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DOE OSTI2025

Computational Modeling of Graphite Degradation due to Molten Salt Infiltration and Wear

Molten-salt reactors (MSRs) represent a promising next-generation reactor design, with graphite serving as a moderator and/or reflector in several designs. However, due to limited experimental data and operational experience, a technical understanding of the structural integrity of graphite in molten salt environments remains incomplete. This report presents a modeling-based evaluation of graphite degradation in MSR environments, focusing on the effects of salt infiltration in fuel salt-based designs and surface wear in pebble bed reactor designs. The objective of this study is to enhance understanding of the structural integrity challenges posed by these degradation mechanisms and to provide a framework for assessing graphite behavior in MSRs. The first part of the report investigates the phenomenon of molten salt infiltration into graphite. This infiltration occurs when molten salt permeates the interconnected pore structure of the graphite moderator, driven by factors such as pressure differentials and the physical properties of both the salt and graphite. The infiltration process is influenced by characteristics of the pore structure, viscosity of the molten salt, and the interfacial energies between the graphite, salt, and the atmosphere within the graphite pore. Utilizing a coupled multiphysics modeling approach with Grizzly software, the study evaluates the stress induced by internal heat sources due to infiltration, which can lead to structural concerns. This evaluation is crucial for understanding how infiltration affects the mechanical integrity of graphite components in MSRs. The study considers the Molten-Salt Reactor Experiment (MSRE) graphite stringer geometry due to the availability of relevant data. Through detailed finite element analysis, the study examines stress distributions at varying infiltration percentages, revealing that stress levels increase with higher amounts of infiltration. Rare-event simulations, using the parallel subset simulation (PSS) framework, further quantify the failure probabilities under input uncertainties, with a user-specified failure metric. The PSS framework also identifies critical input parameters that significantly affect the stress values, including infiltration amount, thermal conductivity, and power density. Additionally, considering realistic reactor scenarios, the analysis was performed to account for the combined effects of radiation and infiltration, and modeling strategies on how to analyze new reactor designs or new graphite grades are discussed. The second part of the report focuses on wear mechanisms in pebble bed-based MSRs. As graphite fuel pebbles interact with the graphite reflector block, wear can result in material loss and the formation of surface defects, which may act as stress concentrators. A similar multiphysics modeling framework is employed to assess the impact of wear on the structural integrity of graphite components. This study considers a generic fluoride-cooled high-temperature reactor (gFHR) design due to the availability of comprehensive data. Worst-case scenario dimensions of the reflector blocks were analyzed under thermal and radiation conditions. Subsequently, wear in the form of idealized pits and grooves is modeled on the inner surface of the graphite block, with the maximum stress from previous simulations. The simulations show that groove-type defects are more detrimental than pits, leading to higher stress concentrations. Considering worst-case simulation scenarios and experimental wear rates, it was determined that the formation of a surface defect critical enough to affect the stress may not be possible in a gFHR design. Overall, the findings of this research contribute to the development of robust modeling tools for predicting graphite behavior under various operational conditions in MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Time-dependent THMC properties and microstructural evolution of damaged rocks in excavation damage zone

Modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in host rocks near high-level nuclear waste (HLW) repositories at various time scales is an extremely challenging task. The current study integrates experimental, theoretical, and numerical methods in assessing the evolution of excavation damage zone (EDZ) over time and its implication on the long-term migration of hazardous species. Argillite and rock salt and are the focus of this study. The first part of the report presents a novel time-dependent directional microcrack damage theory for generic brittle rocks. It features detailed statistical description of the microcracks within a damaged solid, permitting a direct upscaling of microscale processes such as crack growth kinetics, crack closure/opening, sliding friction to explain the macroscopic creep, nonlinear elasticity, shear dilation, and loading-unloading hysteresis. This provides a basic platform for describing the anisotropic mechanical and transport properties of damaged rocks during excavation and subsequent THMC loadings. The model is validated and numerically implemented to Finite Element (FE) package ABAQUS through the user-defined material (UMAT) interface and have demonstrated great potential in resolving the time-dependent and anisotropic evolution of damage in the EDZ. The second part of the report presents a multi-scale experimental effort in characterizing the thermal, hydraulic, and mechanical properties of Mancos shale and Avery Island salt. For the Mancos shale, triaxial compression tests are performed at different confining pressures and temperatures to probe its thermomechanical properties relevant to HLW repositories. The obtained stress-strain data are interpreted using the proposed directional damage theory. Post-test specimens are subjected to gas permeability tests to reveal the correlation between permeability and the degree of microcracking. At microscale, temperature-controlled nanoindentation tests are performed and found a linear correlation between fracture toughness and elastic modulus from 25°C to 300°C. For Avery Island salt, we have designed and manufactured a novel relative-humidity controlled uniaxial creep device. Long-term creep tests at low stresses (< 5 MPa) are performed at different levels of relative humidity (RH). Besides confirming the much higher creep rates as one would expect through extrapolating the high-stress creep data, the results reveal that the steady-state creep rate of rock salt is strongly dependent on the ambient RH, an aspect that is often neglected in the literature. Both behaviors can be attributed to the pressure-solution creep mechanism which dominates at low stress and high RH levels. The third part of the report explores a set of numerical strategies in modeling the THMC behavior of porous geomaterials. A fully implicit, monolithic FE solution that can flexibly interface with different material models and coupling mechanisms for THMC problems is developed and verified through the ABAQUS user-defined element (UEL) interface. The scheme is used to study the THM response of a hypothetical HLW storage site with reference to an existing in-situ heater test. Strategies for integrating the UEL and the microcrack UMAT are suggested. Another numerical endeavor of this study is to implement a higher-order asymptotic homogenization method to account for the heterogeneous porous structures. The same method is then extended to perform microstructure-informed thermo-mechanical modeling of generalized continua. The above outcomes of this project provide a strong thrust towards enhancing the fundamental understanding and modeling capability of the long-term evolution of host rocks in EDZ, thus helping achieve the design goal of 1-million-year isolation of high-level nuclear wastes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Permanent Stress Adaptation and Unexpected High Light Tolerance in the Shade-Adapted Chlamydomonas priscui

The Antarctic photopsychrophile, Chlamydomonas priscui UWO241, is adapted to extreme environmental conditions, including permanent low temperatures, high salt, and shade. During long-term exposure to this extreme habitat, UWO241 appears to have lost several short-term mechanisms in favor of constitutive protection against environmental stress. This study investigated the physiological and growth responses of UWO241 to high-light conditions, evaluating the impacts of long-term acclimation to high light, low temperature, and high salinity on its ability to manage short-term photoinhibition. We found that UWO241 significantly increased its growth rate and photosynthetic activity at growth irradiances far exceeding native light conditions. Furthermore, UWO241 exhibited robust protection against short-term photoinhibition, particularly in photosystem I. Lastly, pre-acclimation to high light or low temperatures, but not high salinity, enhanced photoinhibition tolerance. These findings extend our understanding of stress tolerance in extremophilic algae. In the past 2 decades, climate change-related increasing glacial stream flow has perturbed long-term stable conditions, which has been associated with lake level rise, the thinning of ice covers, and the expansion of ice-free perimeters, leading to perturbations in light and salinity conditions. Our findings have implications for phytoplankton survival and the response to change scenarios in the light-limited environment of Antarctic ice-covered lakes.

Plant Sciences↗

DOE OSTI2025

Initial Design of SABRE Fueled Molten Salt Experiment Irradiation Vehicle

Molten Salt Reactors (MSRs) are emerging as promising advanced reactor technologies, utilizing molten salts for both fuel and primary cooling. These reactors may offer advantages such as passive safety, enhanced economic viability, and efficient waste reprocessing while operating at high temperatures and low pressures, which leads to increased system efficiency and reduced mechanical stress on containment structures. However, challenges arise from the complex chemistry and high corrosion rates of fueled molten salts, alongside the volatility of certain fission products during irradiation. The accumulation of these fission products can alter the fuel salt chemistry, affecting corrosion potential and radioactive source terms. Therefore, understanding these phenomena under neutron irradiation is essential for future MSR designs. The SABRE (Salt and Actinide Burnup in a Reactor Environment) experiment, currently in conceptual design at Idaho National Laboratory (INL), aims to investigate these challenges by conducting a drop-in capsule experiment in the Advanced Test Reactor (ATR). The primary objectives include achieving a minimum burnup of 2 GWd/MTU and characterizing fission products while studying corrosion behavior in molten salt systems. This innovative experiment will leverage recent advancements in ATR capabilities, allowing for the safe irradiation of molten salts, thereby advancing the understanding and qualification of MSR technology for future nuclear power generation.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Addressing Failures in Molten Salt Thermal Energy Storage Tank for Central Receiver Concentrating Solar Power Plants

The thermal energy storage (TES) system is a critical component in concentrated solar power (CSP) plants that increases the plant's capacity factor and economic competitiveness by reducing the levelized cost of energy (LCOE) while simultaneously increasing the value of the delivered energy. Failures including molten-salt leaks and diverse localized cracking after several months to a few years of operation have been reported in hot tanks for CSP plants operating around the world. A model of a molten salt thermal energy storage tank was developed and validated to analyze the impact of different tank design features on the temperature and stress distributions as a function of typical plant operation conditions. Design features included the floor plate thicknesses, friction coefficients between the tank floor and the foundation, and the sparger ring location. Maximum stresses in the tank floor frequently surpassed the yield point of the material during operation, leading to a detriment of the tank's lifetime. Recommendations on design features to improve the reliability of new molten salt tanks for CSP plants are provided.

concentrating solar power↗

DOE OSTI2026

Analysis of Molten Salt Thermal Energy Storage Tank Sizing and Preheating

Molten Salt Thermal energy storage (TES) is essential for concentrating solar power (CSP) plants, enhancing their capacity factor and dispatchability to ultimately reduce electricity costs. This technology is becoming more important for other technologies including nuclear power, thermal-electrical storage, and concentrating solar thermal (CST). While molten salt TES tanks have been successfully deployed in lower-temperature parabolic-trough plants, the current state-of-the-art central receiver systems operating at temperatures up to 565 degrees Celsius have experienced costly and frequent failures. These failures are associated with the immaturity of the technology and problems in tank design, fabrication, commissioning and, sometimes, aggressive operation. A primary contributing factor is the absence of a dedicated technical standard for high-temperature molten nitrate TES tanks; designers must currently rely on existing codes like API 650 and ASME Section II, which are insufficient because they fail to account for the unique demands of high temperatures, thermal cycling, and transient conditions.

25 ENERGY STORAGE↗

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 OSTI2023

Compaction of crushed salt for safe containment – a summary of the KOMPASS projects

Abstract. For the underground disposal of high-level nuclear waste in rock salt formations, the safety concept includes the backfilling of open cavities with crushed salt. For the prognosis of the sealing function of the backfill for the safe containment of the radioactive waste, it is crucial to have a comprehensive process understanding of the crushed-salt compaction behavior. The crushed-salt compaction process is influenced by internal properties (e.g., grain size, mineralogy, and moisture content) and boundary conditions (e.g., temperature, stress state, and compaction rate) and, therefore, involves several coupled thermal–hydro–mechanical (THM) processes (Hansen et al., 2014; Kröhn et al., 2017). With the paradigm shift from the limited release of radionuclides to safe containment due to the German Repository Site Selection Act passed in 2017, the importance of crushed salt as geotechnical barrier has increased, with a focus on the evolution of its hydraulic properties. Based on the knowledge gaps in the current process understanding, the “Compaction of crushed salt for safe containment” (KOMPASS) projects were initiated to improve the scientific basis behind using crushed salt for the long-term isolation of high-level nuclear waste within rock salt repositories. The efforts to improve the prediction of crushed-salt compaction begun during the first phase of the KOMPASS projects (Czaikowski et al., 2020) and were followed up in a second phase ending in June 2023. The primary achievements of the projects are as follows (Czaikowski et al., 2020; Friedenberg et al., 2022): specification of the KOMPASS reference material, an easily available and reproducible synthetic crushed-salt material, for generic investigations; development of pre-compaction methods and successful production of samples in the short term and under in situ loading conditions; formulation of an extended laboratory program addressing the isolated investigation of known relevant factors influencing the compaction behavior of crushed salt (Düsterloh et al., 2022); execution of long-term compaction tests addressing isotropic and deviatoric load changes, temperature, and compaction state; construction of a backfill body using the KOMPASS reference material in the Sondershausen mine through collaboration with the SAVER (Entwicklung eines salzgrusbasierten Versatzkonzepts unter der Option Rückholbarkeit) project (Schaarschmidt and Friedenberg, 2022); advancement of the tools for microstructure investigation methods (Svensson and Laurich, 2022); generation (first stages) of a microphysical process list combining literature research with our own findings; benchmarking of long-term compaction test for model development and optimization of various existing models as well as the development of new models; application of a virtual demonstrator (2D model representing a backfilled drift in rock salt) for the visualization of developments and the quantification of the models (Rabbel, 2022). In summary, the KOMPASS projects contributed to the reduction of uncertainties and the strengthening of the safety case for using crushed salt within rock salt repositories.

Friedenberg, Larissa↗

DOE OSTI2021

Mechanically robust hydrophobized double network hydrogels and their fundamental salt transport properties

Abstract Water swollen polymer networks are attractive for applications ranging from tissue regeneration to water purification. For water purification, charged polymers provide excellent ion separation properties. However, many ion exchange membranes (IEMs) are brittle, necessitating the use of thick support materials that ultimately decrease throughput. To this end, novel double network hydrogels (DNHs) with variable water content are prepared and characterized in terms of mechanical and ion transport properties to evaluate their potential utility as tough membrane materials. The first network contains fixed anionic charges, while the other is comprised of a copolymer with varied ratios of hydrophobic ethyl acrylate (EA) and hydrophilic dimethyl acrylamide (DMA) repeat units. Characterization of freestanding DNH films reveals a reduction in water content from 88 to 53 wt% and a simultaneous increase in ultimate stress and strain by ~3.5× and ~4.5×, respectively, for 95%/5% EA/DMA, relative to 100% DMA. Fundamental salt transport properties relevant to water purification, including permeability, solubility, and diffusivity, are measured and systematically compared with conventional membrane materials to inform the development of DNHs for membrane applications. The ability to simultaneously reduce water content and increase mechanical integrity highlights the potential of DNHs as a synthetic platform for future membrane applications.

Allen, Marshall J.↗

DOE OSTI2021

Surface Sampling Techniques for the Canister Deposition Field Demonstration

This report describes plans for dust sampling and analysis for the multi-year Canister Deposition Field Demonstration. The demonstration will use three commercial 32PTH2 NUHOMS welded stainless steel storage canisters, which will be stored at an ISFSI site in Advanced Horizontal Storage Modules. One canister will be unheated; the other two will have heaters to achieve canister surface temperatures that match, to the degree possible, spent nuclear fuel (SNF) loaded canisters with heat loads of 10 kW and 40 kW. Surface sampling campaigns will take place on a yearly or bi-yearly basis. The goal of the planned dust sampling and analysis is to determine important environmental parameters that impact the potential occurrence of stress corrosion cracking on SNF dry storage canisters. Specifically, the size, morphology, and composition of the deposited dust and salt particles will be quantified, as well as the soluble salt load per unit area and the rate of deposition, as a function of canister surface temperature, location, time, and orientation. Sampling locations on the canister surface will nominally include 25 locations, corresponding to 5 circumferential locations at each of the 5 longitudinal locations. At each sampling location, a 2x2 sampling grid (containing 4 sample cells) will be painted onto the metal surface. During each sampling campaign, two samples at each sampling location will be collected, in a specific routine to measure both periodic (yearly or bi-yearly) and cumulative deposition rates. For each sample, a wet and a dry sample will be collected. Wet samples will be analyzed to determine the composition of the soluble salt fraction and to estimate salt loading per unit area. Dry samples will be analyzed to assess particle size, morphology, mineralogy, and identity (e.g. for floral/faunal fragments). The data generated by this proposed sampling plan will provide detailed information on dust and salt aerosol deposits on spent nuclear fuel canister surfaces. The anticipated results include information regarding particle compositions, size distributions, and morphologies, in addition to particle deposition rates as a function of canister surface location, orientation, time, and temperature. The information gathered during the Canister Deposition Field Demonstration is critical for ongoing efforts to develop a detailed understanding of the potential for stress corrosion cracking on SNF dry storage canisters

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Development and testing of a solar flux heating freeze recovery system for molten salt parabolic troughs

A major obstacle preventing commercialization of molten salt parabolic trough plants is freeze protection and recovery of the solar field. One of the most common nitrate salt compositions under consideration allows for solar field outlet temperatures up to 565°C and begins solidifying above 240°C. Using molten salt directly in the solar field can significantly reduce thermal energy storage costs and the higher temperature compared to oil heat transfer fluids can power a more efficient power cycle, but the very high freezing point is cause for concern. This work builds on a previous modeling effort investigating different methods for melting Solar Salt frozen in the solar field, which suggested the viability of a novel solar heating method to lower costs of the freeze protection system. In this work higher fidelity models are developed to better investigate the melting process with a more detailed 3D geometry which includes the insulated bellows. The thermal-fluid model of the melting process is updated to include temperature dependent density and data for solid phase properties. In addition, a finite element model is developed to resolve thermal stresses at the point with highest thermal gradients. Results with the new model confirm the viability of using controllable solar flux heating to thaw salt frozen in the solar field without damaging the receiver; however, the presence of non-illuminated sections significantly slows down the melting process. Solar heating simulations with pauses off-sun of 120 and 60 s require 18.5 and 11.9 h to melt salt from a night-time temperature of 10°C with 1000 W m2 DNI, which results in maximum thermal stresses of 48.2 and 53.5 MPa, respectively. Adding 150 W m−1 to the solar heating simulation with a 60 s pause off-sun decreases both the melt time and thermal stresses due to the more uniform heating, suggesting a combined heating method may be the best option.

14 SOLAR ENERGY↗

DOE OSTI2025

The molten salt tritium transport experiment: A pumped fluoride salt loop for hydrogen isotope experimentation

Molten salt reactors (MSRs) and fusion reactors propose to use molten salts as coolants and breeder blanket materials, respectively. Tritium, however, poses safety concerns in both reactor types due to its ability to permeate through reactor materials and potential for environmental release. This manuscript addresses the tritium transport phenomena in molten salts and presents the design and analysis of the Molten Salt Tritium Transport Experiment (MSTTE). MSTTE is a forced-convection fluoride salt loop intended to measure hydrogen isotope permeation through structural materials in a flowing salt system. In the first phase, MSTTE will use FLiNaK salt and deuterium as surrogates for FLiBe and tritium, with future plans to utilize tritium and FLiBe. MSTTE couples a Copenhagen Atomics pumped salt loop with an external test section that introduces hydrogen isotopes into the loop and measures transport phenomena. The Hydrogen Injection System (HIS) controls hydrogen isotope introduction into the molten salt loop. Here, the permeation test section measures the permeation rate through stainless steel tubing in contact with flowing salt. Computational fluid dynamics (CFD) analysis ensures fully developed salt flow in the permeation test section. MSTTE is modeled with MELCOR-TMAP to predict the permeation rate as a function of experimental variables such as source term, salt flow rate, and salt temperature. Results indicate that the source term is the only parameter with a significant effect on the permeation rate. Pressure drop analysis suggests that the loop should operate below 200 LPM to maintain a pressure drop below 200 kPa. Additionally, finite-element analysis assesses thermal stress during loop operation to ensure the experiment's safe design. MSTTE will provide semi-integral data on tritium transport phenomena in molten salts and serve as a testbed for advancing molten salt technology.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

FY23 Update: Aerosol Sampling for the Canister Deposition Field Demonstration

This report describes the results of preliminary testing of aerosol monitoring equipment that will be used to continuously monitor the aerosol source term for the multi-year Canister Deposition Field Demonstration (CDFD). These data are required inputs for the development and validation of models for the deposition of dust and potentially corrosive salts on the surface of spent nuclear fuel (SNF) dry storage canisters. Surface salt loads correlate with the extent of corrosion damage on a metal surface, and potentially to the likelihood and timing of initiation of stress corrosion cracks. Aerosols will be monitored at the CDFD site using three instruments. A Dekati ® ELPI+ cascade impactor will be used for real-time monitoring of aerosol particle sizes. It will also collect dust in 14 size bins on impactor targets that can be chemically analyzed to determine the soluble salts present as a function of particle size. However, this instrument can only measure dried aerosols, with a diameter of <10 µm. The second instrument is a Topas laser particle size spectrometer, which provides real-time monitoring of aerosol particle sizes up to ~40 µm in size. It monitors both the ambient (potentially deliquesced) aerosol particle size distributions required for the dust deposition models and the distributions of the equivalent dried particles, allowing correlation with the Dekati ® data. However, it does not discriminate between inert dust particles and salt aerosols, and it does not retain samples of the different particle sizes for later analysis. The third instrument that will monitor aerosols at the CDFD site is a Clean Air Status and Trends Network (CASTNET) tower, which uses a multiple canister system to collect weekly samples for analysis to total suspended aerosol particle compositions and atmospheric gas concentrations. This status report describes work in FY23 to develop the capabilities for using these tools. In two training exercises, the cascade impactor and laser particle sizer were deployed in two different testing environments, one indoor and one outdoor. For the cascade impactor, the tests provided opportunities for the operators to familiarize themselves with impactor substrate preparation, and post-test sample removal and analysis. For the laser particle sizer, the tests were used to evaluate different instrument parameters, to determine the most appropriate settings for capturing transient events. Data and samples were collected for weeks to months for each test, and the results are presented here. In addition to the preliminary testing, contracts were developed with WSP Analytical Labs for sample preparation and analysis of the cascade impactor samples. The impactor tower from outdoor test was delivered to WSP and used to train the staff there in disassembly, sample extraction, sample analysis, and tower reassembly with new target substrates. These are tasks that WSP will be performing routinely for the CDFD project. The CASTNET system cannot be purchased or tested until an actual site has been selected for the CDFD test. Work for this FY has been restricted to preparation of contracts for purchasing the CASTNET tower, and for sample analysis, once the tower is in operation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

In-Use Interfacial Stability of Monoclonal Antibody Formulations Diluted in Saline i.v. Bags

The use of monoclonal antibodies (mAbs) for the treatment of a variety of diseases is rapidly growing each year. Many mAbs are administered intravenously using i.v. bags containing 0.9% NaCl (normal saline). We studied the aggregation propensity of these antibody solutions in saline and compared it with a low ionic strength formulation buffer. Furthermore, the mAb studied in this work is prone to aggregate, and is known to form a viscoelastic network at the air-solution interface. We observed that this interfacial elasticity increased when formulated in saline. In the bulk, the mAbs exhibited a tendency to self-associate that was higher in saline. We also studied the aggregation of the mAbs in the presence of polysorbate-20, typically added to formulations to mitigate interfacial aggregation. We observed that with surfactants, the presence of salt in the buffer led to a greater mAb adsorption at the interface and resulted in the formation of more particulate aggregates. Our results show that the addition of salt to the buffer led to differences in the interfacial aggregation in mAb formulations, showing that stress studies used to screen for mAb aggregation intended for i.v. administration should be performed in conditions representative of their intended route of administration.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Structural Polymorphism of Chitin and Chitosan in Fungal Cell Walls From Solid-State NMR and Principal Component Analysis

Chitin is a major carbohydrate component of the fungal cell wall and a promising target for novel antifungal agents. However, it is technically challenging to characterize the structure of this polymer in native cell walls. Here, we recorded and compared 13 C chemical shifts of chitin using isotopically enriched cells of six Aspergillus, Rhizopus, and Candida strains, with data interpretation assisted by principal component analysis (PCA) and linear discriminant analysis (LDA) methods. The structure of chitin is found to be intrinsically heterogeneous, with peak multiplicity detected in each sample and distinct fingerprints observed across fungal species. Fungal chitin exhibits partial similarity to the model structures of α- and γ-allomorphs; therefore, chitin structure is not significantly affected by interactions with other cell wall components. Addition of antifungal drugs and salts did not significantly perturb the chemical shifts, revealing the structural resistance of chitin to external stress. In addition, the structure of the deacetylated form, chitosan, was found to resemble a relaxed two-fold helix conformation. This study provides high-resolution information on the structure of chitin and chitosan in their cellular contexts. The method is applicable to the analysis of other complex carbohydrates and polymer composites.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Precise Synthesis of 4.75 V-Tolerant LiCoO 2 with Homogeneous Delithiation and Reduced Internal Strain

The rapid advancements in 3C electronic devices necessitate an increase in the charge cutoff voltage of LiCoO 2 to unlock a higher energy density that surpasses the currently available levels. However, the structural devastation and electrochemical decay of LiCoO 2 are significantly exacerbated, particularly at ≥4.5 V, due to the stress concentration caused by more severe lattice expansion and shrinkage, coupled with heterogeneous Li + intercalation/deintercalation reactions. Herein, employing the molten-salt synthesis technique, we propose a universal morphology-shaping strategy to attain bulk reaction homogeneity and reduce internal strains, even at extremely high charge voltages. The newly designed flattened polygon prismlike LiCoO 2 (P-LCO) particle, featuring a regular symmetrical arrangement along the c-axis, demonstrates a more homogeneous Li + extraction/insertion reaction, which results in a restrained transformation to detrimental O1 phase and reduced variation in lattice volume throughout the (de)lithiation processes. This benefits the mitigation of the local stress accumulation misfit dislocations and particle cracking, ultimately maintaining the mechanical stability of the cathode. Consequently, P-LCO is capable of breaking the voltage ceiling and exhibits exceptional long-term cycling capability at an ultrahigh voltage of 4.75 V. In conclusion, this work offers a brand-new perspective for the rational design of cathode morphology to address capacity deterioration caused by inhomogeneous delithiation and internal strain, thus inspiring the development of high-energy-density cathodes with improved durability.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Development of Surface Sampling Techniques for the Canister Deposition Field Demonstration (FY22 Update)

This report describes the proposed surface sampling techniques and plan for the multi-year Canister Deposition Field Demonstration (CDFD). The CDFD is primarily a dust deposition test that will use three commercial 32PTH2 NUHOMS welded stainless steel storage canisters in Advanced Horizontal Storage Modules, with planned exposure testing for up to 10 years at an operating ISFSI site. One canister will be left at ambient condition, unheated; the other two will have heaters to achieve canister surface temperatures that match, to the degree possible, spent nuclear fuel (SNF) loaded canisters with heat loads of 10 kW and 40 kW. Surface sampling campaigns for dust analysis will take place on a yearly or bi-yearly basis. The goal of the planned dust sampling and analysis is to determine important environmental parameters that impact the potential occurrence of stress corrosion cracking on SNF dry storage canisters. Specifically, measured dust deposition rates and deposited particle sizes will improve parameterization of dust deposition models employed to predict the potential occurrence and timing of stress corrosion cracks on the stainless steel SNF canisters. The size, morphology, and composition of the deposited dust and salt particles will be quantified, as well as the soluble salt load per unit area and the rate of deposition, as a function of canister surface temperature, location, time, and orientation. Previously, a preliminary sampling plan was developed, identifying possible sampling locations on the canister surfaces and sampling intervals; possible sampling methods were also described. Further development of the sampling plan has commenced through three different tasks. First, canister surface roughness, a potentially important parameter for air flow and dust deposition, was characterized at several locations on one of the test canisters. Second, corrosion testing to evaluate the potential lifetime and aging of thermocouple wires, spot welds, and attachments was initiated. Third, hand sampling protocols were developed, and initial testing was carried out. The results of those efforts are presented in this report. The information obtained from the CDFD will be critical for ongoing efforts to develop a detailed understanding of the potential for stress corrosion cracking of SNF dry storage canisters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

New High-Strength Ni-based Alloys for High Temperature Service in Liquid Fluoride Salt Environments

The ever-increasing demand for higher system thermal efficiency necessitates the operation of power generation cycles and heat conversion systems for chemical processes at progressively higher temperatures. As the system operating temperature increases, fewer and fewer materials are available with the required mechanical properties and environmental compatibility. This dearth of materials is particularly acute in structural applications at temperatures above 700°C in liquid Fluoride Salt Cooled High-Temperature Reactors (FHRs) and Concentrated Solar Power (CSP) systems where liquid fluoride and/or liquid chloride salts are used for their high thermal capacity and low thermal conductivity to store and transport heat. It has been shown that fluorides and chlorides can degrade the properties of the material used for storage and transport due to corrosive effects thus affecting the performance and lifetime characteristics. Thus, materials used for storage and transport for fluoride/chloride-salt must at the minimum have good compatibility with the salt by exhibiting low corrosion rates at the required temperatures. In addition, since many of the components will be subject to stresses in service, they need to have sufficient strength to resist plastic deformation, and the resistance to time dependent creep deformation at these temperatures, and stress levels. Achieving the combination of these properties required for higher temperatures is particularly challenging considering traditionally, the expected lifetime of some of the components used in these systems are from 30 years (CSP) to 80 years (FHRs). Although 316 stainless steel and associated redox corrosion reduction techniques are being considered for use in the first generational systems, use of 316SS is limited to operating temperatures up to ~ 650°C, thereby resulting in lower reactor efficiencies. Hastelloy ® N, developed at ORNL in the 1950s-60s for molten salt service is currently the leading candidate FHR structural alloy but has inadequate creep properties at high temperatures. Using a computationally-guided approach, Oak Ridge National Laboratory had developed new high strength alloys strengthened by γ’ precipitates (about 2X the strength of Hastelloy ® N) in small laboratory-scale heats that show good resistance to corrosion by fluorides and improved creep rupture life at temperatures up to 850°C (U.S. Patent Application No. 13/833,357 entitled “High Strength Alloys for High Temperature Service in Liquid-Salt Cooled Energy Systems”- granted U. S. Patent No. 9,540,714).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗