019

Challenges and opportunities for adsorption-based CO 2 capture from natural gas combined cycle emissions

In recent years, the power sector has shown a growing reliance on natural gas, a cleaner-burning fuel than coal that emits approximately half as much CO 2 per kW h of energy produced. This rapid growth in the consumption of natural gas has led to increased CO 2 emissions from gas-fired power plants. To limit the contribution of fossil fuel combustion to atmospheric CO 2 levels, carbon capture and sequestration has been proposed as a potential emission mitigation strategy. However, despite extensive exploration of solid adsorbents for CO 2 capture, few studies have examined the performance of adsorbents in post-combustion capture processes specific to natural gas flue emissions. In this perspective, we emphasize the importance of considering gas-fired power plants alongside coal-fired plants in future analyses of carbon capture materials. We address specific challenges and opportunities related to adsorptive carbon capture from the emissions of gas-fired plants and discuss several promising candidate materials. Lastly, we suggest experiments to determine the viability of new CO 2 capture materials for this separation. This broadening in the scope of current carbon capture research is urgently needed to accelerate the deployment of transformational carbon capture technologies.

03 NATURAL GAS↗

DOE OSTI2023

Validation of Robustness in TCR Design Strategies

Advanced Manufacturing (AM) has been identified as one of key pathways in accelerating deployment of next generation of nuclear power plants. The nuclear industry continues to predominately rely on fabrication techniques and materials that their codes and standards were approved decades ago. This legacy approach in the highly regulated nuclear sector has brought uncertainty to commercial viability of nuclear energy in the U.S. The Transformational Challenge Reactor (TCR), sought to utilize AM methods for fabrication of a High Temperature Gas Reactor (HTGR). The program sought to leverage AM to construct a non-conventional geometry made up of TRISO fuel and hydride moderator in SiC matrix. This project objective was to provide independent analysis of the core configuration with separate set of tools and approaches than utilized by the TCR team in a 2-year time frame. This NEUP project also tackled a question: Can AM be a cost-effective tool in changing the commercial paradigm of nuclear. We investigated this question in-context of a micro HTGR. While respecting the inherit uncertainty in our input parameters, overall we saw that AM has potential in improving economic competitiveness of nuclear energy when employed on multiple fronts (i.e. few percentage cost improvement per component). Given realizing AM requires mass orders and large R&D investment for commercial utilization, Department of Energy should focus its support on few key enabling technologies and support their codes and standards development and qualification cost (including irradiation as applicable) rather than taking a diluted approach.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

Thermal treatment of plutonium contaminated materials (PCM) Waste - 15714

Considering the high over all costs of waste disposal and the growing requirements for improved quality of the final waste form, the benefits offered by thermal processing become very significant. Key drivers for the application of thermal treatment processes include the reduced volume, improved passive safety, and superior long term stability, of the vitrified waste form products. The project has demonstrated these benefits are derived from the oxidation of the metallic waste fraction, destruction of organic components, and evaporation of entrained water, combined with simultaneous immobilization of radioactive and chemo-toxic elements with in a glass or slag (i.e. a partially crystallised glass) material. Currently a fundamental lack of scientific knowledge and understanding significantly hinders the uptake of thermal treatment processes for the immobilization and disposal of plutonium contaminated material waste. The project will contribute to accelerating the acquisition of knowledge and experience required to support the NDA in deploying thermal technologies as a national asset for ILW treatment. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Report on the Integration of Experimental and Modeling Data for Initial Equivalence Study of Microstructural Evolution in Irradiated LPBF 316SS

Advanced materials and manufacturing technologies are poised to improve the safety and design characteristics of nuclear technologies and meet US energy, environmental, and economic needs. In particular, metal additive manufacturing (AM) provides an opportunity to produce novel materials and component geometries, but their use is not without hurdles arising from the inherent microstructure variability that can result from the layer-by-layer build approach. Given the greater possible microstructure variability in AM materials—and the dearth of materials test reactors—it is impractical to rely solely on neutron irradiation studies to produce data for materials qualification for every possibility. This work within the Advanced Materials and Manufacturing Technologies (AMMT) Environmental Effects technical area contributes to the rapid qualification framework by developing a science-driven framework for the accelerated qualification of materials for nuclear environments. A key product of the Environmental Effects technical area of the AMMT program is the Licensing Approach with Ions and Neutrons (LAIN). This approach recognizes that whether using existing materials in new environments, newly developed materials tailored for these environments, or new manufacturing methods, the traditional decades-long approach for materials qualification does not facilitate rapid deployment. In FY 2023, the AMMT program presented a conceptual framework of specific steps to fulfill several technical challenges associated with qualifying materials for performance in radiation environments on an accelerated time frame informed by the state of the art in materials science and a review of the current regulatory landscape. The objective of this section of the Environmental Effects technical area is to critically evaluate and refine the proposed qualification framework presented under AMMT by integrating the research results of the neutron irradiations, the ion irradiations, and modeling efforts. These ongoing efforts span across Argonne National Laboratory (ANL), Idaho National Laboratory (INL), and Oak Ridge National Laboratory (ORNL) and are closely coordinated.

36 MATERIALS SCIENCE↗

DOE OSTI2023

How to GIWAXS: Grazing Incidence Wide Angle X‐Ray Scattering Applied to Metal Halide Perovskite Thin Films

Abstract The frequency of reports utilizing synchrotron‐based grazing incident wide angle X‐ray scattering (GIWAXS) to study metal halide perovskite thin films has exploded recently, as this technique has proven invaluable for understanding several structure‐property relationships that fundamentally limit optoelectronic performance. The GIWAXS geometry and temporal resolution are also inherently compatible with in situ and operando setups (including ISOS protocols), and a relatively large halide perovskite research community has deployed GIWAXS to unravel important kinetic and dynamic features in these materials. Considering its rising popularity, the aim here is to accelerate the required learning curve for new experimentalists by clearly detailing the underlying analytical concepts which can be leveraged to maximize GIWAXS studies of polycrystalline thin films and devices. Motivated by the vast range of measurement conditions offered, together with the wide variety of compositions and structural motifs available (i.e., from single‐crystal and polycrystalline systems, to quantum dots and layered superlatices), a comprehensive framework for conducting effective GIWAXS experiments is outlined for different purposes. It is anticipated that providing a clear perspective for this topic will help elevate the quality of future GIWAXS studies—which have become routine—and provide the impetus required to develop novel GIWAXS approaches to resolve unsettled scientific questions.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Enhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices

Recent developments in machine learning interatomic potentials (MLIPs) have empowered even nonexperts in machine learning to train MLIPs for accelerating materials simulations. However, reproducibility and independent evaluation of presented MLIP results is hindered by a lack of clear standards in current literature. In this Perspective, we aim to provide guidance on best practices for documenting MLIP use while walking the reader through the development and deployment of MLIPs including hardware and software requirements, generating training data, training models, validating predictions, and MLIP inference. We also suggest useful plotting practices and analyses to validate and boost confidence in the deployed models. Finally, we provide a step-by-step checklist for practitioners to use directly before publication to standardize the information to be reported. Altogether, we hope that our work will encourage the reliable and reproducible use of these MLIPs, which will accelerate their ability to make a positive impact in various disciplines including materials science, chemistry, and biology, among others.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

An approach to combine neutron and ion irradiation data to accelerate material qualification for nuclear reactors

Next-generation nuclear power plants are generally characterized by higher operating temperatures, increased neutron fluences and energies, and distinct corrosive coolant environments versus the existing light water reactor fleet. Whether using existing materials in new environments, newly developed materials tailored for these environments, or new manufacturing methods, the traditional decades-long approach for materials qualification does not facilitate rapid deployment. Ion irradiation has demonstrated success in reproducing material microstructure and select property evolution resulting from neutron irradiation with three to four orders of magnitude reduction in time and cost, making it an ideal candidate for accelerated irradiation testing. Because microstructure has a large impact on bulk material properties, limited neutron irradiation data at lower damage levels can in principle be combined with accelerated ion testing results and modeling and simulation to form an accurate prediction of microstructure evolution and select properties under different neutron irradiation conditions and at higher damage levels. The objective of this work is to present a conceptual framework of specific steps to fulfill several technical challenges associated with qualifying materials for performance in radiation environments on an accelerated time frame. A brief review of the regulatory landscape for materials in nuclear environments is presented, followed by additional overviews to understand the current state of the art for correlation of materials properties across radiation environments using experimental and computational methodologies. Finally, the roles of academia, national laboratories, and industry in the advancement of this accelerated materials qualification framework are discussed as a path forward, with possible case studies presented.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

SMART – A Comprehensive Research and Development Program to Demonstrate Application of Machine Learning for Supporting CCS Deployment

Presentation material for a paper presented at the GHGT-17 conference, Calgary, Canada, October 20-24, 2024. The objective of the US Department of Energy’s SMART Initiative, i.e., Science-informed Machine Learning (ML) for Accelerating Real-Time Decisions in Subsurface Applications, is to showcase how the utilization of ML can significantly improve efficiency and effectiveness of field-scale commercial carbon storage operations. This paper will present the results from the current phase of SMART (field deployment) for demonstrating the applicability of ML-based tools and workflows for: (a) virtual learning during the pre-injection permitting phase, (b) advanced storage reservoir imaging to better characterize fractures and faults, and (c) dynamic storage reservoir modelling and optimization to inform operational decision making and visualization of system evolution.

CO2 geologic storage↗

DOE OSTI2023

Multiscale simulations of novel lithium electrolytes for improved processability and performance of solid-state batteries

In FY23, we performed atomic-scale simulations and developed analysis tools to understand the dynamic behaviors of Li ions and cation/anion components and predict mechanical properties in a new class of Li-ion solid electrolytes (SEs) developed by TRINA. Specifically, we revealed the transport characteristics of Li ions in anion sublattice, rotational dynamics of anion and cation components, and the effect of cation and anion on Li transport as well as interactions between cation and anions. The results imply that the transport characteristics in these soft materials may be affected by processing conditions significantly, which will offer the necessary insights to optimize these future SEs and accelerate the deployment of practical and easily processable Solid-state batteries (SSBs).

25 ENERGY STORAGE↗

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 OSTI2022

Applications and Techniques for Fast Machine Learning in Science

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science—the concept of integrating powerful ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2013

Safety of Hydrogen Systems Installed in Outdoor Enclosures

The Hydrogen Safety Panel brings a broad cross-section of expertise from the industrial, government, and academic sectors to help advise the U.S. Department of Energy’s (DOE) Fuel Cell Technologies Office through its work in hydrogen safety, codes, and standards. The Panel’s initiatives in reviewing safety plans, conducting safety evaluations, identifying safety-related technical data gaps, and supporting safety knowledge tools and databases cover the gamut from research and development to demonstration and deployment. The Panel’s recent work has focused on the safe deployment of hydrogen and fuel cell systems in support of DOE efforts to accelerate fuel cell commercialization in early market applications: vehicle refueling, material handling equipment, backup power for warehouses and telecommunication sites, and portable power devices. This paper resulted from observations and considerations stemming from the Panel’s work on early market applications. This paper focuses on hydrogen system components that are installed in outdoor enclosures. These enclosures might alternatively be called “cabinets,” but for simplicity, they are all referred to as “enclosures” in this paper. These enclosures can provide a space where a flammable mixture of hydrogen and air might accumulate, creating the potential for a fire or explosion should an ignition occur. If the enclosure is large enough for a person to enter, and ventilation is inadequate, the hydrogen concentration could be high enough to asphyxiate a person who entered the space. Manufacturers, users, and government authorities rely on requirements described in codes to guide safe design and installation of such systems. Except for small enclosures used for hydrogen gas cylinders (gas cabinets), fuel cell power systems, and the enclosures that most people would describe as buildings, there are no hydrogen safety requirements for these enclosures, leaving gaps that must be addressed. This paper proposes that a technical basis be developed to enable code bodies to write requirements for the range of enclosures from the smallest to the largest.

08 HYDROGEN↗

DOE OSTI2022

Motivation, benefits, and challenges for new photovoltaic material & module developments

Abstract In the last decade and longer, photovoltaic module manufacturers have experienced a rapidly growing market along with a dramatic decrease in module prices. Such cost pressures have resulted in a drive to develop and implement new module designs, which either increase performance and/or lifetime of the modules or decrease the cost to produce them. In this paper, the main motivations and benefits but also challenges for material innovations will be discussed. Many of these innovations include the use of new and novel materials in place of more conventional materials or designs. As a result, modules are being produced and sold without a long-term understanding about the performance and reliability of these new materials. This has led to unexpected new failure mechanisms occurring few years after deployment, such as potential induced degradation or backsheet cracking. None of these failure modes have been detected after the back then common single stress tests. New accelerated test approaches are based on a combination or sequence of multiple stressors that better reflect outdoor conditions. That allows for identification of new degradation modes linked to new module materials or module designs.

Oreski, G. (ORCID:0000000342239047)↗