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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Analysis of thermal and mechanical properties with inventory level of the molten salt storage tank in central receiver concentrating solar power plants

Molten salt thermal energy storage (TES) tanks ensure steady power output of concentrating solar power (CSP) plants; however, recent tank failures have highlighted the need for further analysis. Current studies primarily focus on analyzing the molten salt flow, heat transfer, and thermal efficiency. Additionally, research on the latest tank structures is limited and lacks newest experimental validation. This study measures temperature and molten salt inventory levels in the high-temperature tank at a 50 MW central receiver CSP plant, connected to the power grid in 2019. A multi-physics model was developed to evaluate thermal and mechanical properties of TES tanks by combining computational fluid dynamics and finite element modeling using real plant data. Heat loss, temperature, displacement, and stress distribution of the tank at different inventory levels were investigated. Results show that ambient air velocity near the tank roof reaches 2.14 m/s, much higher than 0.2 m/s near the wall. The temperatures of inventory fluid and tank are close, varying slightly at different levels due to thermal conduction and radiation. Because the heat loss strongly depends on temperature, the total tank loss remains nearly constant across inventory levels. Larger temperature gradients and thermal stresses are primarily localized along the tank floor edge and the air-salt interface. Notably, the maximum thermal stress at the tank edge is three times higher than that at the interface. The magnitude of total stress changes by less than 5 MPa with and without thermal load, indicating that high temperatures exert only a minor impact on tank stress. In contrast, thermal load significantly affects tank deformation, particularly at the roof edge, where values exceed 150 mm. Despite the large variation in molten salt levels, tank wall temperatures and displacements present a minor change, suggesting a weak correlation with inventory levels. In conclusion, the findings obtained in this study provide important insights on the TES tank that could be used to optimize tank design and operation strategies.

14 SOLAR ENERGY↗
DOE OSTI2020

Kinetic study of hydrogen transport in graphite under molten fluoride salt environment

Here, in this work, a kinetic model, which describes the reactions occurring during the hydrogen charging process on a graphite surface, was optimized on Electrochemical Impedance Spectroscopic (EIS) to study the entry of hydrogen into graphite in high temperature molten FLiNaK salt. The results show that the rate constants of k 1 increases with decreasing applied potential (becoming more negative), and k 2 and k 3 are independent of the applied potential. At the same charging potential, all the three rate constants are independent of the water concentration in the FLiNaK salt. The surface coverage of absorbed hydrogen increases with decreasing the charging potential and increasing the moisture content in the salt. The adsorption efficiency of hydrogen increases with increasingly charging potential and decreases with increasing moisture content of the FLiNaK salt. These results demonstrate that EIS is a promising technique for measuring the kinetic parameters for hydrogen transport in graphite under molten fluoride salt environment.

EIS↗
DOE OSTI2024

Computing the solubility of argon and xenon in molten sodium chloride and potassium chloride salts

Molten salt reactors (MSRs) offer significant advancements in nuclear reactor safety and efficiency by operating at higher temperatures and lower pressures compared to traditional reactors. A critical aspect of MSR operation involves understanding the solubility of fission byproducts, particularly noble gases, in the molten salts used. This study employs molecular dynamics (MD) simulations to compute Henry’s law constants and enthalpies of solvation for argon and xenon in molten sodium chloride (NaCl) and potassium chloride (KCl). We developed a new pairwise potential for the noble gas and salt interactions based on first principles calculations. We then used this potential to calculate Henry’s law constants of the two gases in the molten salts, which were modeled using both a rigid ion model (RIM) and a polarizable ion model (PIM). The solubility calculations, performed using the Widom insertion method, show qualitative agreement with limited experimental data, highlighting the temperature dependence and greater solubility of both gases in KCl compared to NaCl. Additionally, free volume analysis elucidated the role of available space within the molten salts in governing solubility trends. Our findings suggest that PIM trajectories provide more reliable predictions for noble gas solubility than RIM due to their accurate density representation. Furthermore, these results enhance understanding of gas solubility in MSR environments, and the methods can be readily extended to other systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Pressure drop and heat transfer characteristics of nitrate salt and supercritical CO 2 in a diffusion-bonded heat exchanger

A lab-scale 316/L stainless steel diffusion-bonded heat exchanger was examined within a coupled high-temperature test facility consisting of an atmospheric-pressure nitrate salt loop and a supercritical carbon dioxide (sCO 2 ) loop operating between 10 and 16 MPa. Pressure loss measurements collected for flow rates up to 0.55 kg/s of Solar Salt and up to 0.6 kg/s of carbon dioxide were used to generate friction factor correlations for the respective circular and semicircular zig-zag flow passages. Heat transfer measurements were also performed over a wide range of conditions to produce Nusselt correlations for the CO 2 and nitrate salt geometries. The Nusselt number is deduced from a heat transfer resistance network and overall conductance measurements collected across the operating envelope of the coupled sCO 2 – nitrate salt test facility. The CO 2 side correlation showed excellent agreement with existing correlations in the literature. Further, the salt side, having nearly circular channels with a different zig-zag angle and hydraulic diameter, yielded a new correlation applicable to the laminar flow regime. To examine the similitude of the friction correlations, pressure drop testing with water was performed on both sides of the component as well. Finally, results from non-destructive examination are discussed to provide insights regarding inspection methods and draining performance of high-temperature liquids in compact heat exchangers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

First-principles-derived transport properties of Molten chloride salts

Molten salts have many applications ranging from a heat transfer medium in both generation IV nuclear reactor designs and the solar industry to thermal storage systems. While molten salts show promising properties for these applications, there still exists a knowledge gap for the transport properties of molten salts at elevated temperatures. This work uses ab initio Molecular Dynamics to investigate the transport properties of KCl, LiCl, KCl-LiCl eutectic, NaCl, MgCl 2 , and NaCl-MgCl 2 eutectic molten salt systems. Further, the properties presented here are the diffusion coefficient, viscosity, and isochoric heat capacity. These properties are compared to experimental data where available and other computational work in cases where no experimental data is available. This is the first work to explore timescales over 100 ps via AIMD for the determination of transport properties in molten salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Synergistic Effects of Molten Salt Corrosion and Proton Irradiation on Grain Boundary Strength in Ni-20Cr

Nickel-based alloys are leading contenders for use as structural materials in molten salt reactors. While there have been extensive studies on the impact of fluoride/chloride-based molten salt corrosion on the microstructural evolution of various nickel-based alloys, the effects of simultaneous molten salt corrosion and radiation on the mechanical integrity of grain boundaries (GBs) remain underexplored. In this study, we use a Ni-20Cr model alloy to investigate this issue, subjecting it to simultaneous molten fluoride salt corrosion and proton irradiation. We performed cross-sectional and chemically-sensitive electron microscopy characterization of the microstructures of these materials, identifying the characteristic corrosion-induced microstructure and local chemical heterogeneity near GBs. After developing a sample preparation method for reliable characterization of GB strength, we assess the mechanical degradation of GBs using in situ push-to-pull micro tensile tests. Our findings reveal that voids induced by corrosion are the primary influence on the failure mode of GBs, regardless of whether proton irradiation is present. For materials that exhibit ductile fracture, those subjected to simultaneous corrosion and radiation exhibit lower yield strengths than those exposed to corrosion alone, which may be linked to the previously observed phenomenon of proton irradiation-decelerated intergranular corrosion in molten salt.

36 - MATERIALS SCIENCE↗
DOE OSTI2024

Predicting thermophysical properties of molten salts in the MgCl 2 -NaCl-KCl-LiCl system with a shell-model potential

Ternary eutectic salts composed of MgCl 2 , NaCl, and KCl, referred to as MNK salts, have recently emerged as promising candidates as high-temperature heat transfer fluids and thermal energy storage media. Here we performed classical molecular dynamics (MD) simulations to predict the densities, specific heat capacities, viscosities, and ionic self-diffusivities for MNK salts over a wide temperature range. The impact of LiCl additive on their thermophysical properties was also investigated. To capture the electronic polarization of Cl anions by neighboring cations, we developed a novel shell-model potential using the force-matching method and a dataset of ab initio calculated interatomic forces. Our extensive MD simulations predict structure and properties for pure salts and binary/ternary salt mixtures in the MgCl 2 -NaCl-KCl-LiCl system in overall good agreement with available experimental and theoretical data, which corroborates the accuracy and reliability of our developed potential.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Exploring diversion-pathway analysis of a generic molten-salt fast reactor using multiphysics informed signatures

Molten salt reactors are being explored by multiple commercial ventures due to their inherent safety features, flexibility in fuel sources, and high fuel utilization and thermal efficiency. The continual flow of fuel salt, large fissile quantities present, and ability to add or divert material due to the liquid nature introduces new challenges for international safeguards. To understand how international safeguards should be applied, it is important to capture the inherent multi-physics nature of a molten salt reactor. This work examines a generic molten salt fast reactor to understand how potential diversion scenarios would affect the concentration of radionuclides in the primary and auxiliary systems. Three types of diversion were examined: a slow drip of fuel salt, gaseous plutonium extraction, and uranium metal plating. The analysis determined that several key isotopes become statistically significant once diversion begins, indicating that detection of such diversion cases would be possible through measuring specific signatures such as gamma spectra.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Novel textured surfaces for superior corrosion mitigation in molten carbonate salts for concentrating solar power

Corrosion of metals in contact with molten salts used for thermal energy storage and heat transport at high temperatures is a serious impediment to the development of next-generation concentrating solar thermal systems. Toward addressing this limitation, novel multiscale fractal-textured Ni coatings on a variety of substrate alloys are presented in this study for exceptional corrosion mitigation in molten carbonate salts at a high temperature. Strongly adherent, durable, single-layer, and double-layer multiscale fractal coatings were fabricated using the electrodeposition method. Corrosion performance of the coatings on SS310, SS316, SS347, and In800H was studied in molten carbonate salt (32% Li 2 CO 3 +33% Na 2 CO 3 +35% K 2 CO 3 ) at 750 °C. Single-layer coatings are stable up to 300 h immersion, whereas double-layer coatings are stable beyond 750 h. The corrosion rate of double-layer Ni coatings on ferrous alloys was reduced by as much as 60% from that of uncoated surfaces and was about 18% below that of higher cost, high Ni content Ha230. The study represents the first-ever report of corrosion characteristics of alloys in carbonate salts at 750 °C and the first demonstration of a means of dramatically reducing corrosion in carbonate salts at a high temperature. The article is significant in that it provides a viable approach for low-cost structural alloys to be corrosion-resistant to molten carbonate heat transfer fluids and storage media in high-temperature concentrating solar thermal applications. Furthermore, the corrosion-resistant coatings provide opportunities for the use of low-cost, ferritic alloys instead of the expensive nickel-based alloys in practice.

14 SOLAR ENERGY↗
DOE OSTI2020

Tuning the Morphology and Electronic Properties of Single-Crystal LiNi 0.5 Mn 1.5 O 4-δ : Exploring the Influence of LiCl–KCl Molten Salt Flux Composition and Synthesis Temperature

Single-crystal materials have played a unique role in the development of high-performance cathode materials for Li batteries due to their favorable chemomechanical stability. The molten salt synthesis method has become one of the most prominent techniques used to synthesize single-crystal layered and spinel materials. In this work, the molten salt synthesis method is used as a technique to tune both the morphology and Mn 3+ content of high-voltage LiNi 0.5 Mn 1.5 O 4 (LNMO) cathodes. The resulting materials are thoroughly characterized by a suite of analytical techniques, including synchrotron X-ray core-level spectroscopy, which are sensitive to the material properties on multiple length scales. Furthermore, the multidimensional characterization allows us to build a materials library according to the molten salt phase diagram as well as to establish the relationship among synthesis, material properties, and battery performance. The results of this work show that the Mn 3+ content is primarily dependent on the synthesis temperature and increases as the temperature is increased. Additionally, the particle morphology is mostly dependent on the composition of the molten salt flux, which can be tailored to obtain well-defined octahedrons enclosed by (111) facets, plates with predominant ($11\tilde{2}$) facets, irregularly shaped particles, or mixtures of these. The electrochemical measurements indicate that the Mn 3+ content has a larger contribution to the battery performance of LNMO than do morphological characteristics and that a significant amount of Mn 3+ could become detrimental to the battery performance. However, with similar Mn 3+ contents, morphology still plays a role in influencing the battery cycle life and rate performance. The insights of molten salt synthesis parameters on the formation of LNMO, with deconvolution of the roles of Mn 3+ and morphology, are crucial to continuing studies in the rational design of LNMO cathode materials for high-energy Li batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

In Situ Determination of Speciation and Local Structure of NaCl–SrCl 2 and LiF–ZrF 4 Molten Salts

Understanding the local environment of the metal atoms in salt melts is important for modeling the properties of melts and predicting their behavior and thus helping enable the development of technologies such as molten salt reactors and solar-thermal power systems and new approaches to recycling rare-earth metals. Toward that end, we have developed an in situ approach for measuring the coordination of metals in molten salt coupling X-ray absorption spectroscopy (XAS) and Raman spectroscopy. Our approach was demonstrated for two salt mixtures (1.9 and 5 mol % SrCl 2 in NaCl, 0.8 and 5 mol % ZrF 4 in LiF) at up to 1100 °C. Near-edge (X-ray absorption near-edge structure, XANES) and extended X-ray absorption fine structure (EXAFS) spectra were measured. The EXAFS response was modeled using ab initio FEFF calculations. Strontium’s first shell is observed to be coordinated with chlorine (Sr 2+ –Cl – ) and zirconium’s first shell is coordinated by fluorine (Zr 4+ –F – ), both having coordination numbers that decrease with increasing temperature. Multiple zirconium complexes are believed to be present in the melt, which may interfere and distort the EXAFS spectra and result in an anomalously low zirconium first shell coordination number. Finally, the use of boron nitride (BN) powder as a salt diluent for XAFS measurements was found to not interfere with measurements and thus can be used for investigations of such systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Real-Space Local Dynamics of Molten Inorganic Salts Using Van Hove Correlation Function

Molten inorganic salts are attracting resurgent attention because of their unique physicochemical properties, making them promising media for next-generation concentrating solar power systems and molten salt reactors. The dynamics of these highly disordered ionic media is largely studied by theoretical simulations, while the robust experimental techniques capable of observing local dynamics are not well-developed. To provide fundamental insights into the atomic-scale transport properties of molten salts, we report the real-space dynamics of molten magnesium chloride at high temperatures employing the Van Hove correlation function obtained by inelastic neutron scattering. Overall, our results directly depict the distance-dependent dynamics of a molten salt on the picosecond time scale. This study demonstrates the capability of the developed approach to describe the locally correlated- and self-dynamics in molten salts, significantly improving our understanding of the interplay between microscopic structural parameters and their dynamics that ultimately control physical properties of condensed matter in extreme environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Dual-Salt Electrolytes to Effectively Reduce Impedance Rise of High-Nickel Lithium-Ion Batteries

Simply mixing several lithium salts in one electrolyte to obtain blended salt electrolytes has been demonstrated as a promising strategy to formulate advanced electrolytes for lithium metal batteries (LMBs) and lithium-ion batteries (LIBs). In this study, we report the use of dual-salt electrolytes containing lithium hexafluorophosphate (LiPF6) and lithium difluorophosphate (LiDFP) in ethylene carbonate/ethyl methyl carbonate (EC/EMC) mixture and tested them in layered high-nickel LIB cells. LiNi 0.94 Co 0.06 O 2 was synthesized through a coprecipitation method and was used as a representative high-nickel cathode for the U.S. DOE realizing next-generation cathode (RNGC) deep dive program. The ionic conductivity of dual-salt electrolytes can be maintained by controlling the amount of LiDFP. Techniques including 1 H Nuclear Magnetic Resonance (NMR), X-ray photoelectron spectroscopy (XPS), inductively coupled plasma-mass spectrometry (ICP-MS), and differential voltage analysis (DVA) were used to understand the improved performance. Additionally, the multifaceted benefits of using the dual-salt electrolytes include (1) reduced transesterification, (2) formation of a stable cathode electrolyte interface, and (3) mitigation of cathode degradation at high voltages, especially stabilization of oxide particles during the H 2 <-> H 3 transformation.

25 ENERGY STORAGE↗
DOE OSTI2023

Salts as Additives: A Route to Improve Performance and Stability of n-Type Organic Electrochemical Transistors

Organic electrochemical transistors (OECTs) are becoming increasingly ubiquitous in various applications at the interface with biological systems. However, their widespread use is hampered by the scarcity of electron-conducting (n-type) backbones and the poor performance and stability of the existing n-OECTs. Here, we introduce organic salts as a solution additive to improve the transduction capability, shelf life, and operational stability of n-OECTs. We demonstrate that the salt-cast devices present a 10-fold increase in transconductance and achieve at least one year-long stability, while the pristine devices degrade within four months of storage. The salt-added films show improved backbone planarity and greater charge delocalization, leading to higher electronic charge carrier mobility. These films show a distinctly porous morphology where the interconnectivity is affected by the salt type, responsible for OECT speed. The salt-based films display limited changes in morphology and show lower water uptake upon electrochemical doping, a possible reason for the improved device cycling stability. Our work provides a new and easy route to improve n-type OECT performance and stability, which can be adapted for other electrochemical devices with n-type films operating at the aqueous electrolyte interface.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Density Measurements of Molten LiF–BeF 2 and LiF–BeF 2 –LaF 3 Salt Mixtures by Neutron Radiography

The densities of eutectic (LiF) 2 –BeF 2 and mixtures of this salt (FLiBe) with LaF 3 were measured by dilatometry and by neutron attenuation from 673 K to 1,073 K. Because LaF 3 has a limited solubility in FLiBe, it was necessary to determine the amount of LaF 3 in solution before the density could be determined. The FLiBe density determination was favorably benchmarked against the literature data. A simple comparison was not available for the LaF 3 –FLiBe mixtures, so extrapolation of published data was necessary based on analysis using the Molten Salt Thermal Properties Database-Thermochemistry, or MSTDB-TC, developed by the US Department of Energy. Solubilities for LaF 3 in FLiBe ranged from 1 to 4 mol % over 673 to 1,073 K. The salt system was heated and cooled over 24 h to evaluate potential changes in composition and hysteresis during the measurement. Changes in the meniscus were observed, and these were included in the correction for density determinations. Salt surface tension may have led to supersaturation of LaF 3 in the salt because the solubility curve was nonlinear with respect to the inverse temperature, as would be expected for an ideal system. Surface tension measurements are currently underway to test this hypothesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Sparge Sampling of Molten Salts for Online Monitoring via Laser-Induced Breakdown Spectroscopy

A method was developed to sample molten salts by sparging to generate and transport aerosols to an isolated instrument for compositional analysis by laser-induced breakdown spectroscopy (LIBS). Real-time monitoring of molten salt composition is critical to developing molten salt nuclear reactors, which offer enhanced safety and efficiency. In this article, the sparge sampling method is described and compared with sampling using a Collison nebulizer. The size distribution and transport of aerosols produced from molten eutectic NaNO 3 –KNO 3 salt were compared for multiple gas flow rates (75–1200 mL min –1 ) and transport distances (0.68–2.61 m). Both methods produced aerosols ranging from 0.5 to 5.0 μm determined using a cascade impactor. Aerosols were effectively transported without pre- or trace-heating of gas lines, but transport efficiency was reduced by the formation of agglomerates. Sparge sampling was found to use less sample and less gas than a Collison nebulizer while producing a more concentrated aerosol stream (up to 5 μg L –1 ). The effects of laser energy and delay time on the signal quality of LIBS measurements of these aerosols were also studied. High energy and short delay times were found to enhance signal and repeatability, whereas signal-to-background and signal-to-noise ratios were highest at low energy and longer delay times. The capabilities of this system for online monitoring of molten salts were demonstrated with calibrations for Sr and Li with relative standard deviations of 2.6% and 1.5% and limits of detection of 380 and 180 μg g –1 , respectively.

Aerosols↗
DOE OSTI2026

La 3+ Networks and Speciation in the Molten State: Impact of Spacer Salt Selection on Structural Heterogeneity

We recently introduced the concept of a “spacer salt” that creates structural heterogeneity and intermediate range order. Put simply, a fully networked salt melt, such as LaCl 3 or UCl 3 , becomes disrupted by the introduction of ions that do not participate in the network. One of the results of this disruption is the experimental observation of two characteristic distances between the multivalent cations: the shorter “in-network” distance and the longer “across-network” distance spaced by the lowvalency salt. The longer characteristic distance, absent if there is no spacer salt, is the culprit for a new first sharp diffraction peak in scattering experiments. Intuitively, it would appear to follow from this analysis that higher concentrations of the lower-valency salt would further separate multivalent cations, resulting in a shift to lower q values of this first sharp diffraction peak. We will show experimentally and computationally that this is not always the case because multiple other factors enter into play.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Inverse mapping of properties to composition through generative modeling for designing molten salts

Generative modeling (GM) has been increasingly used for the inverse design and optimization of materials, yet its application to molten salt mixtures remains unexplored despite how a successful approach to the inverse design of molten salts would contribute to efficiently exploiting their customizability and unlocking their advantages in applications, such as energy production and energy storage. This work presents a workflow for the inverse design of molten salts with targeted density values, addressing the challenge of representing these complex mixtures in GM. A dataset of critically evaluated molten salt densities is used to train a variational autoencoder coupled with a predictive deep neural network, which then can be used to generate new molten salt compositions with desired density values. The effectiveness of the approach is demonstrated by designing mixtures with distinct densities and validating the predicted values using ab initio molecular dynamics simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗