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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 19 records

Application of Electrochemical Methods to Molten Salt Reactors: Draft TLR Documenting Assessment of Electrochemical Monitoring

Nuclear Regulatory Commission (NRC) is developing the regulatory framework and technical expertise to support regulatory review of advanced non-water reactors, including molten salt reactors (MSRs). In an MSR, it is essential that the salt chemistry be maintained in a desired range in terms of redox potential for reliable operation and mitigation of corrosion to structural materials in the reactor, particularly the reactor vessel and heater exchanger. Measuring the redox potential of the salt in the reactor would also allow for the material lifetimes to be predicted more accurately, and chemical issues to be diagnosed more quickly. In addition to the chemical composition analysis by ICP-MS, electrochemical methods including potentiometry and linear wave scanning (LSC) were also used in molten salt reactor experiment (MSRE) for redox potential monitoring purposes. Electrochemcial methods offers unique advantages such as quick turnaround in results and unique capability of in-line monitoring of redox potential, and are considered popular electroanalytical techniques that can be used to monitor redox potentials and salt chemistry including impurities. The last two decades have seen significant advances in science and engineering of electrochemical methods for potential application to molten salts. The primary goal of this report is to assist NRC in understanding the monitoring of the salt chemistry by electrochemical methods and provide NRC reviewers with necessary information and tools to support regulatory review of MSR designs. This reports consists of two majors parts—Part 1, chemical potential of molten salts and effects by fission process in MSR; Part 2, assessment of electrochemical methods for application to MSRs. The TRLs of the typical relevant electrochemical methods for molten salts were evaluated based on the DOE TRL guidelines and upon a review of the current status of the electrochemical methods for two typical salt systems, fluoride and chloride, for MSRs.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Entrapment Behavior of Solid Surrogate Fission Products at Engineered UN Nano‐Hetero‐Interfaces Within Metallic Nuclear Fuels

Nanometric hetero-interfaces provide a wealth of scientific and engineering opportunities due to their complex and often misunderstood properties that can differ from their respective bulk constituents. In this work, the ability for engineered nanostructures within a bulk U─Mo alloy to arrest simulant fission products is investigated experimentally and computationally. Nanostructured 90 wt% U/ 10 wt% Mo (U-10Mo) with 7.1 at% Nd is consolidated using spark-plasma- sintering (SPS) techniques and is heat-treated at 500 °C under vacuum for 24, 100, 500, and 1000 h. Analysis on the sintered and heat-treated U-10Mo reveals rapid kinetics in Nd diffusion to nanocluster sites, with evidence of Nd diffusion occurring during sintering and during the following heat-treatment. The segregation behavior of Nd at two different U─Mo/UN interfaces is computationally verified using density functional theory (DFT) to reinforce experimental data.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Uranium Doped Gallium Nitride Epitaxial Thin Films

Gallium nitride (GaN) is near ubiquitous in modern day technologies, forming the backbone of solid-state lighting and high-power electronics. Engineering the physical properties of GaN has been investigated to some degree by the incorporation or doping of most of the elements of the periodic table, but the actinides remain unexplored. Molecular beam epitaxy is used to demonstrate uranium doping of GaN single crystals. High structural quality of the host matrix is maintained despite partial elemental segregation of the uranium dopant into 1D structures at the levels presented here. Electronic transport measurements reveal relatively high conductivity, which persists down to cryogenic temperature and is characterized by the formation of narrow gaps in the electronic band structures very close to the Fermi level. Photoluminescence measurements reveal that the U-doped GaN exhibits optical behavior similar to that of the GaN substrate. The addition of actinide materials to a non-centrosymmetric, optically active, radiation-hard, and electronically tunable host matrix opens a world of possibilities for investigating and leveraging elements with high electron correlations in the pursuit of novel devices.

36 - MATERIALS SCIENCE↗

Neutron and x-ray computed tomography of a natural uranium tristructural isotropic (TRISO) fuel compact

A natural uranium-based, unirradiated tristructural isotropic (TRISO) fuel compact was nondestructively imaged using both X-ray (XCT) and neutron computed tomography (nCT). While XCT of compacts can provide information on fuel kernels, imaging artifacts preclude examination of the graphite matrix. In this work, nCT was used for the first time on a TRISO compact to examine the graphite matrix. A crack was clearly resolved within the graphite matrix, proving that nCT is a viable tool for nondestructive volumetric examination of the matrix material in TRISO fuel compacts. The XCT and nCT data were then fused together to create a more comprehensive dataset containing both matrix and fuel kernels.

36 - MATERIALS SCIENCE↗

Machine learning guided prediction of solute segregation at coherent and semi-coherent metal/oxide interfaces

Investigation of semi-coherent metal/oxide interfaces with misfit dislocations using density functional theory (DFT) is computationally intensive to the point of being prohibitive, as it involves several hundreds to many thousands of atoms. In this study, we examined the solute segregation behavior at the Fe/Y 2 O 3 interface—a model interface for cladding applications in nuclear fission reactors—using a combination of DFT calculations and machine learning (ML) approaches. Both coherent and semi-coherent interfaces were considered. ML models were trained on DFT-calculated segregation energies to identify the key chemical, geometric and strain energy related features that govern solute segregation behavior at coherent Fe/Y 2 O 3 interfaces. Furthermore, it was found that ML models when trained on DFT calculated segregation energy of elements at a coherent interface, comprising of about a hundred-atom supercell, can predict the segregation energy of elements at a semi-coherent Fe/Y 2 O 3 interface (with multiple hundreds of atoms) at a fraction of computational cost (1/35th), with an accuracy comparable to DFT calculations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Electrochemical recovery of Gd into liquid Bi in molten LiCl-KCl-GdCl 3

The electrochemical recovery of Gd into liquid Bi electrodes was investigated in molten LiCl-KCl-GdCl 3 electrolyte at 773–973 K using constant currents of 10–150 mA cm −2 . High round-trip coulombic efficiency (>97 %) was demonstrated for deposition and removal of Gd into and from liquid Bi at all temperatures, confirming chemically reversible electrode reactions towards high recovery yield of Gd using liquid Bi. Furthermore, the overpotential associated with deposition of Gd into the liquid Bi electrode gradually increased with current density and decreased with temperature. At the lowest temperature of 773 K, a steep increase in overpotential was evident at high current densities due to slower mass transport and low solubility of Gd in liquid Bi (0.5 at.% Gd). Based on the impedance spectra of Bi electrodes at 773–973 K, the exchange current density was estimated to be 110–220 mA cm −2 , indicating facile charge transfer at the liquid electrode-electrolyte interface. Post-mortem characterization of Bi cathodes after electrolysis at 873 K indicated the formation of a solid GdBi(s) compound layer at the Bi electrode surface. Chemical analysis of Bi cathodes at various deposited Gd compositions resulted in Faradaic efficiencies of ∼75–84 %, promising a high recovery yield of Gd from molten salts using a strongly-interacting liquid Bi electrode.

36 - MATERIALS SCIENCE↗

Mechanistic nuclear fuel performance modeling of uranium nitride

Uranium mononitride (UN) is a nuclear fuel candidate for advanced reactor designs and an alternative being considered for light water reactors due to its higher thermal conductivity and uranium density than UO 2 . As with any nuclear fuel, swelling and fission gas release are important factors for safety, while also being some of the hardest phenomena to predict with a high degree of confidence. Getting a grasp on the gas swelling behavior and release is crucial to lower the barrier for UN utilization. An accelerated swelling rate at high temperatures observed experimentally, sometimes referred to as “breakaway swelling,” further complicates the prediction of fuel performance of UN. A mechanistic model has been developed using a multiscale approach to describe the intragranular and intergranular fission gas behavior. Lower-length-scale calculations have been employed to inform models of the gas and self-diffusion behavior, resolution rate, and bubble shape. Leveraging previous work on high burnup UO 2 , two populations of intragranular bubbles are considered; small bulk bubbles and larger bubbles located along dislocations. The dislocation bubbles were found to be crucial to the overall swelling behavior, and the breakaway swelling transition was associated with the transition in the gas atom diffusion mechanism from an irradiation-induced athermal diffusion regime at lower temperatures to an intrinsic thermal equilibrium regime at higher temperatures, accelerating the growth of the dislocation bubbles. Similarly, the threshold for fission gas release was associated with the grain boundary vacancy diffusivity surpassing the gas atom diffusivity at sufficiently high temperatures, allowing the over-pressurized grain boundary bubble to grow in size and interconnect. Using thermo-mechanical models with the fission gas model, two integral fuel pin assessment cases were simulated. Finally, this work demonstrates the ability of a multiscale approach to accelerate the understanding of advanced fuel forms when experimental data is limited.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterization of in-situ and ex-situ ion-irradiated additively manufactured 316L and 316H stainless steels

Additively manufactured (AM) 316 stainless steel (SS) differs from its wrought counterpart in its unique dislocation cell structure and the presence of segregation and oxide particles at the cell walls. This work investigated the evolution of the microstructure in laser powder bed fusion (LPBF) 316L and 316H SS under in-situ 1 MeV Kr ion irradiation at 600 °C to 5 dpa, and ex-situ 4 MeV Ni ion irradiation at 300 °C and 600 °C from 0.2 dpa to 10 dpa, with a dose rate for all experiments of 10 -3 dpa/s. The results reveal that the dislocation cell structure results in heterogeneous formation of dislocation loops and voids, particularly at 600 °C, where loops tend to form within the cell interiors while voids form at the cell boundaries. LPBF 316H has a reduced level of swelling compared to LPBF 316L due to prolonged incubation. Energy Dispersive X-ray Spectroscopy (EDS) mapping indicates Ni and Si segregation at void surfaces due to radiation-induced segregation. At 300 °C, where voids are absent, the distribution of dislocation loops and stacking fault tetrahedra appears to be uniform. Dislocation cell structures mostly disappeared by 2 dpa for all conditions in this work. M 23 C 6 carbides were observed in LPBF 316H at 600 °C as early as 0.2 dpa, but not in LPBF 316L. Nanoindentation was performed to obtain the hardness of irradiated materials. In conclusion, this work illustrated the influence of additive manufacturing processes on microstructure evolution under irradiation, revealing the differences as well as the similarities as compared with wrought 316 SS, and the AM-related phenomenon that can potentially occur under neutron irradiation in nuclear reactors.

36 - MATERIALS SCIENCE↗

Elucidating the effect of minor-actinide addition on fuel-cladding chemical interaction in an HT-9 clad U-Pu-Zr metallic fuel irradiated to 6.15 at.% burnup in EBR-II

Scanning and transmission electron microscopy (S/TEM) were used to characterize the local fuel-cladding chemical interaction (FCCI) in one cross-section taken from a HT-9 clad U-20.3Pu-10Zr-1.2Am-1.3Np (in wt.%) fuel irradiated to 6.15 at.% burnup with inner cladding temperatures ranging between 460–490 °C. Results showed that the total interaction thickness between fuel and cladding was <10 µm. Fe infiltrated the fuel to form U-Zr-Fe phases while fuel elements or lanthanides did not infiltrate into the cladding. Np was not involved in the formation of any phases in the examined locations; however, Am played a role by forming a ∼2 µm thick homogeneous Fe-Pu-Am planar front at the inner cladding wall. An oxidized Na layer existed in the fuel-cladding gap with Fe and lanthanide particles dispersed within, suggesting Na could facilitate the transport of fuel and cladding constituents. Secondary phases, including an FCC Zr-rich phase, lanthanide phases, and α’-Cr(Fe) were identified in the outer fuel and FCCI regions. Furthermore, this study suggests that, for the irradiation conditions specific to this cross-section, minor actinides have little impact on FCCI behavior beyond what would be observed in typical HT-9 clad U-Pu-Zr fuel pins systems.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Through-thickness fracture behavior of neutron-irradiated nuclear graphite NBG-17 Using X-ray micro-CT

Achieving precise control over crack propagation in nuclear graphite and conducting quantitative analysis remain challenging. In this study, the through-thickness fracture behavior of pristine and neutron-irradiated (700 °C, ∼7 dpa) NBG-17 nuclear graphite was investigated using split-disc testing coupled with micro-computed tomography (micro-CT). A notably lower number of micropores was observed in the neutron-irradiated specimen. The fracture toughness of neutron-irradiated NBG-17 was measured to be 1.45 MPa√m, compared to 1.17 ± 0.05 MPa√m for the pristine specimen. In both materials, cracks were found to initiate at the filler–binder interface, and often correlated with microstructural features such as pores and thermal cracks. Crack bridging and deflections emerged as the primary toughening mechanisms in both unirradiated and irradiated NBG-17. However, compared with the pristine specimen, the cracks in the neutron-irradiated specimen were more likely to grow trans granularly, resulting in less deflected crack paths. The reduced micro-porosity and strengthened filler–binder boundaries were considered to be the cause of the observed differences in crack morphologies. In conclusion, this study provides a qualitative analysis of the fracture behavior of neutron-irradiated nuclear graphite in the absence of radiolytic oxidation.

36 - MATERIALS SCIENCE↗

First-principles investigation of cerium and neodymium diffusion in BCC chromium and vanadium via vacancy-mediated transport

Lanthanide transport plays a crucial role in the performance and longevity of metallic nuclear fuels. This study examines the diffusion behavior of Ce and Nd—two major fission products—in body-centered cubic (BCC) Cr and V, which are potential liner or coating materials for mitigating fuel-cladding chemical interactions (FCCI). Using density functional theory (DFT) calculations and self-consistent mean-field (SCMF) analysis, the vacancy-mediated diffusion coefficients are evaluated. Our findings reveal that Ce and Nd act as oversized solutes and are strongly bound to vacancies in BCC Cr and V, with diffusivities in Cr significantly lower than in V and in hexagonal closed-packed (HCP) Zr, as investigated in our previous work. The activation energies for Ce and Nd diffusion are 3.39 and 3.32 eV, respectively, in BCC Cr, and 2.56 and 2.33 eV, respectively, in BCC V. Analysis of vacancy drag and partial diffusion coefficient ratios indicates a strong tendency for lanthanide enrichment at vacancy sinks in BCC Cr, and to a lesser extent in BCC V, with this effect persisting up to the melting point in Cr and remaining substantial for Nd in V at high temperatures. Under irradiation, the increase in vacancy concentration is expected to enhance lanthanide transport, potentially accelerating interactions at liner-cladding interfaces. Although BCC Cr exhibits relatively low lanthanide diffusivities under equilibrium conditions, the expected segregation tendencies under irradiation suggest that Zr liners may be a more favorable option. Further investigations using rate theory, cluster dynamics, and phase-field modeling are required to quantitatively assess the performance of these materials in reactor environments.

36 - MATERIALS SCIENCE↗

High-resolution characterization of ceramic-metal interface of TiN coating on ferritic-steels for nuclear application

Advanced fuel cladding is critical for fast reactors, offering sufficient thermal conductivity, mechanical and dimensional stability and radiation tolerance of the cladding base material. Additionally, it must provide corrosion resistance and high temperature coolant compatibility on the cladding outer surface, as well as chemical stability on the cladding inner wall against fuel cladding chemical interaction (FCCI). TiN ceramic coating has been considered an effective diffusion barrier for inner and outer cladding-walls for enhanced performance. The TiN-metal interface microstructure and chemistry play a critical role in coating bond strength and integrity under harsh conditions. High-resolution transmission electron microscopy characterization of ceramic-metal interface at atomic resolution in unirradiated, irradiated and thermal cycled conditions were performed. The interface remained intact after irradiation up to 200 dpa or thermal cycling five times up to 550 °C. In conclusion, this work discusses the potential impact of these results on coating performance and design for advanced claddings.

36 - MATERIALS SCIENCE↗

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↗

Mapping the Microhardness of Al Matrix in U-7Mo/Al Dispersion Fuels at Medium and High Burn-up by in situ Nanoindentation

The mechanical degradation of the Al matrix in U-7Mo dispersion fuels was detected after irradiation in previous studies, but more details of the degradation mechanism are not clear yet to clarify the root cause. In this study, microhardness mapping in fresh and irradiated U-7Mo dispersion fuels coated with ZrN, with burn-up of 3.35 × 10 21 and 6.28 × 10 21 f/cm 3 , are measured to reveal the hardening of the Al matrix as a function of distance to fuel particles. Micro cubes were pulled by plasma focused ion beam scanning electron microscopy and tested by in situ nanoindenter with Berkovitch tip. Size effects are measured in medium and high burn-up samples. The higher burn-up specimen exhibits a more pronounced size effect when indent load is lower than 20 mN. Size effect correction models are also calculated by plots fitting, which predicts the true microhardness without size effect. Results shows that the hardness of the Al matrix near the ZrN coating has the highest value, then decreases moving away from the coating and become stable when the distance reaches ∼10 µm. The hardness starts increasing again getting closer to the next fuel particle, which makes the hardness distribution between two fuel particles to be “U” shape.

36 - MATERIALS SCIENCE↗

Chromium enhances the mechanical performance of 3d transition metal high entropy alloys

A comprehensive examination of the compositional effects on the deformation behavior of high entropy alloys (HEAs) was conducted through nanoindentation, indentation creep, and stress relaxation experiments at ambient temperature. The alloys investigated included NiCoFe, NiCoCr, NiCoCrFe, and NiCoCrFeMn, all of which underwent identical thermomechanical processing. From the experimental results, NiCoCr exhibited the highest maximum shear stress for dislocation nucleation (13 GPa) and nanoindentation hardness (3.8 GPa) among the alloys tested. It also showed the lowest stress sensitivity (0.02) and activation volume (3–4 b 3 ) under creep and stress relaxation conditions, indicative of its superior plastic flow properties. Density functional theory (DFT) calculations further revealed an uneven charge density and larger bonding-length variation in NiCoCr due to the presence of Cr, which increased lattice distortion, impeding dislocation movement. Furthermore, in this study, post-deformation microscopy using transmission electron microscopy (TEM) revealed a high density of stacking faults and twins in NiCoCr that effectively enhanced its creep strength. The results highlight the significance of specific elemental effects, particularly from Cr in this study, over configurational entropy effect (i.e., compositional complexity) in governing the deformation microstructure and mechanical properties of HEAs. Finally, these insights will be instrumental for the design and optimization of advanced alloys for load-bearing applications.

36 - MATERIALS SCIENCE↗

A dual dynamic shutter system for accelerating ion irradiation sample throughput via lateral gas implantation gradients

Ion irradiation for material performance testing is limited due to its serial nature, which allows for only one value of the implantation (appm) versus dose (dpa) parameter space to be explored for each ion and experiment at a time. While ion irradiation can accelerate the process by up to three orders of magnitude compared to neutron irradiation experiments, the sample throughput for ion irradiation remains relatively low. To address these limitations, a novel capability has been developed at the Michigan Ion Beam Laboratory (MIBL), enabling for the creation of single- and two-dimensional lateral ion implantation gradients using recently installed motorized-controlled ion-beam shutters. This advancement can generate a wide scope of the two-dimensional (H+, He2+) implantation parameter space within a single sample. Integration of this new capability now allows for dual- and triple-ion beam experiments to be performed with full user control over not only the ion implantation depth, but also laterally across the sample by imposing ion implantation concentration gradients, thus providing researchers with a high-throughput means for material testing under various irradiation conditions. Furthermore, recent improvements in MIBL's microbeam ion-beam analysis (IBA) target station now allow for probing these concentration gradients in irradiated alloys with exceptional spatial resolution, down to 10 µm. These two approaches promise to significantly improve ion irradiation capabilities and increase the sample throughput by several orders of magnitude. The application of the shutter technique plus the subsequent microbeam characterization of the imposed implantation gradients are showcased by two proof-of-principle ion-irradiated experiments, one performed on single-crystal Si and the other on the fusion-candidate alloy F82H-IEA. These advancements mark a substantial leap in ion-beam technology, offering researchers a robust, high-throughput method to efficiently investigate candidate alloys with high technological readiness for both advanced fission and fusion reactor applications, in a time- and cost-effective manner.

36 - MATERIALS SCIENCE↗

Development of a thermal creep model for aluminum alloy 6061 cladding in U-10Mo monolithic fuel plates

Plate-type fuel elements consisting of a high-density, low-enriched uranium (LEU) U–10Mo-based fuel foil encapsulated in an aluminum alloy (AA) cladding are fabricated using the hot isostatic pressing (HIP) technique. During the HIP process, the fuel plate system is heated to 560 °C, then cooled to room temperature. This heat cycle significantly affects the mechanical properties of the aluminum cladding, and experimental investigations have shown that, post-HIP bonding, the mechanical properties of the aluminum cladding transition from those of AA 6061-T6 to something closer to the O temper. More specifically, the ultimate strength of the cladding decreases while its ductility increases, making it challenging to capture the changes in mechanical behavior and material properties. Understanding the residual stresses generated during the HIP process is critical for assessing the fuel plate’s integrity under various temperature, pressure, and irradiation. To simulate the HIP bonding process, the elastic, plastic, and thermal properties of the cladding are assumed to be similar to those of AA 6061-O temper. However, the primary challenge lies in the lack of available data for the creep model of the AA 6061 cladding during this transient process of HIP. The present study focuses on developing a computational model that predicts the creep behavior of the aluminum cladding in the fuel plates during the HIP process, as cladding creep significantly influences the residual stresses generated in U-10Mo fuel plates during HIP fabrication. Furthermore, as HIP bonding occurs at high temperatures that are nearing the melting point of aluminum, the present work considered a temperature-dependent Arrhenius-type creep model. In particular, a hyperbolic sine creep model is employed to estimate the creep properties of the as-fabricated aluminum cladding. In conclusion, the residual stresses predicted in the U-10Mo fuel when using the newly calibrated creep model closely align with the experimental measurements, validating the model’s accuracy.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The role of excess vacancies in stabilizing solute clusters in low-alloy steels

The formation of solute clusters in irradiated low-alloy steels, such as reactor pressure vessel steels, is a critical cause of radiation hardening and embrittlement. However, the chemical interactions among solute elements and excess vacancies remain to be fully understood. This study employs density functional theory, cluster expansion, and lattice-based Monte Carlo simulations to examine the stability and morphology of nano-size coherent solute clusters with excess vacancies. The findings reveal that excess vacancies are crucial in stabilizing and promoting the growth of Mn-Ni-Si-vacancy clusters. A minimum of seven vacancies is required for stable nucleation and growth of these clusters. These Mn-Ni-Si clusters act as defect sinks, effectively trapping and absorbing mobile vacancies generated under irradiation. Furthermore, phosphorus (P) preferentially dissolves in Mn-Ni-Si clusters due to chemical coupling with vacancies. In conclusion, this study offers new insights into solute-vacancy interactions, enhancing our understanding of solute-defect cluster formation and embrittlement in low-alloy steels.

36 - MATERIALS SCIENCE↗