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At least 1,171 records · Page 65

Accelerating effects of galvanic corrosion and dissimilar materials on the corrosion of 316H in NaCl-MgCl2 salt

Corrosion of materials presents a significant challenge for the long-term operation of molten salt reactors. This study aims to identify the most effective techniques for evaluating the corrosion performance of materials in molten salts, with a focus on the effects of galvanic corrosion and dissimilar materials. A reliable testing methodology for assessing material corrosion in molten chloride salts has been successfully developed. The corrosion of Alloy 316H in molten NaCl-MgCl2 salt was found to be significantly accelerated by galvanic corrosion. Additionally, the presence of dissimilar materials resulted in a slight increase in the corrosion rate of Alloy 316H in NaCl-MgCl2 salt. Microstructural characterization was utilized to understand the corrosion behavior of test samples under different conditions. Common trends observed across samples include chromium depletion and iron enrichment near corroded surfaces. Molybdenum enrichment along grain boundaries and corrosion surfaces was also frequently noted.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Numerical Prediction of Oscillation Behaviors of a Multiphase Core–Shell Droplet During Interfacial Tension Measurement

Interfacial tension between molten high-temperature materials is to be measured using the electrostatic levitation furnace (ELF) and the electromagnetic levitator (ISS-EML) aboard the International Space Station. A levitated compound droplet of a concentric core–shell structure is excited either by an impulsive electromagnetic field or by a superimposed electrostatic field. The oscillation behavior of the compound droplet is analyzed to measure interfacial tension at the interface of the two phases. In support of the space experiments, a computational fluid dynamic model was developed to characterize the oscillation behavior of multiphase core–shell droplet. The developed model predicted the interfacial tension between molten copper-rich and cobalt-rich phases with a difference of 3.3 pct compared to the values reported in literature. The developed model is being utilized to investigate the influence of various test parameters on measured surface tension and also being extended for molten steel–molten slag systems.

36 MATERIALS SCIENCE↗

Characteristics of Nozzle Clogging and Evolution of Oxide Inclusion for Al-Killed Ti-Stabilized 18Cr Stainless Steel

Characteristics of nozzle clogging and evolution of oxide inclusion were studied by sampling the deposits of submerged entry nozzle (SEN) and the molten steel in tundish during Al-killed Ti-stabilized 18Cr stainless steelmaking process. The deposits found in the clogging of SEN were mainly composed of frozen steel and inclusions. The inclusions in the deposits and tundish were both mainly (MgO-Al{sub 2}O{sub 3}){sub rich}-CaO-TiO{sub x}. The compositions of most inclusions were Liquid+Spinel or Liquid+TiSp phase. The (MgO-Al{sub 2}O{sub 3}){sub rich}-CaO inclusions that were not effectively modified by calcium treatment could be a source of clogging. By combining both the experimental results and thermodynamic calculation, (MgO-Al{sub 2}O{sub 3}){sub rich}-TiO{sub x} inclusions (TiSp inclusions) would be formed with the decreasing temperature in steel during continuous casting, which could be transported and accumulated on the inner wall of the SEN. Increasing the calcium content in the molten steel could decrease the formation of TiSp inclusions. During continuous casting, these inclusions accumulated on the inner wall of the SEN and gradually formed porous network of clog. Molten steel would gradually solidify in the porous space of the clog due to the increased residence time of the molten steel when flowing through it. The clogging gradually increased and caused the shutdown of continuous casting.

36 MATERIALS SCIENCE↗

Molecular structure and catalytic promotional effect of Mn on supported Na 2 WO 4 /SiO 2 catalysts for oxidative coupling of methane (OCM) reaction

The structure and promotional effect of Mn in supported Mn-Na 2 WO 4 /SiO 2 catalysts for the oxidative coupling of methane (OCM) reaction has been debated for a longtime in the literature. In the current investigation, with the aid of multiple in-situ characterization studies, we show that the freshly calcined supported 1.2Mn-5Na 2 WO 4 /SiO 2 catalyst possesses crystalline Na 2 WO 4 , Mn 2 O 3 and SiO 2 (cristobalite phase) along with surface MnO x and Na-WO x sites at low temperature and oxidizing environments. Under the OCM reaction environment (T>800°C), the crystalline Na 2 WO 4 phase melts and Mn 2 O 3 phase reduces. In contrast, the surface MnO x and Na-WO x sites exhibit excellent thermal and chemical stability. Exposure of the 1.2Mn-5Na 2 WO 4 /SiO 2 catalyst to the OCM reaction environment redisperses the molten Na 2 WO 4 phase on the SiO 2 support to form new surface WO x sites. Interestingly, the stable MnO x species interacts with both molten Na 2 WO 4 phase and surface Na-WO x sites during OCM reaction. Controlled transient kinetic experiments in TAP and detailed steady state OCM fixed-bed reaction studies reveal the role and promotional effect of Mn in the 1.2Mn-5Na 2 WO 4 /SiO 2 catalyst. The W-oxides (both molten Na 2 WO 4 and surface Na-WO x sites) are the active sites for the catalytic OCM reaction and the MnO x species only function as promoters. The promotion of MnO x strongly depends on the gas phase O 2 partial pressure and the MnO x species act as mediators for oxygen exchange between the gas phase molecular O 2 and catalyst lattice oxygen. In conclusion, the temperature dependent MnO x promotion reveals that the MnO x species selectively promote the molten Na 2 WO 4 phase at lower reaction temperature and the surface Na-WO x sites at higher temperature.

36 MATERIALS SCIENCE↗

Modelling and analysis of salt-convection effect on oxide reduction process for uranium oxides using smoothed particle hydrodynamics

Oxygen ion transport via molten salt continuum is a key kinetic feature of electrochemical reduction process for uranium oxides in molten salt. During the electrolysis, the evolution of oxygen ion concentration field in molten salt continuum appears from porous metallic layer to open bulk salt. Despite the important role affecting process throughput, its effect coupled with controlled salt movement was not adequately investigated. To capture the reactive oxygen ion transport phenomena, a multidimensional reduction model based on smoothed particle hydrodynamics (SPH) was combined with the advection-diffusion model. A pelletized oxide fuel bed capturing interconnected salt continuum is considered as a reactant material geometry, which allows forced convective delivery of molten salt through the reactant materials with a relatively low pressure head. Here, in this study, reduction time of a pelletized-fuel bed was quantified with respect to key design parameters of the reactant material configuration. The simulation results demonstrated the advantage of salt convection which effectively removes oxygen ion products from the reactant materials and consequently accelerates the reduction process. Moreover, the reduction-time correlation of a single pelletized fuel was developed as a function of relevant dimensionless parameters and was extended to the application for a pelletized-fuel bed. Finally, several insights and implications in the use of a pelletized oxide fuel were presented. The developed SPH-based framework enabled multi-physics analysis of governing dynamics in appreciating and screening candidate reactant material configurations in a cost-effective manner.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

X-ray observation of individual Ti-6Al-4V spherical powder particle impact in an in-situ operando laser directed energy deposition system

Understanding the particle capture mechanism in the laser directed energy deposition additive manufacturing process provides a foundation for improving productivity and reducing material loss. Capturing this phenomenon is challenging due to its highly transient time interval. To analyze the impact behavior of spherical Ti-6Al-4V powder, a custom laser directed energy deposition system was designed to control the deposition of individual particles. Synchrotron X-ray imaging at 24 kHz monitored the impact dynamics of individual powder particles. A multi-physics model based on the Smoothed-Particle Hydrodynamics scheme supported the analysis by providing the temperature and velocity fields of the molten pool. Results revealed that in laser directed energy deposition, surface tension forces dominated the powder–molten pool interaction. Hydrophobic Ti-6Al-4V powder particles had an equilibrium contact angle of 121 degrees with their molten state. Furthermore, Ti-6Al-4V powder particles required a high impact velocity (6 to 12 m/s) to transition from oscillation to submergence behavior. Lastly, oscillating powder particles that impacted near the location of the laser beam exhibited faster melting, highlighting the contribution of the laser beam to the melting mechanism. This work lays the foundation for investigations of powder particle impact in laser directed deposition and supports the validation of numerical models of powder–molten pool interactions.

36 MATERIALS SCIENCE↗

Transition between protein-like and polymer-like dynamic behavior: Internal friction in unfolded apomyoglobin depends on denaturing conditions

Equilibrium dynamics of different folding intermediates and denatured states is strongly connected to the exploration of the conformational space on the nanosecond time scale and might have implications in understanding protein folding. For the first time, the same protein system apomyoglobin has been investigated using neutron spin-echo spectroscopy in different states: native-like, partially folded (molten globule) and completely unfolded, following two different unfolding paths: using acid or guanidinium chloride (GdmCl). While the internal dynamics of the native-like state can be understood using normal mode analysis based on high resolution structural information of myoglobin, for the unfolded and even for the molten globule states, models from polymer science are employed. The Zimm model accurately describes the slowly-relaxing, expanded GdmCl-denaturated state, ignoring the individuality of the different aminoacid side chain. The dynamics of the acid unfolded and molten globule state are similar in the framework of the Zimm model with internal friction, where the chains still interact and hinder each other: the first Zimm relaxation time is as large as the internal friction time. Transient formation of secondary structure elements in the acid unfolded and presence of α-helices in the molten globule state lead to internal friction to a similar extent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advancing Tritium Self-Sufficiency in Fusion Power Plants: Insights from the BABY Experiment

Abstract In the pursuit of fusion power, achieving tritium self-sufficiency stands as a pivotal challenge.
Tritium breeding within molten salts is a critical aspect of next-generation fusion reactors, yet experimental measurements of \gls{tbr} have remained elusive.
Here we present the results of the \gls{baby} experiment, which represents a pioneering effort in tritium research by utilizing high-energy (\SI{14}{\mega\electronvolt}) neutron irradiation of molten salts, a departure from conventional low-energy neutron approaches. 
Using a small-scale (\SI{100}{\milli\litre}) molten salt tritium breeding setup, we not only simulated, but also directly measured a \gls{tbr} \textcolor{red}{(\num{3.57e-4})}. 
This innovative approach provides crucial experimental validation, offering insights unattainable through simulation alone.
Moreover, our findings reveal a surprising outcome: tritium was predominantly collected as HT, contrary to the expected TF. 
This underscores the complexity of tritium behavior in molten salts, highlighting the need for further investigation.
This work lays the foundation for a more sophisticated experimental setup, including increasing the volume of the breeder, enhancing neutron detection, and refining tritium collection systems.
Such improvements are crucial for advancing our understanding of fusion reactor feasibility and paving the way for future experiments.

Delaporte-Mathurin, Rémi (ORCID:0000000310648882)↗

Efficient machine learning interatomic potentials robust for liquid and multiple solid polymorphs of NaF and KF

Achieving atomic-level understanding of crystallization of molten salts is of importance to a wide range of technological applications. Recent work [Fan et al., Proc. Natl. Acad. Sci. USA 122, e2425702122 (2025)] revealed that crystal nucleation in molten LiF salt is a multistage process according to the molecular-dynamics (MD) simulations based on an atomic cluster expansion (ACE) machine-learning interatomic potential (MLIP). In order to understand the influence of increasing cation size on nucleation pathways and nucleation rates of molten fluoride salts, here we develop two new ACE MLIPs for NaF and KF. The two ACE MLIPs feature DFT-SCAN-level accuracy for liquid and multiple solid polymorphs over a wide temperature (0–2000 K) and pressure (0–100 GPa) range, and also reproduce well a number of experimental data for solid and liquid equilibrium properties. The efficiency of the two ACE MLIPs enable million-atom-scale or microsecond-scale MD simulations. The two general-purpose ACE MLIPs are expected to be useful for atomistic simulations for different purposes, in addition to studying crystallization of molten NaF and KF salts.

Crystal melting↗

Alkali metal halide–coated perovskite redox catalysts for anaerobic oxidative dehydrogenation of n -butane

Oxidative dehydrogenation (ODH) of n-butane has the potential to efficiently produce butadiene without equilibrium limitation or coke formation. Despite extensive research efforts, single-pass butadiene yields are limited to <23% in conventional catalytic ODH with gaseous O 2 . This article reports molten LiBr as an effective promoter to modify a redox-active perovskite oxide, i.e., La 0.8 Sr 0.2 FeO 3 (LSF), for chemical looping–oxidative dehydrogenation of n-butane (CL-ODHB). Under the working state, the redox catalyst is composed of a molten LiBr layer covering the solid LSF substrate. Characterizations and ab initio molecular dynamics (AIMD) simulations indicate that peroxide species formed on LSF react with molten LiBr to form active atomic Br, which act as reaction intermediates for C–H bond activation. Meanwhile, molten LiBr layer inhibits unselective CO 2 formation, leading to 42.5% butadiene yield. The redox catalyst design strategy can be extended to CL-ODH of other light alkanes such as iso-butane conversion to iso-butylene, providing a generalized approach for olefin production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Moltensaltpropnet

MoltenSaltPropnet is a physics-informed machine learning framework that aims to predict the thermophysical properties of molten fluoride and chloride salt mixtures, which are crucial for the design and safety of Generation IV molten salt reactors. The code processes data from the Molten-Salt Thermal Properties Database (MSTDB-TP) and the Janz compendium, converting critically evaluated correlations into fast, differentiable surrogate models for density, viscosity, thermal conductivity, and heat capacity across 448 distinct salt systems. The implementation consists of several key components: 1. Data Curation: The code parses and cleans the raw data, normalizing elemental mole fractions and extracting relevant regression coefficients for various thermophysical properties. 2. Feature Engineering: It generates fixed-length numerical descriptors that encapsulate the composition and temperature, incorporating polynomial interaction terms and dimensionality-reduction techniques to optimize model performance. 3. Coefficient Learning: Four different machine learning architectures are employed: a deep residual network (ResNet), a Kolmogorov–Arnold network (KAN), a sparsity-inducing neural network (SNN), and classical regression models. Each model learns to predict coefficients that define the temperature-dependent correlations for the thermophysical properties. 4. Property Reconstruction: The predicted coefficients are used to compute temperature-dependent property values, ensuring positivity and monotonic trends through a composite loss function that enforces physical constraints. 5. User Interface: An open-source web application enables users to filter the database, train task-specific models, and visualize the results, allowing for rapid exploration of candidate salt mixtures. MoltenSaltPropnet bridges the gap between limited experimental data and high-fidelity reactor simulations, providing a powerful tool for researchers in the field of molten salt reactors and advanced nuclear energy systems.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

Design rules for 316H nuclear components cladded with nickel or tungsten

The existing Class A metallic materials qualified in the ASME Boiler & Pressure Vessel Code Section III, Division 5 rules for high temperature nuclear reactors are not ideally suited for long term molten salt corrosion resistance in high temperature molten salt reactors. Potentially, corrosion or corrosion driven environmentally assisted cracking could limit the design life of structural components in molten salt reactors. A solution to this limitation is the use of cladded components – overlay the Class A material with a thin layer of some non-qualified, corrosion-resistant material. However, this necessitates the development of design methods for cladded components that do not require long-term testing of clad materials in order to support the near-term deployment of molten salt reactors. This report develops such a methodology along with a complete set of rules presented in a format compatible with an ASME nuclear Code Case. These design rules are for 316H Class A components cladded with either nickel or tungsten. The report also discusses the development of a set of general criteria for selecting clad materials beyond the specific 316H/tungsten and 316H/nickel systems and general acceptance tests for checking the mechanical integrity of the clad/base metal interface. Finally, the report includes a set of fully-documented sample problems detailing the application of the rules to high temperature cladded components

36 MATERIALS SCIENCE↗

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Data Package of Results from Salt Spill Testing

This document provides or identifies the full suite of data that was measured in laboratory salt spill tests on molten salt spreading and heat transfer, molten salt flowing and freezing in tubing, stainless steel corrosion kinetics in molten salt, and molten salt splashing and aerosol generation. The background, motivation, and methods for the work are explained in detail in an accompanying report (Thomas and Jackson, 2021), which includes representative results for all measurements. Quantitative data are tabulated to facilitate use in follow-on calculations and qualitative data in the form of visual and infrared video files are indexed for reference.

36 MATERIALS SCIENCE↗

Computing of Fluidic Forces in Rotating Cylinders with Application to Active Magnetic Bearing Control

Oak Ridge National Laboratory (ORNL) has been engaged to develop molten salt technologies. Molten salts are chemically aggressive liquids that operate at high temperatures. As part of this activity, ORNL designed a molten salt pump for molten salt that has no seals and that operates immersed in the salt. To minimize wear on rotating components, the pump uses active magnetic bearings (AMBs) to support the shaft and rotor. The pump is centrifugal and is oriented horizontally (A. Melin, 2013).

42 ENGINEERING↗

Report on Data Quality Required for Modeling an MSR

Calculations were performed to assess how uncertainties in molten salt property values impact the results of behavior models of molten salt reactor systems under steady-state conditions. The thermophysical and thermochemical properties of salt mixtures being considered for use in molten salt reactors are not yet well characterized and methods used to measure property values to molten salts are not yet well established. The limited property data for salts of interest that are available in the literature are inconsistent and unreliable. Many methods used to measure property values remain developmental in the sense that not all variables affecting measured values have been identified or controlled during the measurement and not all aspects of the measurements affecting data quality are calibrated. A prior report described the repeatability of measurements made at Argonne and the reproducibility of measurements made with the same salts at several institutions is being evaluated. There is significant uncertainty in measured property values due to instrumental limitations and the effects of contaminants in the salts used to make the measurements that impacts predictions of salt behavior in a reactor. Most salts of interest are multicomponent eutectic or near-eutectic mixtures and both uncertainty in the salt composition and uncertainty in measured values. Furthermore, the salt composition evolves over time due to the uptake of impurities from the atmosphere and corrosion of containment vessels. More significantly, fission products will accumulate during operation that change the salt compositions and property values. MSR developers need to understand how this uncertainty in the basic property data of the fuel will impact modeling predictions for normal reactor operation as well was in transient scenarios that will impact the safety basis. The calculations and analyses in this report address the impact of uncertainty in measured property values under steady-state conditions through a generalized parametric study. The pooled uncertainty from contributions by a number of factors were considered and quantified, including varying composition due to impurities and fission products, imprecision in the measured values, and uncontrolled aspects of the measurement. In this way, we can begin to gain an understanding of the magnitude of the impact uncertainty will have in modeling MSR systems.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Electrorefining Bismuth Using AC Superimposed DC Waveforms

Bismuth has been successfully electrorefined using both direct current (DC) and alternating current (AC) superimposed DC waveforms on a kilogram scale at Brigham Young University (BYU) in Provo, Utah. Finding a suitable surrogate for Pu Electrorefining has always been a technical challenge. This work allows the possibility to improve Pu electrorefining with nonradioactive material at universities, which greatly reduces the cost at Lawrence Livermore National Laboratory (LLNL) for improving Pu Electrorefining. Several possible surrogates (Ce, In, Sn, Zn, and Bi) were selected based on their ability to mimic the Pu electrorefining process. Ce and In electrorefining experiments were conducted at the same temperature as Pu electrorefining in CaCl 2 while Sn, Zn, and Bi, electrorefining experiments were conducted at a lower temperature in a eutectic molten salt composed of LiCl, KCl, and CaCl 2 . The electrorefining experiments using Ce with a Ga impurity did not produce a cathode ring. While the remaining Ce anode after electrorefining was significantly less than what was initially added, Scanning Electron Microscopy with Energy Dispersive X-Ray (SEM-EDX) analysis showed that the Ce had been oxidized and formed a colloid with the surrounding molten salt. This is supported in the literature by analysis of Ce-rich CaCl 2 mixtures. All the electrorefining experiments except for the Ce electrorefining experiments did not introduce an impurity to the system. Electrorefining experiments with In showed that the InCl 3 volatilized out of the molten salt to an extent that only a low current (<<1 A) could be supported without decomposing the molten salt. Zn electrorefining experiments had marginal success, however an easily separable product was not formed. The Zn had to be rinsed from the salt after the experiment. Of the identified potential surrogates. Investigated, only Bi and Sn yielded an easily separable product ring, which enables quantitative analysis of yields and coulombic efficiencies. Bismuth was first identified as a surrogate at BYU, while Sn was identified as a surrogate at LLNL later. Thus, the electrorefining experiments conducted at BYU using AC superimposed DC waveforms used Bi as the metal to be electrorefined.

36 MATERIALS SCIENCE↗

Measuring the Dissolution of Cr and Fe at 550°-750°C in FLiNaK and FLiBe

Assessing the compatibility of 316H stainless steel with molten fluoride salts has been identified as a key research topic for molten salt reactor development. Current developers are interested in 316H stainless steel due to its ready availability and ASME code qualification. Previous studies of 316H stainless steel compatibility in molten fluoride salts have shown general agreement that Cr is selectively removed from the alloy during the exposures in molten salts. However, the extent of Cr dissolution depends on the initial purity of the salt and Fe also readily dissolves in the salt. In order to model dissolution, it is necessary to understand how time and temperature affect the dissolution rates of the alloying elements which may lead to saturation of these elements in the salt. To study the dissolution of 316H, Cr and Fe specimens were exposed in FLiNaK and LiFBeF2 (FLiBe) salt at three different temperatures (550°-750°C) and three different durations (100-2000 h) in isothermal capsule experiments.

36 MATERIALS SCIENCE↗