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DOE OSTI2018

Irradiation of Miniature Fuel Specimens in the High Flux Isotope Reactor

The Advanced Fuels Campaign (AFC) within the US Department of Energy (DOE) Office of Nuclear Energy is considering several advanced ceramic fuels for use in light water reactors (LWRs) and/or advanced reactor concepts. Advanced fuels, such as uranium carbide (UC), uranium nitride (UN), and uranium silicide (U 3 Si 2 ) offer increased uranium density and enhanced thermophysical properties compared to conventional UO 2 fuel, while maintaining an acceptably high melting point. Enhancements to traditional UO 2 are also being considered that would increase the thermal conductivity of the fuel and fission product retention through various additives. However, some of these advanced fuels have very limited information available on their irradiation performance (microstructural evolution, swelling, fission gas release, etc.), particularly for the range of temperature and burnup that are relevant for LWR fuel pins. To address this issue, Oak Ridge National Laboratory has developed an experimental facility to irradiate miniature fuel specimens in the High Flux Isotope Reactor (HFIR). The small size of the fuel specimens simplifies the design, analysis, and post-irradiation evaluations. Post-irradiation examination will provide basic data on the stability and behavior of advanced fuels as a function of temperature and burnup. This report briefly summarizes the experiment facility design concept and the assembly of the first set of experiments. The experiment contains six different types of UN-based fuel kernels UN TRISO particles with varying densities, impurity levels, and burnable absorber contents. The experiments were successfully assembled, welded, evaluated, and delivered to the HFIR along with a complete quality assurance fabrication package. Pictures of the assembly process are included in this report. The experiment is planned for insertion into the HFIR during cycle 480 (June 2018).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

Development of Novel Functionally Graded Transition Joints for Improving the Creep Strength of Dissimilar Metal Welds in Nuclear Applications

Steam generators of the small modular Very High Temperature Reactor (VHTR) will require use of Alloy 800 and 2.25Cr-1Mo steel in different regions depending on temperature and corrosion resistance requirements. As a result, Dissimilar Metal Welds (DMWs) between these two materials are critical for design, development, and manufacturing of the VHTR. DMWs are also used in many other applications in the power generation and petrochemical industries. Experience has demonstrated that failures of such DMWs can occur prematurely well below the expected creep life of either base metal, and these failures have significant consequences in terms of plant reliability, safety, and economic impact. These DMWs failures are caused by the abrupt change in composition that occurs at the weld interface between the two alloys. In this research, the concept of developing and optimizing Graded Transition Joints (GTJ) was developed through an integrated modeling and experimental approach. With GTJs, the composition is gradually graded between the two alloys, thus eliminating the sharp change in composition that causes failure. Microstructural modeling was first conducted to identify the optimum grade length required for improved resistance to carbon diffusion that is largely responsible for premature failure. Next, GTJs were fabricated and characterized in detail to understand how the microstructure evolves during fabrication and long term aging. Finally, the creep behavior of the GTJs was investigated and compared to that of conventional DMWs to demonstrate the superior creep strength of the GTJs. The results of this research provide significant insight into design, fabrication, microstructural evolution, and resultant performance of GTJs that can be used for reducing or eliminating DMW failures in a number of high temperature applications. The results also demonstrate that the GTJs can be readily fabricated with either conventional or additive manufacturing processes, and detailed guidelines are provided on the length of grades needed for optimal performance. The results of this research benefits the general public by improving the reliability of power generation and petrochemical plants that rely on DMWs for safe and reliable operation to deliver power and other products.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2018

Historical Review of Stress Corrosion Cracking in Concentrated Uranium-Molybdenum Alloys

This report presents a historical overview of stress corrosion cracking (SCC) in uranium-molybdenum alloys, focusing primarily on U-10 wt. pct. Mo (U-10Mo). This alloy has been chosen as the high density uranium monolithic fuel for converting research reactors from high enriched uranium (HEU) to low enriched uranium (LEU) fuel for its combination of fuel density and gamma phase stability. One disadvantage of U-10Mo is its propensity towards stress corrosion cracking (SCC), driven by high residual stresses resulting from its high yield strength. This report contains a metallurgical overview of U-10Mo alloys incorporating processing, microstructural evolution, and mechanical properties. This report also summarizes SCC literature including contributing factors, initiation and propagation, the mechanism responsible for U-10Mo SCC, and possible solutions to the problem. A brief synopsis of interviews with key personnel from several Department of Energy (DOE) facilities and BWX Technologies (BWXT) is also included. Recommendations for future studies are outlined.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Physics-based Creep Simulations of Thick Section Welds in High Temperature and Pressure Applications

During the second quarter of FY17, research efforts have been focused on modeling and simulation of the creep behavior of welds in Alloy 740H. Additionally, welded material has been sent to a commercial vendor to make creep specimen with cross-weld orientation as well as creep specimens consisting of all weld metal to evaluate the creep behavior of the different zones in and around the weld. Creep testing and aging of welds continued to evaluate microstructure evolution and the creep behavior as a function of aging time.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Phase Transformation Kinetics and Alloy Microsegregation in High Pressure Die Cast Magnesium Alloys (Final Report)

The primary objective of this project is to conduct a systematic, quantitative study of phase transformation kinetics and microsegregation in HPDC Mg alloys in both as-cast and heat treated conditions. These results will be used to develop and validate physics-based phase transformation kinetics micro-models that quantitatively capture microstructural evolution and microsegregation during HPDC and heat treatment of Mg alloys. Finally, this knowledge will be transferred to industry and the wider research community through these micro-models and the experimental data that will be stored in the National Institute of Standards and Technology (NIST)-DOE Energy Efficiency and Renewable Energy Advanced Automotive Cast Magnesium Alloys Repository, as well as a new repository, the University of Michigan Department of Energy Predictive Integrated Structural Materials Science (UM DOE PRISMS) Materials Commons. To accomplish these goals, a systematic and comprehensive experimental study is being combined with computational modeling and simulation.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Characterization of Creep-Fatigue Crack Growth in Alloy 709 and Prediction of Service Lives in Nuclear Reactor Components (Final Report)

This final report summarizes the activities and results that were obtained by the research team working on the project “Characterization of Creep-Fatigue Crack Growth in Alloy 709 and Prediction of Service Lives in Nuclear Reactor Components”, DOE-NEUP Project 15-8623. This project was mainly concerned with the creep-fatigue crack growth characterization of austenitic stainless-steel Fe-20Cr-25Ni (Alloy 709). For this purpose, an array of experimental and computational activities was performed. The main goal of these activities was to describe and predict the crack growth behavior in Alloy 709 under different conditions of applied loading and temperature. Alloy 709 specimens were tested to describe both the uniaxial creep behavior and creep-fatigue crack growth rates at temperatures between 550°C and 700°C. Microstructure and fracture surface analysis was performed using several experimental techniques, and the defining features of crack growth propagation were identified and described. Thermodynamic and diffusion simulations were performed to understand the microstructure evolution of Alloy 709 at elevated temperatures, and to establish an aging schedule relevant for in-service conditions over extended periods. Experimental testing was performed on both as-received and aged Alloy 709 specimens. Two computational methods were developed to predict crack growth rates and remaining lives in specimens loaded under either fatigue of creep-fatigue. The first computational technique was the finite element method, while the second was strip-yield modeling. Both methods relied on the prediction of crack growth rates using the concept of plasticity-induced crack closure. Crack-tip opening loads were computed and used to perform crack growth rate predictions. The computational predictions matched well with the experimental results. The strip-yield model was shown to be an excellent predictive tool not only for crack growth in austenitic SS Alloy 709, but also in 316 SS, martensitic Cr-Mo steels, Ni-based alloys and Al-based alloys. The main conclusion of this study is that Alloy 709 exhibits excellent creep crack growth resistance at temperatures between 550°C and 700°C. In fact, the crack growth resistance of this alloy appears to be higher than that of 316 SS in similar testing conditions. Moreover, when creep loading with hold (dwell) times of 60s or 600s were intercalated every fatigue cycle, the crack growth rates did not change significantly. The conclusion is that the tests performed revealed that the crack growth is insignificant during the creep portion of a loading cycle, as compared with the crack growth during the fatigue portion of the cycle. In general, Alloy 709 shows excellent resistance to creep deformations and creep crack growth up to 700°C.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Models Predicting Void Swelling Incubation Dose as a function of Irradiation Conditions

This report documents the development status of a cluster dynamics model to predict microstructural evolution in high-energy particle irradiated ferritic martensitic steels, in which we have recently implemented a model for the biased absorption of self-interstitial defects at small, nanometer-sized cavities that can provide an intrinsic nucleation barrier for the onset of void swelling. Following a brief review of the cluster dynamics modeling approach, this report describes the atomistic modeling results that demonstrate this phenomenon, along with an investigation on the influence of helium content on modifying the intrinsic cavity bias. Subsequently, the report describes the initial results obtained from our cluster dynamics modeling of the incorporation of this cavity bias on the predicted swelling incubation dose as a function of irradiation temperature. Finally, the report concludes with a discussion of the remaining modeling research required to fully validate the model for application to high dose neutron or ion beam irradiation exposure conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Tailoring Charge Transport and Magnetism in Complex Half-Heusler/Full-Heusler Nanocomposites (Final Report)

This project exploits (1) the facile co-crystallization of the half-Heusler (HH) and full-Heusler (FH) structures, (2) the high coherency and stability of the HH/FH interfaces, and (3) the solid-state inter-conversion between HH and FH structures through local atomic diffusion, to investigate, for selected compositions of the HH and FH phases, the effect of size, dimensionality, dispersion and volume fraction of FH nanostructures on the electronic, phonon and magnetic behavior of the resulting HH/FH nanocomposites. Our goal is to identify and control key material and growth parameters governing phase formation, microstructural evolution, and to understand the mechanism by which these changes of the internal structure modify the material’s performance. To elucidate the mechanism by which the FH nanostructures regulate electronic charge transport and induce ferromagnetism within non-magnetic and magnetic semiconducting HH matrices, suitable series of HH/0D-FH and HH/2D-FH nanocomposites will be fabricated using synthesis conditions suggested by theoretical calculations of the formation energy and stability of various FH phases (varying M) in HH matrices with known chemical composition. The structure of the HH/FH interfaces (size, chemical composition, volume fraction and dispersion) will be investigated along with the evaluation of the electronic (carrier density, mobility, thermopower, electrical conductivity, effective mass), thermal and magnetic (susceptibility, magnetization etc.) properties of the resulting HH/FH nanocomposites.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Development of a Multi-physics Capability for Predicting Residual Stress in a GTS Reservoir.

This report documents completion of a Level 2 Milestone on the development of a multi-physics capability to predict the evolving material state through the manufacturing process of a Gas Transfer Systems (GTS) reservoir. We present details on new developments and capability improvements that address the following completion criteria: (i) validation of a microstructure evolution model, including recrystallization and strain aging, (ii) demonstration of the capability to remesh, map and transfer material state (internal state variables) and residual stress from forging to machining to welding processes, and (iii) formal V&V characterization and quantification of uncertainties of material parameters and manufacturing process parameters on residual stress.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Real Time Degassing of Rock during Deformation

An experimental system we developed combines triaxial rock deformation and mass spectrometry to measure noble gas flow before, during, and after rock fracture. Geogenic noble gas is released during triaxial deformation (real time) and is related to volume strain and acoustic emissions. The noble gas release then represents a signal of deformation during its stages of development. Noble gases are contained in most crustal rock at inter and intra granular sites. Their release during natural and man-made stress and strain changes represents a signal of deformation in brittle and semi-brittle conditions. The noble gas composition depends on lithology, geologic history, age of the rock, and fluids present. Uranium, thorium and potassium-40 concentrations in the rocks also affect the production of radiogenic noble gases (4He, Ar). Noble gas emission and its relationship to crustal processes have been studied for many years in the geologic community including correlations to tectonic velocities and qualitative estimates of deep permeability from surface measurements, finger prints of nuclear weapon detonation, and as a potential precursory signal to earthquakes attributed to gas release due to pre-seismic stress, dilatancy and/or fracturing of the rock. Helium emission has been shown as a precursor of volcanic activity. We present empirical results/relationships of specimen strain, microstructural evolution, acoustic emissions, and noble gas release from laboratory triaxial experiments performed upon a granite and a young basalt, bedded salt, and a marine shale.

58 GEOSCIENCES↗

DOE OSTI2020

Benchmark problems for the Me soscale M ultiphysics Ph ase F i eld S imulator (MEMPHIS)

This report details the current benchmark results to verify, validate and demonstrate the capabilities of the in-house multi-physics phase-field modeling framework Me soscale M ultiphysics Ph ase F i eld S imulator (MEMPHIS) developed at the Center for Integrated Nanotechnologies (CINT). MEMPHIS is a general phase-field capability to model various nanoscience and materials science phenomena related to microstructure evolution. MEMPHIS has been benchmarked against a suite of reported 'classical' phase-field benchmark problems to verify and validate the correctness, accuracy and precision of the models and numerical methods currently implemented into the code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Highly-Active and Contaminant-Tolerant Cathodes for Durable Solid Oxide Fuel Cells (Final Report)

The objective of this project is to investigate the fundamental degradation methods occurring in solid oxide fuel cell (SOFC) cathodes when exposed to chromium and carbon dioxide contamination and to rationally design alkaline earth-based catalysts to increase stability and tolerance to contaminate poisoning. With a mechanistic and fundamental understanding of the degradation methods, advanced catalytic surface modifications can be applied to reduce degradation. The specific technical objectives are: (1) To identify/develop new catalysts (alkaline-earth based-) that are compatible chemically with the state-of-the-art cathode materials at high temperatures required for fabrication and with contaminates commonly encountered under operating conditions; (2) To improve the infiltration process for optimal control of the thickness, composition, and uniformity of the catalyst coatings; (3) To evaluate the electro-catalytic activity toward ORR of the chemically-stable materials when exposed to different types of contaminants using electrical conductivity relaxation measurements on bar samples and performance evaluation of catalyst-infiltrated cathodes; (4) To unravel the contamination-tolerant mechanisms of the new catalyst coatings under realistic environmental conditions (with different types of contaminants) using powerful in situ and in operando characterization techniques performed on model cells with thin-film/pattern electrodes, as guided by modeling and simulation; (5) To establish scientific basis for rational design of new catalysts of high tolerance to contaminants; (6) To validate the long term stability of modified LSCF cathodes in commercially available cells/stacks under ROC. Alkaline earth-based catalysts have been systematically explored and tested under various contamination conditions. BaCoO 3-δ (BCO) was shown to produce the best catalytic activity enhancement as well as stability in a variety of contaminating conditions, including CO 2 and chromium. The microstructural evolution was investigated with SEM, EDS, and Raman spectroscopy, showing the BCO catalyst prevents the formation of insulating SrCrO 4 by forming electrically conductive BaCrO 4 . Electrochemical relaxation measurements determined the BCO catalyst coatings increased the surface diffusion coefficient but did not significantly affect the diffusion coefficient and determined an optimum surface modification layer of 100 nm. A novel Ba 0.9 Co 0.7 Fe 0.2 Nb 0.1 O x (BCFN) catalyst was also shown to have excellent stability in chromium containing atmospheres. A novel surface sol-gel (SSG) surface modification, which offers superior thickness and compositional control, was applied to SOFCs to produce BaO catalyst coatings. SSG BaO coatings were shown to produce conformal coatings on the electrode surface, greatly increasing stability in chromium containing atmospheres. An atomic level mechanistic approach was applied to investigate the stability of PrBa 0.8 Ca 0.2 Co2O 5+δ (PBCC) with respect to a variety of common contaminants, demonstrating thermodynamically its superior stability in CO2 containing atmospheres. Finally, the best catalyst coatings demonstrated in this project, BCO and PBCC, were applied to full cells which demonstrated superior stability for over 300 hours in CO 2 and Cr atmospheres.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Highly-Active and Contaminant-Tolerant Cathodes for Durable Solid Oxide Fuel Cells

The objective of this project is to investigate the fundamental degradation methods occurring in solid oxide fuel cell (SOFC) cathodes when exposed to chromium and carbon dioxide contamination and to rationally design alkaline earth-based catalysts to increase stability and tolerance to contaminate poisoning. With a mechanistic and fundamental understanding of the degradation methods, advanced catalytic surface modifications can be applied to reduce degradation. The specific technical objectives are: (1) To identify/develop new catalysts (alkaline-earth based-) that are compatible chemically with the state-of-the-art cathode materials at high temperatures required for fabrication and with contaminates commonly encountered under operating conditions; (2) To improve the infiltration process for optimal control of the thickness, composition, and uniformity of the catalyst coatings; (3) To evaluate the electro-catalytic activity toward ORR of the chemically-stable materials when exposed to different types of contaminants using electrical conductivity relaxation measurements on bar samples and performance evaluation of catalyst-infiltrated cathodes; (4) To unravel the contamination-tolerant mechanisms of the new catalyst coatings under realistic environmental conditions (with different types of contaminants) using powerful in situ and in operando characterization techniques performed on model cells with thin-film/pattern electrodes, as guided by modeling and simulation; (5) To establish scientific basis for rational design of new catalysts of high tolerance to contaminants; (6) To validate the long term stability of modified LSCF cathodes in commercially available cells/stacks under ROC. Alkaline earth-based catalysts have been systematically explored and tested under various contamination conditions. BaCoO 3-δ (BCO) was shown to produce the best catalytic activity enhancement as well as stability in a variety of contaminating conditions, including CO 2 and chromium. The microstructural evolution was investigated with SEM, EDS, and Raman spectroscopy, showing the BCO catalyst prevents the formation of insulating SrCrO 4 by forming electrically conductive BaCrO 4 . Electrochemical relaxation measurements determined the BCO catalyst coatings increased the surface diffusion coefficient but did not significantly affect the diffusion coefficient and determined an optimum surface modification layer of 100 nm. A novel Ba 0.9 Co 0.7 Fe 0.2 Nb 0.1 O x (BCFN) catalyst was also shown to have excellent stability in chromium containing atmospheres. A novel surface sol-gel (SSG) surface modification, which offers superior thickness and compositional control, was applied to SOFCs to produce BaO catalyst coatings. SSG BaO coatings were shown to produce conformal coatings on the electrode surface, greatly4 increasing stability in chromium containing atmospheres. An atomic level mechanistic approach was applied to investigate the stability of PrBa 0.8 Ca 0.2 Co 2 O 5+δ (PBCC) with respect to a variety of common contaminants, demonstrating thermodynamically its superior stability in CO 2 containing atmospheres. Finally, the best catalyst coatings demonstrated in this project, BCO and PBCC, were applied to full cells which demonstrated superior stability for over 300 hours in CO 2 and Cr atmospheres.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2020

Resiliency of Degraded Built Infrastructure

Infrastructure resiliency depends on the ability of infrastructure systems to withstand, adapt, and recover from chronic and extreme stresses. In this white paper, we address the resiliency of infrastructure assets and discuss improving infrastructure stability through development of our understanding of cement and concrete degradation. The resiliency of infrastructure during extreme events relies on the condition, adaptability, and recoverability of built infrastructure (roads, bridges, dams), which serves as the backbone of existing infrastructure systems. Much of the built infrastructure in the US has consistently been rated D+ by the American Society of Civil Engineers (ASCE). Aged infrastructure introduces risk to the system, since unreliable infrastructure increases the likelihood of failures under chronic and extreme stress and are particularly concerning when extreme events occur. To understand and account for this added risk from poor infrastructure quality, more research is needed on (i) how the changing environment alters the aging of new and existing built infrastructure and (ii) how degradation causes unique failure mechanisms. The aging of built infrastructure is based on degradation of the structural materials, such as concrete and steel supports, which causes failure. Current work in cement/concrete degradation is based on (i) the development of high strength and degradation resistance concrete mixtures, (ii) methods of assessing the age and reliability of existing structures, and (3) modeling of structural stability and the microstructural evolution of concrete/cement from degradation mechanisms (sulfide attack, carbonation, decalcification). Sandia National Laboratories (SNL) has made several investments in studying the durability and degradation of cement based materials, including using SNL-developed codes and methodologies (peridynamics, PFLOTRAN) to focus on chemo-mechanical fracture of cement for energy applications. Additionally, a recent collaboration with the University of Colorado Boulder has included fracture of concrete gravity dams, scaling the existing work to applications in full sized infrastructure problems. Ultimately, SNL has the experience in degradation of cementitious materials to extend the current research portfolio and answer concerns about the resilience of aging built infrastructure.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Highly-Active and Contaminant-Tolerant Cathodes for Durable Solid Oxide Fuel Cells

The objective of this project is to investigate the fundamental degradation methods occurring in solid oxide fuel cell (SOFC) cathodes when exposed to chromium and carbon dioxide contamination and to rationally design alkaline earth-based catalysts to increase stability and tolerance to contaminate poisoning. With a mechanistic and fundamental understanding of the degradation methods, advanced catalytic surface modifications can be applied to reduce degradation. The specific technical objectives are: (1) To identify/develop new catalysts (alkaline-earth based-) that are compatible chemically with the state-of-the-art cathode materials at high temperatures required for fabrication and with contaminates commonly encountered under operating conditions; (2) To improve the infiltration process for optimal control of the thickness, composition, and uniformity of the catalyst coatings; (3) To evaluate the electro-catalytic activity toward ORR of the chemically-stable materials when exposed to different types of contaminants using electrical conductivity relaxation measurements on bar samples and performance evaluation of catalyst-infiltrated cathodes; (4) To unravel the contamination-tolerant mechanisms of the new catalyst coatings under realistic environmental conditions (with different types of contaminants) using powerful in situ and in operando characterization techniques performed on model cells with thin-film/pattern electrodes, as guided by modeling and simulation; (5) To establish scientific basis for rational design of new catalysts of high tolerance to contaminants; (6) To validate the long term stability of modified LSCF cathodes in commercially available cells/stacks under ROC. Alkaline earth-based catalysts have been systematically explored and tested under various contamination conditions. BaCoO 3-δ (BCO) was shown to produce the best catalytic activity enhancement as well as stability in a variety of contaminating conditions, including CO 2 and chromium. The microstructural evolution was investigated with SEM, EDS, and Raman spectroscopy, showing the BCO catalyst prevents the formation of insulating SrCrO 4 by forming electrically conductive BaCrO 4 . Electrochemical relaxation measurements determined the BCO catalyst coatings increased the surface diffusion coefficient but did not significantly affect the diffusion coefficient and determined an optimum surface modification layer of 100 nm. A novel Ba 0.9 Co 0.7 Fe 0.2 Nb 0.1 O x (BCFN) catalyst was also shown to have excellent stability in chromium containing atmospheres. A novel surface sol-gel (SSG) surface modification, which offers superior thickness and compositional control, was applied to SOFCs to produce BaO catalyst coatings. SSG BaO coatings were shown to produce conformal coatings on the electrode surface, greatly 4 increasing stability in chromium containing atmospheres. An atomic level mechanistic approach was applied to investigate the stability of PrBa 0.8 Ca 0.2 Co 2 O 5+δ (PBCC) with respect to a variety of common contaminants, demonstrating thermodynamically its superior stability in CO 2 containing atmospheres. Finally, the best catalyst coatings demonstrated in this project, BCO and PBCC, were applied to full cells which demonstrated superior stability for over 300 hours in CO 2 and Cr atmospheres

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

Benchmark problems for the Mesoscale Multiphysics Phase Field Simulator (MEMPHIS)

This report details the current benchmark results to verify, validate and demonstrate the capabilities of the in-house multi-physics phase-field modeling framework Mesoscale Multiphysics Phase Field Simulator (MEMPHIS) developed at the Center for Integrated Nanotechnologies (CINT). MEMPHIS is a general phase-field capability to model various nanoscience and materials science phenomena related to microstructure evolution. MEMPHIS has been benchmarked against a suite of reported classical phase-field benchmark problems to verify and validate the correctness, accuracy and precision of the models and numerical methods currently implemented into the code.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Materials Challenges and Opportunities for Energy Generation, Conversion, Delivery, and Storage (Applied Energy Tri-Laboratory Consortium Workshop Report)

This report documents the outcomes of the Tri-Laboratory Materials Workshop that was held July 31 and August 1, 2019 to begin addressing the needs, opportunities, and challenges associated with the development, fabrication, and testing of the needed materials and components for integrated hybrid energy systems (i.e., incorporating nuclear, fossil, and renewables for electric and thermal applications). This was accomplished by assembling the research program leads and principal investigators at Idaho National Laboratory (INL), National Energy Technology Laboratory (NETL), and National Renewable Energy Laboratory (NREL), who support the research and development of new technology and system integration. The team then identified and prioritized key materials development needs. This effort was intended to enhance communications and synergy among the Tri-Lab partners. Advanced functional and structural materials are central to transformative energy technologies for energy generation, conversion, delivery, and storage. With that in mind, the workshop focused on identifying and assessing the foundational materials research needs at both the basic and applied levels. Materials challenges include the ability to withstand harsh environments, such as high temperatures and pressures, corrosion, oxidation, or irradiation while maintaining flexible mission profiles and long service lifespans. Advanced energy system material challenges and needs range from materials for the capture, upgrading/concentration, storage, and delivery of low-grade heat to materials for high temperature environments that involve liquid metals, molten salt, and very high temperature gas heat delivery and storage systems. Material improvements are needed for hybrid energy systems due to accelerated corrosion and stress-fatigue failure of materials and equipment, which results from increased frequency and amplitude of thermal, mechanical, and electrical cycling of systems components. Multifunctional materials are needed for high temperature solid-oxide fuel cells, advanced electrochemical reactors, and in-process separation. Relative to materials manufacturing, application of advanced additive and subtractive methods need to be understood to develop both thin-layer homogenous materials and materials of graded composition. Materials modeling and machine learning will be critical to accelerate the design and production of power electronics, and nuclear reactor materials and fuel, as well as to gain an understanding of beneficial materials phenomena or deleterious microstructure evolution. There is also a need for standardized models, computational structures, data reporting protocols and modeling tools across the three laboratories. This would allow consistent results, analysis, and data sharing. Combining computational capabilities between the three laboratories (e.g., hardware, software) would greatly increase computational capabilities and throughput. The workshop identified the need for laboratories to anticipate and address problems that will occur during scale-up. Laboratory work must connect with industry to ensure that research focuses on processes that are scalable and marketable. Industry input and perspective are essential to guide laboratory research to meet these requirements and deploy new technology in industrial demonstrations. Another aspect of scale-up is the integration of multiple systems since new challenges often arise at the subsystem interfaces. Establishing a scale-up manufacturing demonstration/pilot plant, potentially as an industrial user facility, would be beneficial to the laboratories and industry. That modular scale-up manufacturing demonstration/pilot plant would allow researchers to find and resolve interface problems that cannot be identified by focusing only on individual parts. Communication exchanges among the organizers, attendees, and workshop survey responses indicate that the workshop was successful in achieving its goal to identify key technology gaps and research needs. Strong positive feedback was received on the sharing of ideas, capabilities, talent, and passion to move forward on the materials-related action items.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Binder Jet Printing of H13 Tool Steel

ORNL and Carpenter worked on evaluating H13 powders with different powder size distributions for deposition via binder jet additive manufacturing (AM). Binder jet AM has the potential to be a costeffective technique for fabrication of near net shaped tools with complex geometries and internal features such as cooling channels that can improve the production efficiency of injection/compression molding tools. However, a critical challenge in binder jet AM is the densification of the said tool for it to be usable. Powder size distribution can affect the process settings required to deposit the material and the subsequent sintering behavior. In this collaborative effort ORNL and Carpenter demonstrated that the process variables depend on the powder size distribution while the carbon pickup during sintering depends on the binder burnout atmosphere and temperature. On the other hand, there was no noticeable difference in the microstructural evolution of H13 deposited using the different powder size distributions.

42 ENGINEERING↗