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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Off-Gas Design and Testing from Advanced Chlorination Process

Chlorination of Zr alloy cladding with sulfur-chloride reagents is being considered as a means of separating the main metal from alloying elements, imbedded U, actinides, and fission and activation products to purify the Zr. This would allow the Zr to be disposed of as low-level nuclear waste or possibly be recycled. A multistage process was developed that involves several steps and waste streams. Recycling of sulfur-chloride reagents S 2 Cl 2 and SOCl 2 is planned to minimize the waste stream. The generation of off-gas and entrainment of volatiles is anticipated to be minimized. However, given the complex nature of spent nuclear fuel (SNF), some volatile components will be generated, including the solvents themselves; Cl 2 used for the regeneration of S 2 Cl 2 ; volatile fission product chlorides, such as Sb and 3 H; and chlorinated alloying components, such as Sn, Nb, Fe, and Mo. This report discusses the chemical phenomena that might give rise to volatile species and their planned capture. The volatility of the transition metals will depend on their oxidation state and the compounds that are formed, such as Zr tritide. Loading radionuclides in the process off-gas will depend on the inputs to the process. For instance, processing separated Zr to reduce waste will have a much lower loading of radionuclides than if alternative chlorination were used for decladding SNF. Much of the volatile process streams will be part of the solvent recycling, which may involve online scrubbing. Generally, a caustic scrubber should be included in the off-gas to remove acidic vapors (e.g., Cl 2 , SOCl 2 ). The decontamination procedures for removing these species could involve pretreatment (i.e., heating) options or reduction by contact with H 2 . This report discusses these options along with a framework for testing these alternatives in future experiments. Technologies for off-gas capture will leverage those developed in the Materials Recovery and Waste Forms program.

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

High-Fidelity Accelerated Design of High-performance Electrochemical Systems

Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation. In both of these areas, new electrochemical materials will be critical, but their development currently relies heavily on human-time-intensive experimental trial and error and computationally expensive first-principles, meso-scale and continuum simulations. To accelerate this process, our team has developed the AutoMat platform. AutoMat can accelerate development of new electrochemical materials along two avenues: first, automated input generation and management of simulations at multiple lengthscales as well as “handoff” of outputs from one lengthscale as inputs to the next; and second, replacement of the most computationally intensive simulation processes with machine-learned surrogate models. The crux of our team’s effort was not “reinventing the wheel” by developing entirely new techniques, but rather building a “superhighway” that allows existing state-of-the-art techniques to run faster and more smoothly than before. AutoMat can utilize tools spanning from first-principles quantum chemistry computations to automated robotic experimentation, and is driven by design space search techniques to reduce the number of iterations through the full simulation loop by rapidly targeting promising regions of design spaces such as single-atom alloy catalysts or blends of liquid electrolytes.

25 ENERGY STORAGE↗
DOE OSTI2026

A critical review on additive manufacturing of refractory alloys from a data analytics perspective- beyond nickel-based superalloys

Refractory alloys (RAs) are promising materials due to their exceptional physicochemical properties, but most research remains at the laboratory scale. For broader adoption, advancements in manufacturing are essential. Because their high stability makes conventional methods like machining and casting difficult, additive manufacturing (AM) is emerging as an effective approach for fabricating refractory alloy components. However, AM's repeated non-equilibrium thermal cycles introduce undesired features (e.g. defects, anisotropic microstructures, and residual stresses), which are magnified due to RAs’ unique properties. This paper comprehensively reviews the state-of-the-art methods of AM for refractory alloys. It explores data analytics techniques to establish design rules based on multi-fidelity experimental and computational methods. Furthermore, it investigates integrated, collaborative efforts to harmonise standalone databases, information, knowledge, and predictive models at multi-physics, multi-stage, and multi-scale. Unlike the existing literature that focuses primarily on material systems or process fundamentals, this work provides an integrated perspective on AM of refractory alloys from a data analytics standpoint, highlighting the roles of integrated computational materials engineering (ICME), verification, validation, and uncertainty quantification (VV&UQ), and digital twin-driven qualification in overcoming data scarcity and accelerating rapid qualification.

Additive manufacturing↗
DOE OSTI2023

Multiscale Modeling of Corrosion and Oxidation Performance and Their Impact on High-temperature Fatigue of Automotive Exhaust Manifold Components

The persistent need to reducing automobile emissions has led to the wide adoption of turbocharger technology and engine downsizing, which results in a substantial raise in exhaust temperature, reaching as high as 950°C. Therefore, the material selection for exhaust manifolds and turbocharger housings becomes significantly challenging. The successful development of the multiscale models on oxidation and corrosion performance, and their impact on high-temperature fatigue will enable the acceleration of new, high-performance, heat-resistant alloy solutions and the reduction of time and cost in achieving a durable design. In this project, we developed and validated multiscale models that can accurately predict the corrosion and oxidation performance and their impact on high-temperature fatigue of high-temperature automotive exhaust manifold components. The capability of accurately predicting the corrosion/oxidation-fatigue damage can significantly reduce the time and cost of achieving a durable design. The models were used to guide the development of new high thermomechanical fatigue (TMF) performance alloys.

Li, Mei↗
DOE OSTI2024

Design Solutes to Achieve Columnar-to-Equiaxed Transition and Grain Refinement in Cast Multi-principal-element Alloys

The multi-principal-element alloys (MPEAs), also referred to as high-entropy alloys (HEAs), have attracted extensive attention during the last decade and a half due to their unique and excellent properties. However, many MPEAs show coarse and anisotropic columnar grains in the as-cast state. While constitutional supercooling (CS)-driven parameters have been widely used to evaluate and predict the effect of solutes on columnar-to-equiaxed transition (CET) and grain refinement of diluted binary alloys, similar studies are lacking on MPEAs. Due to the multiple solute elements (solutes) and their high concentrations, the CS-driven parameters for MPEAs are different from those proposed for diluted binary alloys. Here, we derived the CS-driven parameters, including undercooling parameter and growth restriction factor, for MPEAs based on their physical significances, with the help of calculated phase diagrams. The calculated CS-driven parameters were then used to predict the effect of a solute on CET and grain refinement in NiCoFeCr MPEAs. Additional alloying solutes Nb, Ti, and V in the NiCoFeCr MPEA were also evaluated for their different CS-driven characteristics. In this study, the grain size of the as-solidified microstructures of NiCoFeCr with and without Nb, Ti, and V were compared and interpreted with the predicted tendency of the CS-driven parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Single-Bar SMT Creep-Fatigue Testing on Alloy 617 with Software Controls on elastic Follow-Up Feedback in Support of New Creep-Fatigue Design Methodology

The Simplified Model Test (SMT) is one of the alternative ways to calculate the creep-fatigue damage of elevated temperature components. The SMT approach unifies the creep and fatigue damage, simplifying the damage calculation process with improved accuracy. Traditionally, SMT tests has have been conducted through the two bars: first is the driver bar and second is the test bar. The driver bar stays elastic and imposes the confinement to the second bar. This experimental procedure requires two test frames and a large test specimen, which limits the test parameter range and accessibility of this testing procedures. Hence, a single-bar SMT (SB-SMT) tests has been developed to simplify complexity in SMT experiment setup. The software-controlled SB-SMT test process has been introduced which completely replaces the driver bar. This paper discusses the single-bar SMT (SB-SMT) test procedure with software controls. The challenges and critical parameters in the software-controlled SB-SMT procedure are addresses addressed and recommendations are provided. A scoping test with a set of wider strain range, elastic follow-ups and dwell time validated the proposed test procedure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Long-Term Thermal Aging Effect Evaluation for Grade 92 and 316L at The LWR Relevant Temperature

Life extension of the existing nuclear reactors imposes accumulated damages, such as higher fluences and longer periods of corrosion, to structural materials, which would result in significant challenges to the traditional reactor materials such as type 304 and 316 stainless steels. Advanced alloys with superior radiation resistance will increase safety margins, design flexibility, and economics for not only the life extension of the existing fleet but also new builds with advanced reactor designs. The Electric Power Research Institute (EPRI) initiated a collaboration with the Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program on the Advanced Radiation Resistant Materials (ARRM) program, focused on developing and test degradation resistant alloys for light water reactor (LWR)- relevant environments. Based on a comprehensive microstructure and property screening, the ARRM program selected a total of five alloys (i.e., Grade 92, 310, 690, 718A, and 725), together with 316L and X-750 as references, for further investigations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Manufacturing and Hydro Testing of a 10 MWe sCO2 Axial Turbine

Abstract Supercritical CO2 (sCO2) power cycles designed for thermodynamic efficiencies above 50% push component designs into pressure and temperature combinations that approach the limits of American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code and ASME Piping Design Codes with Turbine inlet conditions near 250 bar and 715 °C. These design conditions which limit available materials to high nickel alloys are compounded by the high fluid densities of sCO2 at these conditions which result in very compact machinery at the 10 MWe class which are currently being developed for the DOE supercritical transformational electric power (STEP) program. Design of the STEP Turbine is complete with integrated lessons learned from a previous 1 MWth subscale demonstration of a high temperature 10 MWe Turbine designed under the DOE SunShot Program. Fabrication of the STEP Turbine is nearing completion with all housings and pressure containing components in hand. This paper provides a detailed look at design intentions and limitations for the pressurized sections of the main pressure casing and the fabrication of key turbine components. Additional discussion is provided regarding postfabrication inspection and acceptance of the casing for use after issues with casing welds were identified late in the fabrication process.

Engineering↗
DOE OSTI2020

Recent progress in the design of the K-DEMO divertor

The preliminary conceptual design of the Korean fusion demonstration reactor (K-DEMO) with a major radius of 6.8 m and the fusion power of 2200 MW has been studied since 2012. The overall configuration of the K-DEMO divetor system based on the ITER-like water-cooled tungsten technology is a double-null type symmetric divertor subdivided into 32 toroidal modules for the vertical maintenance. A detached divertor scenario with impurity seeding was considered as the primary approach for the power exhaust to reduce the peak heat flux lower than the engineering limit of 10 MW/m 2 . The power exhaust performance at the scrap off layer was estimated by using UEDGE-2D code, a two-dimensional fluid transport code for collisional edge plasma and neutral species like N, Ne, and Ar. Particle and heat flux on inboard and outboard divertor targets were calculated for the detached cased depending on parameters such as the impurity seeding rate, pumping rate, and the pedestal density. On the other hand, a magnetic solution like X-divertor, snowflake divertor, and super X-divertor to expand the plasma wet area was considered for K-DEMO since the detached divertor increasing a radiation fraction by impurity seeding might be able to be unstable. However, the extremely high current of poloidal coils was required more than the engineering limit, 20 MA, to form magnetic field lines for the alternative divertors. Based on the physical calculation of the edge plasma, engineering analyses were carried out to find out the thermal and structural reliability. The thermo-hydraulic analysis confirmed thermal stability, whether all comprising materials are operating within their allowable temperature windows when the case of the peak heat flux is set to 10 MW/m 2 on the outboard divertor target. The response surface optimization method derived two optimal design candidates employing two kinds of heat sink materials, respectively: the reduced activation ferritic martensitic (RAFM) steel and CuCrZr alloy. Additionally, the drawbacks and merits of the two materials were definite. The optimal design with applying RAFM steel was vulnerable to withstand thermal and mechanical loads since low thermal conductivity caused too thin thickness of the heat sink. On the other hand, the CuCrZr alloy has critical drawbacks in terms of activation and radioactive waste despite its high thermal conductivity. Meanwhile, preliminary electromagnetic (EM) analysis was carried out to estimate the EM loads caused by the abnormal behaviors of plasma since EM loads are one of the most critical external loads for designing a DEMO divertor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Optimizing the Operational Parameters of an Electrochemical Purification Cell for Corrosion Mitigation in CSP Plants During Operation: Preprint

To make concentrating solar power (CSP) cost-competitive, the next generation of CSP plants will increase efficiency by operating at a higher temperature, which will require a new thermal energy storage material. One option for the thermal energy storage material is a ternary chloride salt that is stable at the temperatures required, but reacts easily with the atmosphere to form MgOHCl, a corrosive impurity. If left unchecked, this impurity will corrode the containment alloys, potentially leading to dangerous spills. We are working to design an electrochemical purification cell to remove MgOHCl from the molten chloride salt during CSP plant operation. In this paper, we use predictive modeling to assess the rate at which purification must occur. Additionally, we analyze possible process flow pathways for the molten chloride salts. Ultimately, we determine that implementation of a single reactor through which all chloride salts flow is the most efficient design to reduce impurity concentration below 0.1 mol % impurity.

concentrating solar power↗
DOE OSTI2024

Trace Element Control in Master Alloys and Impact of Feedstock Purity on a Ta-containing Steel during Electroslag Remelting

Advanced materials design often leads to new complex compositions that can bring challenges to manufacturing processes. Melt processing of a novel alloy with a tight chemistry range revealed a 25% Ta loss after manufacturing. Vacuum induction melting (VIM) and electroslag remelting (ESR) were performed using industry practices at a laboratory scale and the loss occurred from the VIM electrode to the ESR ingot. Several tools were used for characterization, including combustion analysis, scanning electron microscopy, and electron probe microanalysis for observation of the precipitate and inclusion phases. Additionally, computational modeling of the ESR process was performed to predict macrosegregation and inclusion travel. It was found that a significant amount of Ta2O5 inclusions formed during VIM and were transferred to the slag during ESR. This led to a 95% decrease in density of inclusions explaining to Ta loss. Pathways to better control advanced alloy chemistries during melt processing will be discussed.

Detrois, Martin↗
DOE OSTI2020

World Congress on High Entropy Alloys (HEA 2019) (Final Technical Report)

The World Congress on High Entropy Alloys (HEA 2019) was a new, cross-disciplinary technical forum designed to share the latest research advances in materials with high configurational entropy, including both single-phase and multiphase (compositionally complex) alloys. This inaugural World Congress on High Entropy Alloys (HEA 2019) was held in Seattle, Washington from November 17-20, 2019 with the goal of HEA 2019 to assemble the international community of HEA stakeholders – including researchers, educators, and engineers – to capture the current state-of-the-art, identify current gaps in HEA efforts, and to set the stage for the future growth and application of HEAs worldwide. HEA 2019 was the environment for leaders in this field to showcase their researc, and network with their peers to informally discuss the latest developments in high entropy alloys, while also making valuable professional connections. The goal of the organizers was to ensure a high-quality conference that held a strong international presence and aimed to highlight the important advances in HEA research on a global scale. Student participation was greatly encouraged in order to give students exposure to recent advances in this field. This meeting was open to all interested individuals and attempted to provide the most advanced technical meeting possible, with a mixture of attendees from research and development, industry, and education.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Internal Insulation and Corrosion Control of Molten Chloride Storage Tanks

The National Renewable Energy Laboratory (NREL) is leading a multi-national team to validate the potential of a chloride-based molten-salt system that uses a ternary blend of MgCl2/KCl/NaCl to provide higher temperature thermal energy storage capability, thereby allowing for higher efficiency in the power block of next-generation concentrating solar power systems. While higher thermal stability, greater operating temperature, and a more efficient power cycle are possible, the molten chlorides present several unique challenges, including the design of internal liners to prevent the corrosion and thermal stress of alloy tank shells. This work discusses issues and potential solutions related to containment of molten chloride salt, specifically the design of the molten salt storage tanks.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2025

Hierarchical Gaussian process-based Bayesian optimization for materials discovery in high entropy alloy spaces

Bayesian optimization (BO) is a powerful and data-efficient method for iterative materials discovery and design, particularly valuable when prior knowledge is limited, underlying functional relationships are complex or unknown, and the cost of querying the materials space is significant. Traditional BO methodologies typically utilize conventional Gaussian Processes (cGPs) to model the relationships between material inputs and properties, as well as correlations within the input space. However, cGP-BO approaches often fall short in multi-objective optimization scenarios, where they are unable to fully exploit correlations between distinct material properties. Leveraging these correlations can significantly enhance the discovery process, as information about one property can inform and improve predictions about others. Here, this study addresses this limitation by employing advanced kernel structures to capture and model multi-dimensional property correlations through multi-task (MTGPs) or deep Gaussian Processes (DGPs), thus accelerating the discovery process. We demonstrate the effectiveness of MTGP-BO and DGP-BO in rapidly and robustly solving complex materials design challenges that occur within the context of complex multi-objective optimization over FCC FeCrNiCoCu high entropy alloy (HEA) spaces, where traditional cGP-BO approaches fail. Furthermore, we highlight how the differential costs associated with querying various material properties can be strategically leveraged to make the materials discovery process more cost-efficient.

36 MATERIALS SCIENCE↗
DOE OSTI2022

MPEX High Heat Flux Plasma Dump Design, Manufacture, and Articles Test

Here, the Material Plasma Exposure eXperiment (MPEX) device is a steady-state linear plasma device currently in the final design phase at the Oak Ridge National Laboratory. This device will reach ion fluences up to 10 31 m -2 and will be used to expose neutron-irradiated materials to divertor-relevant plasmas and to study the effects of plasma-material interactions. These studies will elucidate the complex effects of plasmas with divertor candidate materials capable of withstanding high heat flux and high fluences for next-generation fusion devices. Bidirectional plasma will be generated using a high-power (200 kW) helicon source. Plasma will be confined by superconducting magnets. The last plasma-facing component on the upstream side of the MPEX device is the dump, which has been designed to intercept plasma and energetic particles. The dump will have a total heat load of 9.2 kW. A copper alloy (Glidcop AL-15) was selected for use in the water-cooled flange design because of its high thermal conductivity, its retaining strength at elevated temperatures, and its ability to be used in the high-temperature braze joints used in this application. Titanium-zirconium-molybdenum (TZM) tiles are brazed to the Glidcop AL-15 flange using high-temperature braze alloy. External water-cooling channels are used on the dump flange to prevent water leakage inside the vacuum space. This article discusses the details of the high heat flux dump design, including the computational fluid dynamics (CFD) and structural analyses performed to validate the design to meet the operational requirements of the MPEX device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Impact of U-10Mo HALEU Fuel Element Tolerances on the Massachusetts Institute of Technology Reactor safety and operational performance – Neutronics

The U.S. is coordinating efforts for the conversion of six U.S. high performance research reactors (USHPRR), including one critical assembly from highly enriched uranium (HEU) to low-enriched uranium (LEU). In order to continue the mission of these reactors, including the Massachusetts Institute of Technology Reactor (MITR), and achieve similar performance, high assay low-enriched uranium (HALEU) with a high-density metallic alloy of uranium with 10 wt% molybdenum (U-10Mo) is being considered. Following the preliminary design of the proposed MITR LEU fuel elements using the U-10Mo monolithic alloy, the impact of the fabrication specification was assessed. This work focuses on the analysis of select neutronics characteristics of the MITR LEU core as a function of the variation of the relevant fuel specification parameters (e.g., U-10Mo composition, fuel plate thickness, etc.). A separate article submitted to this journal addresses the impact on the thermal hydraulic performance. The analyses in these works are performed based on an all-LEU conversion management plan identified in previous work, in which only the proposed elements are utilized for achieving the conversion of MITR. The variations of two main neutronics characteristics are assessed as a function of the variability of the specification parameters resulting from the fabrication process: the MITR LEU core reactivity and the fuel cycle length. The main findings of this work show that the MITR core can meet the operational requirements during the LEU transition plan under the limiting fabrication parameter combinations considered. In addition, the analyses show that the dependency of the core neutronics characteristics on the specification parameters is highly linear within the specification tolerances. The rates of variation are reported in detail for each parameter and can serve as a powerful tool for future MITR fuel management in cases such as when HALEU supply is established that may allow additional cycle length or other operational benefits.

Conversion↗
DOE OSTI2024

Predictive binder jet additive manufacturing enabled by clean burn-off binder design

Binder jet additive manufacturing (BJAM) presents an avenue for advanced manufacturing of various high-value materials due to high deposition rates, scalability, and geometric flexibility. However, conventional organic binders in BJAM introduce residual carbon upon pyrolysis, often leading to imprecise alloy composition in the final sintered part. The undesirable residual carbon from binder burn-off limits the application of BJAM for high-performance alloys due to their high sensitivity to carbon addition. In this study, we have designed poly(vinylpyrrolidone-co-vinyl acetate) (PVP-VAc) as a clean burn-off binder for BJAM, where excess oxygen groups in VAc enable cleaner burn-off and reduce residual carbon retention. Compared to a widely used commercial binder, the optimized PVP-VAc binder reduced residual carbon retention by over 90% in H13 tool steel. The significant reduction in residual carbon enables predictable printing and subsequent sintering of complex H13 tool steel geometries, an alloy known to have substantial challenges around distortion due to the sintering window shifting from carbon addition. The design of a clean burnout binder provides a major path forward for BJAM by enabling new AM designs and applications for composition-sensitive high-performance alloys, such as nickel-based superalloys, titanium alloys, and high alloyed steels.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multiscale study of helium diffusion in Ni-Cr alloys: Short-range trapping versus long-range channeling

Ni-Cr alloys are widely employed as structural materials in fast nuclear reactors but are vulnerable to high-temperature helium (He) embrittlement (HTHE) under fast neutron irradiation. A comprehensive understanding of He diffusion in Ni-Cr alloys, which governs the kinetics of HTHE, is therefore essential for developing resilient materials and preventing failure. In this work, we reveal the underlying mechanisms of He diffusion in pure Ni and Ni-Cr alloys by integrating density functional theory (DFT) with atomic kinetic Monte Carlo (AKMC) simulations. Our findings uncover a non-monotonic dependence of He diffusivity on Cr concentration, contradicting the monotonic trends predicted by DFT-parameterized theories. At low Cr concentrations, He diffusion is dominated by short-range trapping, characterized by multiple trapping sites and a distinct mechanism within the first nearest neighbor of Cr, differing from that in pure Ni. At high Cr concentrations, these local traps become interconnected, forming long-range fast diffusion channels that enhance He mobility. The competition between localized trapping and extended channeling results in a diffusivity that first decreases, then increases with rising Cr content. These atomic-scale insights offer critical guidance for the design of radiation-tolerant Ni-based alloys. Moreover, the combined DFT-AKMC methodology and the concept of random walker diffusion through interconnected energy basins present a broadly applicable framework for studying transport phenomena in disordered systems.

36 - MATERIALS SCIENCE↗