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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 1,045 records · Page 58

Mechanism of heat affected zone cracking in Ni-based superalloy DZ125L fabricated by laser 3D printing technique

Laser 3D printing is a promising technique to repair damaged Ni-based superalloy components. However, the occurrence of heat affected zone (HAZ) cracking severely limits its applicability. In this paper, we unravel the cracking mechanism by studying the element, phase, defect, and strain distribution around an intergranular crack that initiated from the primary HAZ. Using synchrotron X-ray Laue microdiffraction, we measured high tensile strain/stress transverse to the building direction in both the primary HAZ and the cladding layers, as well as high-density dislocations, which resulted from the thermal contraction and rapid precipitation of γ' phase. The crack initiated because the transverse tensile strain/stress tore up the liquid film formed by the low-melting point preexisting phases in the primary HAZ, such as γ/γ' eutectics and coarse γ' precipitates. The incoherent carbide particles were frequently observed near the crack root as local strain concentrators. In the cladding layers, micro-segregation could not be completely avoided, thus the hot crack continued to propagate over several layers with the assistance of the transverse tensile stress. Finally, our investigations provide a useful guideline for the optimization of the 3D printing process to repair Ni-based superalloys with high susceptibility to hot cracking.

36 MATERIALS SCIENCE↗

Multimodal and multiscale strengthening mechanisms in Al-Ni-Zr-Ti-Mn alloy processed by laser powder bed fusion additive manufacturing

The unique thermokinetics of laser-powder bed fusion additive manufacturing (L-PBFAM) has been exploited for development of a novel high-strength Al-Ni-Ti-Zr-Mn alloy. The addition of 0.5 wt% Mn leads to extraordinary improvement in ultimate tensile strength (502 MPa) and work hardening due to the activation of two Mn-induced strengthening mechanisms. First, by a bimodal particle strengthening effect due to Al 31 Mn 6 Ni 12 nano-quasi-crystal particles rejected in inter-dendritic spaces and fibrous Al 3 Ni eutectic dendritic channels, which predominately contributes to the strength improvement, and second by solid solution strengthening from remaining Mn entrapped in Al. These mechanisms supplement the particle strengthening effect imparted by coherent and incoherent Al 3 (Ti,Zr) co-precipitates present at melt pool boundaries, dislocation strengthening due to solidification induced strain, and Hall-Petch and backstress strengthening effect due to heterogenous grain size distribution occurring at various length scales. In conclusion, the solidification dynamics and hierarchical heat distribution that are associated with L-PBFAM resulted in complex spatial variations in these strengthening phenomena and were investigated via a high-throughput multiscale structure–property correlation that involved thermokinetic simulation, X-ray diffraction, high-resolution nanoindentation mapping, and site-specific transmission electron microscopy of the alloy.

36 MATERIALS SCIENCE↗

Surface smoothing for laser powder-bed Ti-6Al-4V by a transient liquid phase

Surface roughness is the primary driver of fatigue for additively manufactured metals. To address surface roughness, this work introduces a new method to smooth features beyond line-of-sight without material removal. The method applies a coating that triggers local surface remelting by activating a eutectic reaction during heat treatment. The associated liquid phase then wets and isothermally solidifies into a smoother surface. For Ti-6Al-4V fabricated with laser powder bed fusion, samples with and without TLP smoothing (using a Cu coating) were characterized with a suite of techniques, including mechanical testing, electron backscatter diffraction, synchrotron X-ray tomography, and fractography. TLP smoothing reduced surface roughness by 80% and amplified compressive residual stress at the surface by about 50%. With statistically equivalent virtual microstructures, crystal plasticity scrutinized the roles of phases, porosity, and surface roughness. Although the tensile strain-to-failure was reduced to 1% strain, the TLP smoothing process increased high-cycle fatigue strength by about 20% compared to control samples, pointing to future opportunities to optimize the new process through various coating compositions and heat treatment schedules. Overall, this work establishes a new paradigm for treating surfaces of materials for smoothness and compressive residual stress.

Additive manufacturing↗

Thermodynamic assessment of lithium halide reciprocal salt systems for energy applications

Lithium halides are of interest because of their unique applications as fuel or coolants in molten salt reactors (MSRs) and electrolytes in thermally activated batteries. Because iodine is an important fission product for MSRs, the Molten Salt Thermal Properties Database-Thermochemical (MSTDB-TC) is being expanded to include relevant iodide reciprocal salt systems. In this work, we assess the thermochemical properties of lithium halide pseudobinary systems based on reported experimental phase diagrams, eutectic temperatures, and enthalpies of mixing. Within the framework of the modified quasi-chemical model in the quadruplet approximation (MQMQA), extrapolations to the related pseudoternary and pseudoquaternary systems have been performed. The pseudoquaternary representations of phase equilibria, enthalpy, entropy, and heat capacity are represented in the resultant models. Of interest for generating source terms for accident analysis is the ability to compute the vapor pressures of the dominant iodide species for the systems at any composition. Here, an example of such calculations is provided for the LiF-LiI system at x LiI = 0.01 and x LiI = 0.70, in this case indicating that the LiI vapor species are predominant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermophysical properties of FLiBe using moment tensor potentials

Fluoride salts are prospective materials for applications in some next-generation nuclear reactors and their thermophysical properties at various conditions are of interest. Experimental measurement of the properties of these salts is often difficult and, in some cases, unfeasible due to challenges from high temperatures, impurity control, and corrosivity. Therefore, accurate theoretical methods are needed for fluoride salt property prediction. In this work, we used moment tensor potentials (MTP) to approximate the potential energy surface of eutectic FLiBe (66.6% LiF – 33.3% BeF2) predicted by the ab initio (DFT-D3) method. Here, we then used the developed potential and molecular dynamics to obtain several thermophysical properties of FLiBe, including radial distribution functions, density, self-diffusion coefficients, thermal expansion, specific heat capacity, bulk modulus, viscosity, and thermal conductivity. Our results show that the MTP potential approximates the potential energy surface accurately and the overall approach yields very good agreement with experimental values. The converged fitting can be obtained with less than 600 configurations generated from DFT calculations, which data can be generated in just 1200 core hours on today's typical processors. The MTP potential is faster than many machine learning potentials and about one order of magnitude slower than widely used empirical molten salt potentials such as Tosi/Fumi.

36 MATERIALS SCIENCE↗

Synthesis and thermophysical property determination of NaCl-PuCl3 salts

Currently, a knowledge gap exists in the available data and understanding of thermophysical properties relating to fresh fuel salts, especially those containing plutonium. These data are necessary for designing, constructing, and licensing future commercial molten-salt reactors. Thermophysical properties, such as melting temperature, salt stability, density, and heat capacity were ascertained using NaCl-PuCl3 (36 mol% PuCl3) and a more sodium rich composition containing 25 mol% PuCl3. The NaCl-PuCl3 salt mixture was synthesized for this study and contained 63.4 mol% NaCl, 36.3 mol% PuCl3 and was 99.7% pure. Upon heating, the NaCl–PuCl3 eutectic was stable at temperatures up to 800 °C. The onset of melting occurred at 451 ± 3 °C, and the enthalpy of fusion was determined to be 23.0 ± 1.4 kJ/mol. Heat capacity measurements in the liquid phase ranged from 107.7 to 91.3 J/mol.K, with an average value of 104.6 ± 11.4 J/mol.K between 500 and 650 °C. Three independent trials of the molten NaCl-PuCl3 salt found the density to be ?(T) = 3.8589 – 9.5342·10-4 T(°C). In addition, ab initio molecular dynamic simulations to calculate density and heat capacity values are included.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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↗

Effect of iodides on thermal behavior and phase partitioning in LiCl-KCl

Liquid-fueled molten salt reactors (MSRs) are designed to operate with fissile materials and, ultimately, fission products dissolved in the primary molten salt coolant. Understanding the speciation and transport of iodine—a high-yield fission product—is essential because this element’s accidental release poses significant environmental concerns due to its capacity to be readily absorbed by the human thyroid gland. Here, we report the impact of iodide species (LiI and KI) on phase transitions, phase distribution, and phase stability in LiCl–KCl-eutectic salt mixtures. The study employed a combination of computational and experimental techniques, including thermodynamic FactSage calculations, differential scanning calorimetry, and high-temperature X-ray diffraction. The results indicate that the presence of iodide (10–25 wt%) significantly alters the melting behavior of the LiCl–KCleutectic system. Adding 10 wt% LiI has a more-pronounced effect than 10 wt% KI, as LiI converts to KI, leading to formation of LiCl, thereby, altering the LiCl-KCl ratio which significantly affects the melting temperature of the mixture. Furthermore, the evolution of crystalline structure, solid-fraction composition, and the dynamics of mixed-halide solid–liquid partitioning as a function of temperature indicate the potential for selective iodide separation from chloride-salt mixtures via solid–liquid separation techniques. Overall, the presented findings provide valuable insights that are beneficial for the design and operation of MSRs, as well as for the safe handling and effective processing of used nuclear fuel using advanced pyrochemical techniques.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Microstructural refinement of an Al-Ce-Mg alloy via Shear Assisted Processing and Extrusion

Al-Ce alloys have attracted recent interest because of their high thermal stability due to the low solubility of Ce in the Al matrix. The Al 11 Ce 3 eutectic phase gives excellent strain hardening behavior and moderate high-temperature strength in the as-cast state. However, its strengthening effect is limited by its coarse as-cast structure. Therefore, alternative manufacturing methods such as additive manufacturing or equal channel angular pressing have been applied to refine the Al 11 Ce 3 phase to good effect. However, these techniques are both expensive and time-consuming. Therefore, this study aims to use Shear Assisted Processing and Extrusion (ShAPE), an emerging solid phase processing technique that is more easily scalable than the previously mentioned methods. ShAPE can produce useful cross-sections of an Al-8Ce-4Mg alloy while refining the Al 11 Ce 3 phase to produce a higher strength material. It was found that a low temperature ShAPE process can improve the room temperature yield strength by ~60 % compared to a binary Al-4Mg alloy. Additionally, the high-temperature yield strength of the Al-Ce alloys increased by 20%, with a simultaneous 15% improvement in ductility compared to the binary Al-Mg alloy. Finally, these results highlight the potential for ShAPE as a processing technique for Al-Ce alloys.

36 MATERIALS SCIENCE↗

Effect of Si impurities on microstructure and tensile properties of a cast Al-Mg-Fe alloy

Al-Mg alloys are attractive for structural castings owing to their superior strength and ductility in the as-cast state. However, given the tight tolerance for impurities, Al-Mg alloys produced from secondary sources still face multiple challenges. Here, we report the effect of increased Si impurity (0.05–1.6 wt%), which is commonly found in secondary Al sources, on microstructure and tensile properties of a cast Al-4.3Mg-1.6Fe (wt%) alloy, commercially referred to as Castaduct-42 alloy. Microstructural characterization revealed that Si addition increased the volume fraction, size, and aspect ratio of primary Al13Fe4 intermetallic particles as well as the volume fraction of other binary and ternary eutectic phases. Tensile testing results demonstrated that increasing Si impurities from 0.05 to 1.6 wt% reduced ductility from 14.3 ± 1.4 % to 2.2 ± 1.0 %. A particle cracking damage accumulation model coupled with failure analysis indicated primary Al13Fe4 intermetallic particles to be the major contributing factor to the deterioration in ductility with increasing Si content. Additionally, the stabilizing effect of Si on primary Al 13 Fe 4 was inconsistent with the CALPHAD calculation results based on existing CALPHAD databases which predict a slightly decreasing primary Al13Fe4 phase fraction with increasing Si concentration. This work provides new insights into the phase stability and mechanical behavior of the lesser studied Al-Mg-Fe-Si alloy system that will contribute to the development of sustainable cast Al-Mg based alloys.

36 MATERIALS SCIENCE↗

Development of an accelerator-based neutron source to prototype Mo-99 production, part I: A liquid LBE windowless target

In this article, Molybdenum-99 (Mo-99)’s decay product, technetium-99 (Tc-99 m), is one of the most critical isotopes for medical diagnostics. To provide U.S. domestic supply of Mo-99 without using high-enriched uranium (HEU), a subcritical uranium target assembly (UTA) is irradiated by an accelerator-based neutron source to create Mo-99 through fission. This study discusses the development of the accelerator-based neutron source. The high-energy electrons from the accelerator irradiate a liquid lead-bismuth eutectic (LBE) target to produce neutrons. Part I of this work focuses on numerical and experimental analysis towards the development of a liquid LBE windowless target. Unlike the existing windowless targets in literature, the current design creates a vertical free surface for a beam to irradiate. First, a hydrodynamic analysis of the LBE windowless target is performed. Simplified analytical calculations are assisted by 2D computational fluid dynamics (CFD) simulations to design the target, with the focus on eliminating recirculation zones and avoiding cavitation. With the optimized geometry, the experimental study is performed to investigate the flow hydrodynamics using liquid LBE. The experiments (1) compare pressure drop in the system to correlation predictions; (2) visualize the free surface liquid LBE flow from the beam view; (3) validate the LBE flow profile using temperature sensitive paint from the side view; and (4) validate the liquid LBE film thickness using gamma densitometer measurements. Second, the power handling capability of the designed windowless target is investigated. The divider plate in the current design is susceptible to overheating due to the thin LBE film in front. As LBE erosion and corrosion is likely to occur at an LBE velocity of 2.0 m/s and temperature above 500 °C, a power limit of 10 kW of beam power was established to prevent this corrosion from occurring, which is calculated by a Nusselt number correlation. The divider plate surface temperature at 10 kW agrees well with the 3D CFD simulation results. Part I demonstrates the fundamental physics in liquid LBE windowless target design and associated testing. A companion paper, Part II will demonstrate how to couple this windowless target into the Mo-99 production system, including an accelerator system operating under an ultra-high vacuum and the UTA cooled by water at room temperature.

43 PARTICLE ACCELERATORS↗

Development of an accelerator-based neutron source to prototype Mo-99 production, Part II: A liquid LBE loop under a high vacuum

To provide US domestic supply of Mo-99 without using high-enriched uranium (HEU), a subcritical uranium target assembly (UTA) is irradiated by an accelerator-based neutron source to create Mo-99 through fission. Part I of this work discusses the design of a liquid lead–bismuth eutectic (LBE) windowless target for an accelerator-based neutron source development. Part II discusses how to couple this windowless target to an accelerator operating at an ultra-high vacuum and the subcritical UTA cooled by water at room temperature. Due to the windowless design of the target, the liquid LBE flow shares an ultra-high vacuum (<1.3 × 10 -7 Pa or 10 -9 Torr) space with the accelerator. As a result of this shared vacuum space, the LBE system must operate at a high vacuum (10 -3 ~10 -6 Pa or 10 -5 ~10 -8 Torr). A magnetic rotary motion feedthrough unit utilizes magnetic fluid to allow rotation of the pump while maintaining a high vacuum environment. Prior to testing the LBE system under vacuum, a pump curve measurement is performed to estimate flowrate in the system. This measurement also generates data on orifice loss coefficients, which are compared to correlations in literature. The second experiment investigates vacuum level in the LBE system during operation. High vacuum is maintained (10 -3 ~10 -5 Pa or 10 -5 ~10 -7 Torr) during system operation, and a residual gas analyzer (RGA) scan shows that partial pressures of residual gases in the LBE system lower over the duration of LBE system operations. The third experiment investigates the gravity driven liquid LBE flowing out of the target chamber in the return line, which is partially full. If the liquid LBE is not drained quickly enough, flooding in the target chamber could occur. The coefficient n in the Manning equation is found to be around 0.008 s/m 1/3 . The last experiment performed is a demonstration that a vacuum jacket could provide sufficient thermal insulation to allow coupling between 300 °C LBE loop and a water tank at room temperature. In conclusion, the results from these experiments have influenced the development of the neutron source for the future commercial scale Mo-99 production system.

43 PARTICLE ACCELERATORS↗

Chromium-doped uranium dioxide fuels: A review

UO 2 doped with parts per million CR 2 O 3 powder is considered a potential near term accident tolerant fuel candidate. Here, the results of decades of industry and academic research into Cr-doped UO 2 are analyzed and their shortcomings are critiqued. Focusing on the incorporation mechanisms of Cr into the fuel matrix, we explore a mechanistic understanding of the characteristic properties of Cr-doped UO 2 , notably, enhanced fission gas retention attributed to enlarged grain sizes following sintering, along with marginal improvements in the thermophysical properties. The findings of recent X-ray Adsorption Near Edge Spectroscopy studies were compared and put into conversation with historic data regarding the incorporation of Cr in UO 2 . On the basis of defect mechanisms, the case is made for the substitutional incorporation of Cr governing the lattice solubility but not the enhanced U diffusivity. Instead, Cr/CR 2 O 3 redox chemistry in a well-defined oxygen potential explains the differences in the U diffusivity and O/M ratio. The primary mechanism of doping enhanced grain growth is found to be liquid assisted sintering due to a CRO (1) eutectic phase at the grain boundaries. The role of inhomogeneities in Cr concentration in UO 2 at various length scales across the materials microstructure is highlighted and connected to promising experimental and modeling work to fill in the gaps in the current understanding of Cr-doped UO 2 . The review considers both the open scientific questions and engineering applications to illustrate the deep connections between the practice and theory in the design of accident tolerant nuclear fuels. In conclusion, the review ends with an outline of future works that combine meticulous irradiation studies and high resolution experiments with next generation modeling and simulations techniques empowered by machine learning advances to accelerate the fabrication and adoption of Cr-doped UO 2 light water reactors.

Cleveland, Mack Wesley [Massachusetts Inst. of Tec↗

Chlorination of HALEU regulus casting dross

A scoping study was performed for chlorinating dross formed during uranium casting operations. Here, the purpose is to minimize the losses of uranium to dross wastes. The dross is primarily a mixture of uranium metal and uranium oxide with a minor fraction of crucible and crucible coating materials. The reaction chemistries were performed in a carrier salt of LiCl-KCl eutectic at 500 °C. The addition of FeCl 2 chlorinated the uranium metal to UCl 3 , by reducing the FeCl 2 to iron metal. After the uranium metal was chlorinated, zirconium metal was added to the salt. The residual FeCl 2 chlorinated the zirconium metal to ZrCl 4 , by reducing the FeCl 2 to iron metal. In turn, the ZrCl 4 chlorinated the uranium oxide to UCl 3 , by converting the ZrCl 4 to zirconium oxide. The effectiveness of the chlorination reactions was qualitatively verified by cyclic voltammograms that indicated the presence or absence of FeCl 2 and UCl 3 in the salt.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fundamental flow characterization for LiCl–KCl molten salt natural circulation closed loop

Molten salt flow characterization presents numerous challenges due to the hostile environments that cause corrosion and erosion of instrumentation and structural components. To support future molten salt flow characterization under natural convection conditions, a LiCl–KCl eutectic molten salt loop was designed and constructed. The primary objective of this loop is to facilitate natural convection as the principal cooling mechanism, enabling insights into the physics behind natural convection in closed loops and serving as a baseline for loop dimensional and non-dimensional analyses. Here, this study summarizes the fundamental functions employed for flow characterization and introduces a model to estimate flow rate when intrusive instrumentation is unavailable. The approach relies solely on structural surface measurements to avoid flow disturbances. Furthermore, a comprehensive thermal–hydraulic analysis is included to deepen understanding of the system’s behavior.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Solute diffusion behavior during heat treatment and its impact in Sc-microalloyed Al-Cu system

Scandium (Sc) is a promising microalloying element that enhances the strength and thermal stability of aluminum (Al) alloys. However, these benefits are not fully realized in aluminum-copper (Al-Cu) systems, and corrosion resistance often declines due to the complex phase evolution and diffusion behavior of Cu and Sc. Here, to clarify this, solute diffusion behavior and Cu-Sc interaction during heat treatment (HT) were investigated using in situ synchrotron-based transmission x-ray microscopy (TXM), wide-angle x-ray scattering (WAXS), and x-ray absorption near-edge structure (XANES) spectroscopy. The results, supported by electron microscopy, reveal strong Cu-Sc bonding that significantly impedes solute diffusion, leading to inhomogeneous solute distribution and non-uniform precipitation. Moreover, the Al-Cu-Sc eutectic phase exhibits high thermal stability, resisting dissolution even near the matrix liquidus. These findings quantitatively elucidate the sluggish diffusion kinetics of Cu and Sc, which can help redesign HT schedules to improve both mechanical properties and corrosion resistance in Sc-microalloyed Al-Cu alloys.

36 MATERIALS SCIENCE↗

Stretchable and wearable polymeric heaters and strain sensors fabricated using liquid metals

Wearable electronic devices (WEDs) are receiving significant attention because of the increasing interest in soft robotics, electronic skin, and wearable sensors. Liquid metals (LMs) are compelling for WEDs owing to their metallic conductivity, fluidic nature, and low toxicity. For this study, we fabricated stretchable and soft WEDs using LM (eutectic gallium-indium alloy) wires (LMWs) patterned via force wetting through custom-made stencils on an elastic substrate. LMWs can generate thermal energy via Joule heating upon current application and deliver it to the substrate, resulting in wearable polymeric heaters. The LM mixed with carbonyl iron particles (CIPs) can also be patterned while preserving fluidic behavior. The degree of thermal energy generated through the LMWs can be manipulated as a function of the CIP concentration in the LM and geometrical factors of the electrode patterns, i.e., width and length. An elastic film patterned with LMWs attached to the human body exhibits changes in the effective electrical resistance depending on applied strain, demonstrating potential as a wearable strain sensor. This LM utilized WED that can generate thermal energy upon current application through the LMWs and detect the bodily motion has significant potential for application in wearable thermotherapy, electronic skin, and soft sensors.

47 OTHER INSTRUMENTATION↗

New directions and principles for solvent extraction for recovery of lithium from aqueous brines and mineral leachates: A brief review

Increasing demand for lithium for manufacturing of batteries is fueling the unprecedented search for improved recovery and alternative sources. Wider source distribution, lower energy consumption, and greater sustainability make extraction of lithium from brines, both natural and process-derived, an attractive alternative to mineral ores. Solvent extraction, used industrially for production of metals, salts, and pharmaceuticals, has been investigated as a methodology for lithium recovery for several decades. However, industrial application of solvent extraction for lithium recovery has so far been limited. In contrast, direct lithium extraction using adsorbents based on inorganic minerals has rapidly advanced from research to commercialization. A comparison of solvent extraction processes to adsorption highlights these issues and explains the preference for adsorbents. Although the application of solvent extraction has been criticized for use of large amounts of acid, alkali, and organic solvents, steady progress has been made to improve its potential for industrial lithium production, spurred on generally by the advantages of solvent extraction in selectivity and throughput. Previously developed beta-diketone, organophosphate, and crown ether ligands are being adapted and improved. Their novel use with ionic liquids, deep eutectic solvents, and membrane technologies promises to expand capabilities for extraction of lithium from dilute aqueous sources while improving sustainability. Possibilities for further discovery and innovation abound. In this review, we provide a unique perspective from the field of solvent extraction starting with fundamentals such as ion-transfer theory and apply them to understanding lithium selectivity and extraction behavior. In conclusion, the results are cast in the light of the practical realities of developing economical solvent extraction processes.

Brine↗