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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Unravelling fast-charging degradation in NMC/Gr pouch cells: Lithium plating and SEI properties

As fast-charging technology expands across the electric vehicle and emerging energy-storage applications, understanding its impact on battery performance and longevity is critical. In this study, 1.8 Ah LiNi 0.6 Mn 0.2 Co 0.2 O 2 /graphite pouch cells were charged at various charging rates (0.5C, 2C, 4C, and 6C) to investigate the degradation mechanisms. Our results showed that well-designed NMC/Gr pouch cells could reach over 1000 cycles with a 2C charging rate, while only reaching around 500 cycles with 4C and 6C charging rates. Fast-charging effects on NMC and graphite electrodes were obtained through a series of post-mortem characterizations, including electrochemical impedance spectroscopy (EIS), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS). Although higher charging rates cause pulverization of NMC secondary particles, the dominant degradation mechanism driving the fading of fast-charging-related performance lies in the graphite anode, where lithium plating and LiF-rich solid electrolyte interphase (SEI) formation result in Li inventory loss and impedance growth. The postmortem results suggest that the formation of a LiF-rich SEI, which exacerbates anode impedance and some irreversible Li + ion loss, is likely driven by the substantial decomposition of PF 6 − during fast charging, an effect often overlooked in smaller laboratory-scale studies.

Luo, Mei [Argonne National Laboratory (ANL), Argon↗
DOE OSTI2023

Achieving superior mechanical properties: Tailoring multicomponent microstructure in AISI 9254 spring steel through a two-stage Q&P process and nanoscale carbide integration

In the pursuit of lightweight, durable steel, we have successfully developed a multicomponent structure in AISI 9254 spring steel using a two-stage quenching and partitioning (Q&P) process. The primary objective of this process was to engineer an optimized microstructure consisting of nanobainite, martensite, and nano-carbides. Utilizing the insights gained from the results of advanced techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and atom probe tomography (APT) performed on the as-received AISI 9254 spring steel, we refined the quenching and partitioning (Q&P) path, leading to the successful establishment of a bainitic transformation for superior mechanical properties. Our tensile tests revealed a high yield strength (≈ 1600 ± 25 MPa) and ultimate tensile strength (≈ 1850 ± 50 MPa), along with considerable elongation (≈ 11.15 ± 0.25%). We also identified that pre-formed martensite lath defects and high silicon content play crucial roles during the Q&P process, preventing carbide coalescence and increasing strain-hardening capacity. Finally, this study demonstrates the potential of a Q&P process to generate high-strength, ductile steel for automotive and aerospace applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microscopy modality transfer of steel microstructures: Inferring scanning electron micrographs from optical microscopy using generative AI

Scanning electron microscopy (SEM) is resource intensive, which limits its throughput in some applications. As an alternative, we propose applying computer vision and machine learning to generate high-quality synthetic SEM micrographs from micrographs obtained using light optical microscopy (LOM). Working with a correlated LOM/SEM dataset of dual-phase steel images, we test generative models of various architectures, including encoder-decoder networks, generative adversarial networks (GANs), and diffusion-based models. We find that the diffusion models significantly outperform other methods on both qualitative and quantitative assessments, while preserving key metallurgical meaning. This work establishes diffusion as the state-of-the-art for microscopy modality transfer and demonstrates the potential of AI-powered microscopy to enhance LOM with micron scale structural recreation.

Computer vision↗
DOE OSTI2021

Radiolysis of thermally dehydrated gibbsite

Aluminum hydroxide (gibbsite, Al (OH) 3 ) powders and their thermally dehydrated forms were rehydrated and irradiated with gamma rays to examine the effects of the collapse of the crystalline gibbsite structure as it is converted to alumina on the transport of precursors of molecular hydrogen to the surface. The amount of hydrogen gas, H 2 , production from irradiated gibbsite and its transition phases with adsorbed water increased substantially with increasing temperature for dehydration of the samples, up to a point. Furthermore, the production of H 2 for samples without water was considerably lower than the hydrated samples signifying the importance of surface water and the transport of precursors to the surface. EPR spectroscopy showed that the major radiolytic products are trapped electrons and related O – centers. Thermal gravimetric analysis (TGA) measurements of gibbsite dehydration established the temperatures of phase transitions from gibbsite to alumina. Changes to the surface and structure of gibbsite and its transition phases following irradiation were analyzed using nitrogen adsorption, powder X-ray diffraction (pXRD), Raman spectroscopy, electron paramagnetic resonance (EPR), and scanning electron microscopy (SEM). pXRD and Raman spectra showed amorphorization at about 300 °C, coupled to a substantial increase in specific surface area due to increasing porosity.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Nondestructive ultrasonic characterization of a triple-weld-bead wire arc additively manufactured ER70S-6 S-curved wall

Understanding build-scale microstructural variation in wire arc additive manufacturing (WAAM) of low-carbon steels is essential for ensuring consistent structure–property relationships throughout large components. Conventional destructive characterization techniques, such as scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD), are time-intensive and limited to localized regions, making comprehensive evaluation of large WAAM structures challenging. In this study, a nondestructive ultrasonic approach was employed to characterize a 252 mm tall ER70S-6 S-curved WAAM wall produced using a triple-bead deposition strategy. Optical and SEM analysis revealed a repeating dual-region microstructure consisting of uniform polygonal ferrite at melt pool centers and heterogeneous ferrite with coarse and fine grains near melt pool boundaries, attributed to cyclic thermal conditions. Longitudinal ultrasonic backscatter imaging was used to evaluate the continuity of this periodicity along the full build height. The ultrasonic response exhibited a consistent repeating pattern that correlated with the observed layer-wise microstructural variation. X-ray computed tomography confirmed the absence of detectable porosity, indicating that ultrasonic contrast is primarily governed by grain morphology. Overall, the results indicate that longitudinal backscatter ultrasound is a promising nondestructive characterization technique for validating microstructural variations along the s-curved WAAM wall, with significant potential for microstructure optimization and process control.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Study of synergistic effects and compositional dependence of hydrogen evolution reaction on MoxNiy alloy thin films in alkaline media

In this paper hydrogen evolution reaction (HER) on the molybdenum-nickel thin films has been studied. The Mo x Ni y thin films were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). A change in the crystal structure of the samples prepared at different temperatures was observed. The structure of the samples prepared at 25 °C are bcc or amorphous. The structure of alloys sputtered at 800 °C changed to fcc. Tafel plots were constructed for each Mo x Ni y alloy sample. The mechanism of HER was determined from Tafel slope analysis. Values of charge transfer resistance were also determined by impedance spectroscopy. The compositional dependence of activity and the stability of Mo x Ni y thin films in 1 M NaOH were determined by cycling and chronoamperometry. Our results demonstrate that Mo x Ni y thin films prepared at 800 °C show significantly improved activity compared to pure Mo and Ni metals. On the other hand, Mo x Ni y thin films sputtered at 25°C do not show increased activity in comparison to pure Ni metal. Furthermore, this points to a synergistic effect between fcc Mo and fcc Ni in thin films sputtered at elevated temperatures. Mo 63 Ni 67 thin films alloy prepared at 800 °C shows the best values of catalytic activity for HER from all investigated compositions.

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

Rapid macrovoid characterization in membranes prepared via nonsolvent-induced phase separation: A comparison between 2D and 3D techniques

Optimizing the performance of asymmetric membranes prepared via nonsolvent-induced phase separation (NIPS) requires a quantitative understanding of how processing variables influence membrane morphology. Presently, the most useful structural quantification techniques require 3D visualization of the membrane structure and are best suited for studies seeking detailed information on small datasets. This study proposes and validates a rapid and accurate technique for quantifying macroporosity (i.e., D m ), a simple descriptor of sublayer macrovoid content in asymmetric membranes D m . values measured from segmented cross-sectional imaging performed via X-ray computed tomography (XCT) and scanning electron microscopy (SEM) are presented and compared for three asymmetric membranes prepared from commercial polymers. Importantly, analyses of 3D XCT membrane reconstructions reveal that D m is described by a single, centralized mean, which demonstrates that macrovoid content is spatially homogenous. Thus, D m can be approximated from limited sampling of the 2D cross-sectional membrane structure via SEM. A proposed 2D SEM sampling method provides D m estimates within ±6% of corresponding 3D XCT values with 30 independent measurements for the three membranes. Further sensitivity is achieved using complementary descriptors such as macrovoid count density (i.e., C m ). This technique is thus a useful tool for characterizing macroporosity from a broad selection of membrane samples.

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

Application of GO anchored mediator in a polymer electrolyte membrane for high-rate solid-state supercapacitors

Here, we synthesized a novel polymer electrolyte membrane by combining poly (vinylidene fluoride) (PVDF) and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) with graphene oxide (GO) nanosheets and a lithium salt of tungstosilicic acid (Li 4 SiW 12 O 40 , hereafter, referred to SiWLi). The impact of the addition of GO/SiWLi on the microstructure and morphology of the membrane were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). We found that adding the GO/SiWLi to the PVDF/LiTFSI polymer electrolyte membrane significantly reduced the pore size. Furthermore, the addition of the GO/SiWLi resulted in not only an increase of the ionic conductivity from 0.87 $\times$ 10 –2 to 3.12 $\times$ 10 –2 Scm –1 but also an increase in the lithium-ion transference number from 0.52 to 0.87. The polymer electrolyte membranes with and without GO/SiWLi were utilized to fabricate solid-state supercapacitors. The supercapacitors fabricated with the membrane containing GO/SiWLi displayed 37.2% lower equivalent series resistance and 88.2% greater specific capacitance than those fabricated using the membrane without GO/SiWLi at 200mVs –1 .

42 ENGINEERING↗
DOE OSTI2023

Scalable aqueous-phase fabrication of reduced graphene oxide nanofiltration membranes by an integrated roll-to-roll (R2R) process

Economic fractionation of multicomponent biomass-derived streams is a key challenge in biobased fuels and chemicals production. Kraft black liquor (BL) is generated at ~1 billion tons/yr globally from biomass pulping and contains ~15wt% total solids including lignin, hemicellulose fragments, and inorganics. Membrane-based BL concentration is attractive but challenged by low solute rejections and poor stability in BL, which combines alkaline pH (~13), high dissolved solids content (15+ wt%) and high temperature (70–85°C). Here we discuss the scaled fabrication and characterization of reduced graphene oxide (rGO) nanofiltration membranes by slot die coating on a roll-to-roll (R2R) with integrated vacuum filtration. Here, we obtain high-quality 90×30 cm rGO membranes (referred to as “R2R-rGO membranes” in this work) with ~100 nm average thickness supported on porous poly(ethersulfone) (PES) sheets, and an effective area of 2700cm 2 . We present characterizations of their microstructure and uniformity as mapped over large areas by scanning electron microscopy (SEM), ellipsometry, adhesion test and X-ray photoelectron spectroscopy (XPS). The constructed ellipsometry model for the rGO membrane/PES substrate composite was successfully applied to 48 different locations of the R2R-rGO membranes. The R2R-rGO membranes showed >98% lignin rejection with a steady state flux of ~12 LMH at 50bar in a 15.7wt% total solids (TS) kraft BL stream at 72°C and 2–3 gal/min crossflow rates. Slot die coating on a R2R platform with integrated vacuum filtration can enable rapid fabrication of high-quality GO membranes at scale without organic solvents or volatile organic compounds.

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

Characterization of multi-material 316L-Hastelloy X fabricated via laser powder-bed fusion

The aim of this work is to provide firsthand knowledge of 316 L stainless steel (316 L) and Hastelloy X (HX) multi-material processing via laser powder bed fusion (PBF). Specifically, microstructure of the interface is studied using scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), and X-ray diffraction (XRD). Surface metrology is performed to characterize the resulting surface roughness at the interface followed by tensile and flexural testing of multi-material samples to characterize the mechanical properties of the interfaces. Results showed that use of proper process parameters for each individual material led to formation of a compositional gradient at the interface that stretched for 240 μm (10–12 layers) with no evidence of cracking or porosity. The interface exhibited higher surface roughness compared to 316 L or HX as measured by arithmetic mean height, Sa, and maximum valley depth, Sv, parameters. During tensile testing, samples failed in the 316 L region away from the interface, with comparable yield strength, ultimate strength, and ductility. Finally, it was concluded that the “naturally” formed interface created a compositional gradient which was defect free due to similar values of coefficient of thermal expansion, input energy density, and different Marangoni numbers of the materials.

316L stainless Steel↗
DOE OSTI2022

The performance of additively manufactured Haynes 282 in supercritical CO 2

The use of supercritical carbon dioxide (sCO 2 ) as a working fluid is garnering interest in next generation power production systems due to the possibility of increased operational efficiencies and lower associated costs. Its implementation requires alloys with excellent high temperature strength and corrosion resistance, which makes Haynes 282® (H282) a suitable candidate. With increasing adoption of additive manufacturing (AM) in the energy industry, there is a need to investigate long-term sCO2 exposure on AM produced materials. Additively manufactured H282 (AM-H282) samples built using laser powder bed fusion in two different orientations were analyzed through imaging, gravimetric analysis, and room-temperature tensile testing before and after 1000-h exposure to CO 2 at 750 °C and 20 MPa. Performed imaging included observation of the sample surfaces and of the material bulk (cross sections) through means of Scanning Electron Microscopy (SEM) and optical microscopy. In comparison to wrought H282, it was found that the exposed material exhibited a similar Cr 2 O 3 oxide protective layer about 2 μm in thickness with additional top-surface TiO 2 oxide and carbon-rich precipitates. It was also similarly observed that internal oxidation was present but limited to a depth of 20 μm, and a 1–3 μm γ’ denuded region appeared to surround all internal and surface oxidation. Thermal aging effects were noted with the precipitation of needle-like structures in the γ/γ’ matrix and a coarsening of the γ’ precipitates from 28 nm to 73 nm. Mass measurements analyzing oxide precipitation revealed a larger increase compared to wrought, representing an approximate 20% difference. Tensile testing results showed similar behavior to wrought with a slight increase in yield strength and a large reduction in elongation in the exposed samples.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Capturing the softening in T91 steel annealed with molten LBE through interfacial gradient plasticity

In order to study the effect of annealing with molten lead–bismuth eutectic alloy (mLBE) on the mechanical properties of T91 steel, micropillar compression tests were analyzed through the consideration of mechanical interface energy terms within gradient plasticity. The stress–strain curves of the micropillars showed significant stochastic effects, characterized by a different elastic and plastic behavior response for each pillar. Among the various pillars, some exhibited a similar trilinear behavior. Scanning electron microscopy (SEM) images of these specimens demonstrated localized slip deformation and slip planes after compression, while transmission electron microscopy (TEM) images showed the presence of a severe slip zone along the random grain boundaries (RGBs), indicating that the GBs played a dominant role in the deformation/slip. By employing interfacial gradient plasticity that can explicitly account for the presence of GBs, the trilinear response was captured, allowing for the determination of the mechanical interface parameter. As anticipated the pillars which underwent severe slip at the GBs had a lower value for the mechanical interface parameter. Finally, annealing with mLBE can, therefore, in some cases result in softening in the overall stress–strain, as it lowers the mechanical interface energy of GBs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electrospraying deposition and characterization of potassium chloride targets for nuclear science measurements

Natural and isotopically enriched KCl targets were prepared using specially formulated KCl solutions, deposited by electrospraying on thin (1.5 μm) gold backings, followed by a short annealing in a preheated (350-450 °C) furnace. Various techniques, such as X-ray fluorescence (XRF), scanning electron microscopy (SEM) imaging, and energy-dispersive X-ray spectroscopy (EDS), were used to characterize the produced targets. A white neutron beam at the Los Alamos Neutron Science Center (LANSCE) facility was also used to verify the estimated atomic percentages of the enriched 40 KCl targets. KCl was deposited relatively uniformly as large particles rather than films on the gold surface. As a result, this method can be broadly extended to make stable targets that are difficult to produce with other methods and more exotic radioactive targets required for research in fundamental sciences and applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Combustion-assisted ink-jet printing of nuclear targets

Advances in target fabrication are critical to high-precision measurements in nuclear physics. This work details the preparation of patterned CeO 2 and ThO 2 architectures and thin-film targets via ink-jet deposition of combustible solutions. The produced targets were characterized by scanning electron microscopy (SEM), and by alpha-particle spectroscopy for radioactive targets to determine densities. Ink jet printing of the targets, used both ethanol and 2-methoxyethanol as solvents, with cerium or thorium nitrate as the oxidizer and acetylacetone as the fuel. Additionally, we found that the distance between each droplet dispersion (step size) played the most significant role in determining the final pattern uniformity and thickness. A 50 μm step size leads to relatively thick targets with a density of 350 μg/cm 2 . Significant overlap in droplet sizes leads to a heterogeneous target with an undesirable cracked surface structure. In contrast, 150 μm spacing yields thinner (20 μg/cm 2 ) patterned structures with excellent surface coverage. This method of Ink-jet printing provides a straightforward, scalable, and high-efficiency pathway to prepare custom made, high-quality targets for nuclear physics experiments.

CeO2↗
DOE OSTI2020

Exploration of Sn 70 Li 30 alloy as possible material for flowing liquid metal plasma facing components

As an advanced alternative to solid materials, Liquid Metals (LM) may offer more resilient and feasible Plasma Facing Components (PFCs). Particularly, regarding the unavoidable material erosion/degradation produced by particle/heat fluxes in future fusion devices where much longer duty cycles are expected. Furthermore, configurations that propose a flowing LM surface can add the advantage of a continuously fresh and clean layer facing the plasma. Although lithium is the most widely tested option, tin-lithium (SnLi) alloys have been proposed to attempt to combine the positive characteristics of both pure elements and ameliorate the specific issues of lithium. In this work, the potential use of Sn70Li30 alloy in such flowing concepts has been explored by addressing several preliminary and mandatory aspects for its utilization. Key issues such as wettability and compatibility of the alloy with relevant substrates have been studied in a multidisciplinary approach. The data obtained from deposited liquid tin-lithium droplets indicates approximate wetting temperatures of 360 °C, 390 °C and 405 °C for the fresh alloy on 316 stainless steel, molybdenum, and tungsten, respectively. However, the alloy contamination appeared to strongly affect the wetting characteristics of materials, increasing their wetting temperature by ~130 °C in the worst observed cases. Interestingly, in some instances, the instability of the liquid alloy surface was observed in the form of sudden gaseous ejection. The deposited droplets were posteriorly characterized in terms of absolute composition and depth profile by Inductively Coupled PlasmaOptical Emission Spectroscopy (ICP-OES) and Secondary Ion Mass Spectrometry (SIMS-ToF). Additionally, the nature and composition of the boundaries between the substrates and alloy microparticles was investigated by Scanning Electron Microscopy (SEM), Energy Dispersive X-Ray Spectroscopy (EDS), and 3D Laser microscopy. The overall results of this post-mortem characterization revealed that first signs of corrosion induced by both alloy elements (lithium-chromium association and iron-tin intermetallic mixing) were present on 316 stainless steel after short exposures (≤3 h) at temperatures lower than 550 °C. Conversely, molybdenum and tungsten showed good compatibility with the alloy in equivalent conditions. The global implications of these results are finally addressed, focusing on the future perspectives and the more viable scenarios for the eventual utilization of these alloys in flowing liquid metal configurations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Analysis of fission product distribution and composition in the TRISO layers of AGR-2 fuel

The Advanced Gas Reactor Fuel Qualification and Development Program's second irradiation experiment focuses on the performance of fuel particles produced in an industrial-scale coating system. Ongoing post-irradiation examination efforts include exploration of tristructural-isotropic (TRISO)-coated particle fuel in the as-irradiated state and subjected to elevated temperatures to simulate accident conditions (safety testing). Scanning electron microscopy (SEM) analysis with energy dispersive x-ray spectroscopy (EDS) was used to show the distribution of fission products within the TRISO layers. The SEM analysis showed a variation of fission product distribution within the TRISO layers based on irradiation temperature, burnup, individual particle fission product inventory retention, safety testing history and kernel composition. Finally, a key observation is that particles which likely experienced higher temperature showed a greater diversity and distribution of fission products and actinides in the IPyC and SiC layers, implying that temperature is a dominant variable influencing the transport of radionuclides in TRISO particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Spark plasma sintering of fuel meats for U 3 O 8 based dispersion fuels

Research and test reactors often use dispersion-type fuel due to its increased thermal conductivity and burn-up capabilities compared to conventional fuel. Al-U 3 O 8 (aluminumtriuranium octaoxide) dispersion fuels have several advantages over their competitors, such as higher service temperature and better stability of oxygen stoichiometry. However, the two-step fabrication of dispersion fuel causes undesirable porosity in cold-pressed fuel meats that is preserved in co-extruded fuel plates. To combat this, spark plasma sintering (SPS) was used for the fabrication of Al-15, 20, and 30 vol% U 3 O 8 and 8 and 12 vol% Mo-U 3 O 8 fuel meats for the Al-U 3 O 8 time. The in situ SPS data was used to construct and validate Master Sintering Curves (MSCs) with accuracies in Al fuels at 0.02 g/cm 3 , and Mo fuels at 0.07 and 0.17 g/cm 3 . The as-sintered fuel meats were characterised using x-ray diffraction (XRD) and scanning electron microscopy (SEM) to understand chemical and physical changes following the SPS process. The pellets exhibited very high relative densities, the U 3 O 8 was observed to undergo reduction to UO 2 .

Aluminium↗
DOE OSTI2025

Design of novel refractory equiatomic multi-principal elemental alloys based on Mo-Nb-Ti system for Gen IV reactor applications

Excellent irradiation damage resistance demonstrated by multi-principal elemental alloys (MPEAs) has sparked significant interest among researchers, prompting exploration into their vast compositional space, to validate their suitability for nuclear applications. A combined approach of thermodynamic and empirical parameters calculations alongside CALPHAD (CALculation of PHAse Diagrams) for phase formation predictions enable high-throughput material selection for sophisticated applications like nuclear, overcoming laborious and time-consuming experiments. Key thermodynamic and empirical parameters for eight novel equiatomic MPEAs, based on seven low thermal neutron cross section refractory elements, for predicting phase formation were calculated, and equilibrium and non-equilibrium simulations in CALPHAD were employed to comprehensively model the systems. Pseudo binary phase diagram simulations showed that Zr, V or equiatomic CrV additions to the base MoNbTi alloy (MoNbTi-Zr, MoNbTi-V and MoNbTi-CrV alloys) favor the formation of isomorphous body-centered cubic (BCC) phase at high temperatures, while Cr, Al, equiatomic ZrV, or equiatomic CrAl additions (MoNbTi-Cr, MoNbTi-Al, MoNbTi-ZrV or MoNbTi-CrAl alloys) limit the solubility of them. Equilibrium CALPHAD simulations at 750 oC were consistent with XRD results on MoNbTi, MoNbTiZr and MoNbTiCr alloys, and partially for others. Notably, elemental segregation observed in the backscattered electron (BSE) scanning electron microscopy (SEM) images of the alloys was accurately simulated through non-equilibrium Scheil solidification calculations in CALPHAD, further verified by experiments. The precipitation of TiCr2 Laves phase in Cr containing MoNbTiCr and MoNbTiCrAl was accurately predicted while discrepancies were noted in MoNbTiCrV. The equilibrium simulations also provided insights into phase compositions at specific temperatures offering a pathway for tailoring the desired microstructure and properties of these systems. Empirical parameters calculations successfully predicted random solid solution in the base MoNbTi alloy, and with an exception in MoNbTiV and MoNbTiAl, predicted intermetallic precipitation in the rest, especially, Laves phase precipitation in Cr containing alloys.

36 - MATERIALS SCIENCE↗