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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Impact of Salt Chemistry and Interlayer Architecture on Solid Electrolyte Interphase Composition and Performance

Reversible lithium metal anodes require interphases that are chemically stable, mechanically robust, and compatible with scalable processing. Here, we use slot-die-coated, salt-rich PEO interlayers to design SEI nanolayers on Cu current collectors and isolate how salt anion chemistry controls interphase composition and lithium plating/stripping behavior in architectures relevant to Li plating and anode-free cells. Mesoscale modeling shows that dendrite initiation at SEI defects is governed by a tradeoff among interphase thickness, ionic conductivity, and stiffness through defect-driven current focusing, motivating controlled formation from thin precursor layers. Using UHV-transferred XPS and ToF-SIMS depth profiling after controlled Li deposition, we find that fluorinated sulfonylimide salts (LiTFSI, LiFSI) form mixed inorganic/organic interphases containing LiF and PEO-derived alkoxides, with LiFSI producing a more LiF-dominant Li-facing surface than LiTFSI under identical conditions. In contrast, LiNO 3 -containing interlayers yield a comparatively thick nitrate-derived interphase that reduces upon Li contact to an N-rich inorganic layer (Li–N/N 3− , LiN x O y ). In Cu| |Li cells, these designed interlayers reduce interfacial resistance and improve Coulombic efficiency (CE) and critical current density (CCD) relative to uncoated controls, with LiFSI- and LiNO 3 -based interlayers providing the highest CE/CCD. Overall, the results demonstrate a manufacturing-relevant approach to engineer SEI nanolayers by salt chemistry, providing pathways to improve reversible lithium metal anodes while reducing reliance on LiTFSI.

anion chemistry↗
DOE OSTI2023

Improving the Mechanical Properties of Cast Aluminum Via Ultrasonication-Induced Microstructural Refinement

One barrier to the broader use of cast aluminum alloys in automotive applications is their poor mechanical properties, especially compared to wrought materials. This study investigates the use of ultrasound to refine the microstructure of cast aluminum alloys during solidification and thus improve their mechanical properties. An A356 aluminum alloy (Al-Si-Mg) with added Fe (to mimic a recycle-grade alloy) was cast in a graphite mold with the simultaneous application of ultrasound. Tensile specimens were extracted from the castings and heat treated to a T6 temper. Ultrasonication during casting transformed the morphology of primary aluminum grains from dendritic (~140 microns in size) to globular (~36 microns in size), increased the ultimate tensile strength by 10 %, and tripled the ductility compared to casting without ultrasound. This improvement in strength and ductility demonstrates the potential for ultrasonic processing to improve the performance of cast aluminum alloys without altering their chemistry or additional post-processing.

Aluminum, Solidification, Ultrasound, Grain refinm↗
DOE OSTI2023

Solid Phase Processing of Mg-Al-Mn-Ca for High Strength and Ductility

While rare-earth Mg alloys have remarkable properties for high strength applications, lower cost alternatives are necessary for the widespread industry use of Mg. Ca added Mg alloys have shown promise as an alternative to rare-earth alloys. Ca-based precipitates can reduce basal texture, reduce casting porosity, and increase mechanical strength. However, the accumulation of Ca-based precipitates along inter-dendritic regions can severely limit ductility. Here, we apply two solid phase processing techniques, friction stir processing and shear assisted processing and extrusion, to produce wrought microstructure sheet and extruded tubes from a cast Mg-Al-Mn-Ca alloy. Ductility of the alloy is enhanced by densification under applied force and elevated temperature, grain refinement, and refinement of (Al,Mg)-Ca based precipitate.

Garcia, David↗
DOE OSTI2022

Transport and mechanical behavior in PEO-LLZO composite electrolytes

Abstract Composite solid electrolytes (CEs), wherein ion-conducting polymer and ceramic/glass is mixed, are promising candidates for all-solid-state batteries due to their promise of acceptable ionic conductivity and mechanical properties compared to their individual constituents. While numerous studies have focused on improving the performance of CEs, it is still unclear what the material targets are that can result in improved macroscopic performance especially in light of the coupled needs for high transport and high mechanical strength in these materials. In this study, a two-dimensional (2D) mathematical model is developed to investigate electrochemical and mechanical characteristics of CEs. The model is compared to CEs consisting of poly-ethylene-oxide (PEO) polymer and lithium lanthanum zirconium oxide (LLZO) ceramic material with examination of the impact of varying LLZO volume fractions. The potential drop at the PEO-LLZO interface is evaluated using the junction potential theory. Using experimental data from the literature, the model estimates the ionic conductivity, effective transference number, and mechanical stiffness of the CEs. While the mechanical stiffness improves with increasing volume fraction of LLZO, the impact on conductivity and transference number depends on interfacial resistance at the interface. Finally, the study reports CE’s potential to enhance Li-ion transport and mechanical properties to inhibit lithium (Li) dendrite growth.

25 ENERGY STORAGE↗
DOE OSTI2026

Oxygen Effects and Selective Oxidation of Group IV Alloying Additions in Group V-Based Refractory Multi-principal Element Alloys

Refractory multi-principal element alloys (RMPEAs) hold significant potential for advancing ultra-high-temperature technologies due to their remarkable strength retention under these conditions. However, the beneficial effects of alloying on microstructural evolution and mechanical properties are often obscured by the presence of interstitial alloying elements. The intricate interactions between substitutional alloying elements of Groups IV, V, and VI and interstitial content, whether intentional or incidental, remain poorly understood. In this study, we investigate the impact of dissolved oxygen on the microstructural evolution and stability of RMPEAs primarily composed of Group V elements, Nb and V, along with Group IV elements Ti, Zr, and Hf. We show that the strong affinity of oxygen for Group IV elements Zr and Hf leads to the internal precipitation of oxides during heat treatment, which competes with the homogenization of the as-cast dendritic microstructure. Here, we demonstrate that careful control and design of oxygen content and Group IV alloying additions are essential to minimize micro-segregation and prevent the detrimental precipitation of internal oxides. To address these challenges, we propose employing non-equilibrium solidification calculations to predict and optimize as-cast solidification structures, thereby reducing the reliance on homogenization processes.

Alloy design↗
DOE OSTI2020

Fluid Dynamics Effects on Microstructure Prediction in Single-Laser Tracks for Additive Manufacturing of IN625

Single-track laser fusion were simulated using a heat-transfer-solidification-only (HTS) model and its extension with fluid dynamics (HTS_FD) model using a parallel open-source code, which included laminar fluid dynamics, flat-free surface of the molten alloy, heat transfer, phase-change, evaporation, and surface tension phenomena. The results illustrate that the fluid dynamics affects the solidification and ensuing microstructure. For the HTS_FD simulations, thermal gradient, G was found to exhibit a maximum at the extremity of the solidified pool ( i.e. , at the free surface), while for HTS simulations, G exhibited a maximum around the entire edge of the solidified pool. HTS_FD simulations predicted a wider range of cooling rates than the HTS simulations, exhibited an increased spread in the solidification speed, V variation within the melt-pool with respect to the HTS model results. Primary dendrite arm spacing (PDAS) were evaluated based on power law correlations and marginal stability theory models using the ( G , V ) from HTS and HTS_FD simulations to quantify the effect of the fluid dynamics on the microstructure. At low-laser powers and low-scan speeds, the PDAS obtained with the fluid dynamics model (HTS_FD) was larger by more than 30 pct with respect to the PDAS calculated with the simple HTS model. A new PDAS correlation, i.e. , \( \lambda_{1} \left[ {\mu {\text{m}}} \right] = 832\;G\left[ {\text{K/m}} \right]^{ - 0.5} V\left[ {\text{m/s}} \right]^{ - 0.25} \) , which uses the ( G , V ) results from the HTS_FD model was developed and validated against experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Deposition Height Prediction in Directed Energy Deposition

Using 316L stainless steel as a model material, reduced-order models are developed to predict capture efficiency, deposition height, and site-specific hardness in directed energy deposition. Capture efficiency is predicted over a 15 to 55 pct range using a dimensionless number derived from processing conditions and thermophysical properties. Deposition height is predicted over a 0.3 to 1.3 mm range without in situ sensing or prior training data, using two models based on the same mass and energy-balance principles. Predictions are compared with machine learning approaches. A quantitative relationship links deposition height, primary dendrite arm spacing (PDAS), and hardness: heights of 0.3 to 1.1 mm correspond to PDAS values of 2.7 to 5.1 µm and Vickers hardness (HV) of 160 to 219. Thinner layers cool more rapidly, producing finer microstructures and higher hardness. Samples fabricated with in situ variations in deposition height exhibited up to 55 HV differences between thick and thin regions, demonstrating that local control of deposition height enables predictive, site-specific hardness within a single build. These results establish deposition height prediction as a pathway for a priori process design and property control in directed energy deposition for 316L stainless steel.

Kunkel, William [Univ. of Wisconsin, Madison, WI (↗
DOE OSTI2020

Evolution of Microstructure, Residual Stress, and Tensile Properties of Additively Manufactured Stainless Steel Under Heat Treatments

This study investigated the microstructure, residual stress and tensile properties of the directed energy deposited stainless steel 316L (SS316L) under thermal annealing. Microstructure characterization shows the as-printed sample has laser-generated patterns where dendritic structure is observed at the edge of the patterns and cellular structure dominates the interior region. Here, the thermal annealing at 983 and 1093°C effectively removes the dendritic/cellular structures. Synchrotron X-ray diffraction reveals that the as-fabricated SS316L exhibits compressive residual stress of -197.4 MPa. The stress is greatly relieved to -53.8 MPa after annealing at 1093°C. The room temperature tensile testing indicates that the yield strength and ultimate tensile strength drop from 378 and 502 MPa in the as-printed sample to 258 and 446 MPa in the annealed samples (1093°C), respectively. Our study provides insights into the relationship between microstructure, residual stress, and tensile properties of laser additive manufactured SS316L.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Additive Manufacturing of Pure Mo and Mo + TiC MMC Alloy by Electron Beam Powder Bed Fusion

A metal matrix composite powder of molybdenum (Mo) + TiC was produced by mechanical alloying (MA) and used in additive manufacturing by electron beam powder bed fusion along with pure Mo powder to form sandwich structures. The Mo + TiC solid layers formed mixed structures of Mo with discrete TiC particles, eutectic Mo + TiC, and Mo dendrites. Thermodynamic modeling showed that the system contained an invariant eutectic reaction in the composition range used and indicated that the system was highly sensitive to changes in composition and temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Phase Field Modeling of Pressure Induced Densification in Solid Electrolytes

Adoption of dense and homogeneous solid electrolytes can possibly mitigate the propagation of lithium dendrites and enable lithium metal anodes. Application of external pressure helps to minimize the sintering temperature in oxide ceramics and can potentially densify softer sulfide electrolytes even under room temperature conditions. Here, a previously developed phase field-based computational scheme for predicting the high-temperature sintering-induced densification of oxide ceramic solid electrolytes is extended in the present context to capture the influence of external pressure for densifying solid electrolytes. Two different bulk deformation mechanisms, namely, "reorganization" and "creep deformation," are dominant under external pressure, which is different from the surface and grain-boundary diffusion-induced densification of solid electrolytes that occurs during high temperature sintering. External pressure also increases the points of contact between the particles, which further enhances the propensity of diffusion-induced sintering process. Results obtained from simulations indicate that densification under external pressure is independent of the solid electrolyte particle morphology. Finally, a phase map is generated between applied pressure and temperature for achieving complete densification of oxide ceramics, which can possibly guide the synthesis of thin and dense solid electrolyte separators.

25 ENERGY STORAGE↗
DOE OSTI2020

A novel battery scheme: Coupling nanostructured phosphorus anodes with lithium sulfide cathodes

Lithium-ion batteries are approaching their theoretical limit and can no longer keep up with the increasing demands of human society. Lithium-sulfur batteries, with a high theoretical specific energy, are promising candidates for next generation energy storage. However, the use of Li metal in Li-S batteries compromises both safety and performance, enabling dendrite formation and causing fast capacity degradation. Previous studies have probed alternative battery systems to replace the metallic Li in Li-S system, such as a Si/Li2S couple, with limited success in performance. Recently, there is a focus on red P as a favorable anode material to host Li. In this work, we establish a novel battery scheme by utilizing a P/C nanocomposite anode and pairing it with a Li 2 S coated carbon nanofiber cathode. We find that red P anode can be compatible in ether-based electrolyte systems and can be successfully coupled to a Li 2 S cathode. Our proof of concept full-cell displays remarkable specific capacity, rate and cycling performances. We expect our work will provide a useful alternative system and valuable insight in the quest for next generation energy storage devices.

25 ENERGY STORAGE↗
DOE OSTI2022

Strengthening Mechanisms and Deformation Behavior of Industrially-Cast and Lab-Cast Dual-Phase High Entropy Alloy

An iron-rich high entropy alloy Al 0.65 CoCrFe 2 Ni comprising of both FCC and BCC phases was designed and fabricated using induction melting at a large industrial scale and suction casting at a small lab scale. Spinodally decomposed interdendritic regions were uniformly distributed in the industrially melted alloy, and a finer dendritic structure with smaller sized spinodal structures was observed in the alloy suction cast at lab scale. The suction cast alloy fabricated at the lab scale exhibited significantly higher compressive yield strength compared to the industrially cast alloy. The relative strengthening contributions in the alloys due to solid solution, grain boundary, dislocation interactions and interphase boundary were analyzed. Dislocation hardening was the major contributor responsible for the higher strength of the SC alloy. The deformation behavior in the alloys was examined with the help of orientation image mapping. Finally, intense slip band formation at large strains in the industrially melted alloy indicates that cold working can be an effective technique to enhance the strength of the dual-phase high entropy alloy processed at a large scale.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In situ synchrotron investigation of degenerate graphite nodule evolution in ductile cast iron

Ductile cast irons (DCIs) are of increasing importance in the renewable energy and transportation sectors. The distribution and morphology of the graphite nodules, in particular the formation of degenerate features during solidification, dictate the mechanical performance of DCIs. In situ high-speed synchrotron X-ray tomography was used to capture the evolution of graphite nodules during solidification of DCI, including degenerate features and the effect of the carbon concentration field. The degeneration of nodules is observed to increase with re-melting cycles, which is attributed to Mg-loss. The dendritic primary austenite and carbon concentration gradients in the surrounding liquid phase were found to control nodule morphology by locally restricting and promoting growth. A coupled diffusion-mechanical model was developed, confirming the experimentally informed hypothesis that protrusions form through liquation cracking of the austenite shell and subsequent localised growth. In conclusion, these results provide valuable insights into the solidification kinetics of cast irons, supporting the design of advanced alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multiscale investigation of thermomechanical and compositional developments in Ni alloy 718 under laser processing

Laser processing has been widely employed in various applications due to its exceptional spatial resolution. However, the rapid temperature gradients generated in localized areas present significant challenges for experimental characterization using conventional instruments. To characterize Ni alloy 718 during laser processing, we employed in-situ synchrotron X-ray diffraction with a high-speed detector, a method particularly well-suited for probing processes with high temporal and spatial resolution. Through a series of in-situ experiments, we investigated the local variations in the evolution of microstructures and thermomechanical behaviors within a keyhole mode melt pool. The in situ macroscopic thermomechanical behaviors were quantified using an empirical model derived from diffraction patterns, with experimental results showing reasonable agreement with finite element analysis. Various laser parameters were tested to assess their influences on the residual strains in the melt pools. The results revealed that the residual strain in the keyhole mode melt pool is relatively insensitive to variations in the parameters and is smaller than that in the melt pool created under conduction mode laser scanning. Additionally, we analyzed the shapes of individual diffraction spots, providing insights into the plastic behaviors and compositional developments in the resolidified alloy. The analysis confirmed that compositional variations in a dendritic microstructure manifest as asymmetric broadening of the diffraction spots.

Ni alloy 718↗
DOE OSTI2020

Laser powder bed fusion of Inconel 718 on 316 stainless steel

The joining of Inconel 718 and 316 stainless steel has notable industrial importance. However, traditional arc-welding has many issues. In particular, the formation of the detrimental Nb-rich Laves phase in the heat affected zone can promote crack initiation and propagation, which leads to poor mechanical properties. The small heat input and the rapid solidification of laser powder bed fusion (PBF) has the potential to suppress this problem. Despite the infancy of the multi-material PBF, it is of interest to investigate the relationship among the process parameter, the microstructure at the materials joining point, and the mechanical performance. In this study, we used high-speed x-ray imaging to in-situ monitor the printing of Inconel 718 tracks on a 316H SS substrate via laser powder bed fusion, followed by post-build characterization and testing with SEM, XRD and nanoindentation. We observed that a higher linear energy density resulted in a more diffused interface and a smaller compositional gradient, but as a trade-off, generated more keyhole pores and thermal cracks. Furthermore, we also showed that the built layer exhibited chemical inhomogeneity at two length scales: a tens-of-mu m-scale compositional vortex due to the melt flow, and a sub-mu m-scale Nb-rich dendritic structure due to the non-equilibrium solidification that led to the formation of the Laves phase. It was inferred that the chemical inhomogeneity may benefit the mechanical properties at the interface by providing more interlocking between the two materials and also by limiting the effect of the brittle Laves phase to potentially short range.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A stochastic scan strategy for grain structure control in complex geometries using electron beam powder bed fusion

Spatial control of microstructure within a three-dimensional component has been a dream of materials scientists for centuries. However, limitations in traditional manufacturing processes prevent detailed control over the distribution of microstructures in a single part. Here, we demonstrate the ability to control grain structure and crystallographic texture during metal additive manufacturing for arbitrary cross-sections of a practical size, with profound implications for the design and optimization of next-generation products. The key to this advance is a new geometry agnostic scan path algorithm that manipulates the spatial distribution of solidification conditions. Utilizing a fundamental understanding of solidification dynamics and a model of the heat transfer during processing, we have designed this algorithm to manipulate the natural competition between epitaxial dendrite growth and grain nucleation. With this algorithm, we successfully controlled the grain structure of Ni-based superalloy IN718 in the shape of the Mona Lisa.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Uncovering grain and subgrain microstructure at the scale of additive manufacturing melt tracks with a scalable cellular automaton solidification model

Metal additive manufacturing, characterized by rapid solidification, yields refined grains with a distinctive cellular subgrain microstructure that plays a pivotal role in determining material properties. Due to the significant computational expense demanded to simulate the required physics with submicron spatial resolution, their numerical simulations have been limited to proof-of-concept studies to either 2D or small subregions of a melt pool. In this study, an open-source, scalable, solidification code, muMatScale, based on the cellular automaton method, has been developed to predict the grain and the underlying subgrain microstructure over an entire melt pool. The model incorporates flexible parallelization schemes, utilizing MPI and OpenMP GPU Offloading, in addition to appropriate multi-physics specific to non-equilibrium rapid solidification in AM. The impact of nucleation parameters on grain microstructures was investigated with a focus on grain size variations and morphology transitions. With selected nucleation parameters, the simulation predicted the grain size, subgrain morphology, crystallographic orientation, and microsegregation aligned with experimental measurements. The model demonstrates that epitaxial grain growth is a dominant factor at the melt pool boundary, influencing grain size variation under different grain sizes in the build plate while maintaining consistent primary dendrite arm spacing under identical thermal conditions. Here, the highly efficient numerical model enables large-scale simulations with a spatial resolution of 100 nm or less, unveiling unprecedented insights into thermal and solutal diffusion driven grain growth, and the subgrains with microsegregation within grains in 3D across scales. muMatScale will enable the linking of submicron length-scale microstructure to part-level material behavior by investigating fundamental solidification problems at the intercellular scale in many-track and many-layer builds.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Surface and subsurface characterization of laser-interference structured Ti6Al4V

Ti6Al4V specimens were exposed to high-energy laser pulses of 1.24 J/cm 2 fluences per pulse using a two-beam optical configuration to attain laser-interference. In addition to the formation of periodic surface textures by laser-interference, scanning electron microscope (SEM) images demonstrated several microstructural changes on the surface processed. Moreover, the surface and subsurface of Ti6Al4V specimens were characterized for the as-received and laser-interference processed conditions using x-ray photoelectron spectroscopy (XPS) and electron energy dispersive spectroscopy (EDS). The XPS data showed that this laser technique is effective at removal of surface contaminants for Ti6Al4V. The XPS analysis also revealed the formation of an oxy-nitride layer on the laser treated material. Finally, the microstructure analysis indicates that grain refinement, dendrite and twin structures were found near the surface due to laser processing.

36 MATERIALS SCIENCE↗