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Multi-physics melt pool modeling and process optimization for laser direct energy deposition of Nb-based refractory C103: Defect formation, geometric precision, and process mapping

Recent developments in additive manufacturing (AM) technology have reignited interest in the fabrication of the Nb-based refractory C103 alloy offering solutions to the challenges posed by traditional manufacturing methods. However, the limited numerical and experimental studies on laser direct energy deposition (DED) of C103 have hindered the understanding of the relationships between process parameters and build quality. This has made it challenging to consistently produce parts with the desired quality and microstructure suitable for critical applications. In this study, we focus on optimizing the laser DED process for C103 by employing a hybrid approach that combines experimental techniques and computational fluid dynamics (CFD). This approach facilitates the development of process maps for defect detection and geometric precision. To achieve this, multi-layer C103 samples were fabricated using laser DED under various process parameters, enabling the creation of a process map for defect detection. Additionally, a multi-physics, multiphase simulation framework was developed within a high-performance computing (HPC) environment to establish process maps for geometric precision. Using these process maps, printability windows were identified for achieving both the desired geometric accuracy and defect-free prints. It was observed that prints with a power-to-velocity (P/V) ratio close to unity resulted in defect-free outcomes. This study provides a foundation for reducing design lead time and rejected parts, ultimately optimizing the laser DED process for C103.

Defect formation and geometric precision↗

Ultra-high temperature testing and performance of L-PBF C103

Additive Manufacturing (AM) of refractory alloys is gaining traction as a materials processing route for components subject to extreme temperature environments. Due to the low oxidation resistance of refractory alloys, novel methods for evaluating their elevated temperature performance must be developed. In this work, a Gleeble® 3800 thermomechanical load frame was modified to evaluate the mechanical properties of laser powder bed fusion (L-PBF) consolidated niobium alloy C103 ranging from room temperature (RT) to 1400 °C. The fixturing and sample geometry were designed to accommodate Joule heating and prevent damage to the test chamber. Oxidation of the samples was minimized via testing in vacuum level of 1E-5 Torr. Ultimate tensile strength (UTS), yield strength (YS), elongation, and strain-hardening behavior were determined as a function of temperature. L-PBF C103 presented an average UTS of ∼650 MPa and over 25 % elongation at RT. Above RT, the UTS and YS dropped then leveled off from 500 °C to 1000 °C with values ranging from ∼400 MPa to ∼460 MPa, which is consistent with dynamic strain aging observed in this class of alloys. The strength rapidly declined after 1200 °C to ∼150 MPa at 1400 °C. Fractography indicated ductile fractures for the C103 at all test temperatures, and Electron Backscatter Diffraction (EBSD) analysis revealed a textured microstructure and the presence of dynamic recrystallization within the necked region of the sample tested at 1400 °C.

33 ADVANCED PROPULSION SYSTEMS↗

Microstructural heterogeneities in additively manufactured refractory alloy C103 and their implications for room and elevated temperature mechanical behavior

Considering the vast component design space enabled by fusion-based additive manufacturing (F-BAM) processes, e.g., directed energy deposition (DED), the scale-up manufacturing of Nb-alloys with F-BAM is advantageous for structural applications. However, varying thermokinetic parameters-induced microstructural heterogeneities are prevalent within the F-BAM processed alloys. Such microstructural heterogeneities can have significant implications for the room and elevated temperature mechanical behavior. While a few studies investigating F-BAM processed alloy C103 are available, none of these studies investigate the microstructural heterogeneities – including those associated with solidification growth modes and second phase particles – and the effect thereof on the mechanical behavior. To this end, we investigate the microstructurally heterogeneous regions with varying solidification growth morphologies, segregation behavior, and second phase particle attributes within the laser-DED processed alloy C103. The implications of such heterogeneous regions for room- and elevated-temperature tensile behavior and damage mechanisms are revealed. Particularly, the interface between the cellular and planar region is identified as susceptible to deformation localization. The implications of hot isostatic pressing (HIP) for the consolidation behavior, microstructural evolution, and resulting mechanical behavior are also discussed. Although the recrystallization and grain growth led to a reduced yield strength in the HIPed condition, the homogenization of microstructure alleviated the deformation localization sites, such as the planar/cellular interface within the melt pool. The homogenized microstructure alongside the enhanced consolidation upon HIP led to an enhanced elongation to failure. Findings establish microstructural design considerations in F-BAM processed Nb alloys and also facilitate design of post-processing heat treatments for achieving improved mechanical properties.

36 MATERIALS SCIENCE↗

LQCD NN S-wave @ SU(3) on C103

This data contains lattice QCD data files for one- and two-nucleon correlation functions on the C103 ensemble. It also contains lattice QCD data sets needed to compute the HAL QCD potential on the same configurations. 'LQCD NN S-wave @ SU(3) on C103' Copyright (c) 2025, The Regents of the University of California, through Lawrence Berkeley National Laboratory (subject to receipt of any required approvals from the U.S. Dept. of Energy). All rights reserved. This work is openly licensed via CC BY 4.0.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Parameter development and characterization of laser powder directed energy deposition of Nb – Alloy C103 for thin wall geometries

This work focuses on the parameter development and microstructural characterization of Nb-based alloy C103 for thin wall structures produced via laser powder – directed energy deposition (LP – DED). Laser power and scanning speeds were varied as part of a design of experiments to identify adequate print parameters. Combinations were evaluated for relative density, porosity, and geometrical accuracy. A combination of a laser power of 1420 W and scanning speed of 14 mm/s resulted in a relative density >99%, exhibited a consistent weld bead profile and was used for further microstructural evaluation. A mix of optical and scanning electron microscopy (SEM) revealed small, slightly elongated grains along the edges and large epitaxial grains in the central region along the Build – Transverse view. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) analysis revealed Hf rich columnar cells in the center that transition into an evenly spaced cellular structure towards the edges of the built sample. Electron backscatter diffraction (EBSD) scans show a sharp [001] texture when looking at the cross section of the sample along the build direction. The Build – Scan view revealed a zig – zag pattern that follows the back – and – forth deposition strategy that was used. Finally, microhardness measurements were taken in the as – built (AB) and stress relieved (SR) conditions to baseline preliminary mechanical properties. The AB condition exhibited a large amount of scatter in the data and averages up to 11% larger than the SR condition. The reduction in scatter upon applying the SR cycle are indicative of a large concertation of dislocations present in the AB condition.

36 MATERIALS SCIENCE↗

On the Mechanical Behavior of LP-DED C103 Thin-Wall Structures

Laser Powder Directed Energy Deposition (LP-DED) can produce thin-wall features on the order of 1 mm. These features are essential for large structures operating in extreme environments such as regeneratively cooled nozzles and heat exchangers, which often make use of refractory metals. In this work, the mechanical behavior of LP-DED C103 was investigated via quasi-static tensile testing and low cycle fatigue (LCF) testing. The effects of vacuum stress relief (SR) and hot isostatic pressing (HIP) heat treatments were investigated for specimens in the vertical and horizontal build orientations during tensile testing. The AB and SR properties were lower than literature values for wrought and laser powder bed fusion (L-PBF) bulk components but higher than electron beam powder bed fusion (EB-PBF). The application of a HIP cycle improved strength by 7% and ductility by 27% past the initial as-built condition. Fracture images reveal that interlayer stress concentration sites are responsible for fracture in specimens in the vertical orientation. Meanwhile, fracture in the horizontal specimens mainly propagates at a slanted angle typical of plane stress conditions. The LCF results show cycles to failure ranging from 100 cycles to 8000 cycles for max strain levels of 2% and 0.5%, respectively. Fractography on the fatigue specimens reveals an increasing propagation zone as max strain levels are increased. The impact of these findings and future work are discussed in detail.

36 MATERIALS SCIENCE↗

Solidification cracking of refractory alloys: a computational and machine learning study to investigate composition-dependence for improved weldability and additive manufacturability

Large-batch numerical, CALculation of PHAse Diagrams (CALPHAD)-based solidification cracking calculations are performed and then analyzed with machine learning methods to generate models that relate chemistry of refractory alloys to cracking susceptibility. Kou’s solidification cracking index is used to study the refractory alloys including O, N, C binary mixtures with Mo, Ta, Nb, and W, the molybdenum-based TZM, Niobium-based C103, and Tantalum-based T111 and Ta-10 W, as well as hypothetical refractory ternary alloys. Findings strongly validate Kou’s Crack Susceptibility Index (CSI) against Varestraint test data for Nb- and Ta-based alloys, establishing CSI thresholds where refractory alloys with CSI < 15,000 K are likely weldable, CSI > 15,000 K are prone to cracking, and CSI > 25,000 K are likely unweldable (or unprintable). Furthermore, interstitial elements C, N, and O significantly increase crack susceptibility, with some existing material specifications coinciding with peak cracking susceptibility concentrations. Finally, machine learning-derived elemental potency factors enable rapid prediction of CSI from alloy chemistry for C103, TZM, Ta-10 W, and T-111 alloys. These results provide practical guidance for feedstock selection, powder reuse limits, and alloy specification amendments for welding and additive manufacturing applications.

36 MATERIALS SCIENCE↗

ADDITIVE MANUFACTURING OF REFRACTORY ALLOYS

Refractory alloys are known for their high temperature capabilities and are intended for use at ultra-high temperatures above even 1200°C, which exceeds the capabilities of conventional superalloys. Additive manufacturing (AM) is an attractive alternative processing route because refractory alloys are difficult to fabricate through traditional methods; AM can form a near net-shape part with a tailored microstructure. This work seeks to evaluate the solidification behavior of refractory alloys under AM conditions and establish corresponding solidification models. Two binary alloys, Mo30Nb and Nb7.5Ta, as well as the commercial Nb alloy, C103, and one refractory high entropy alloy (RHEA), MoNbTaTi, were subjected to single track melts in a laser powder bed fusion (LPBF) machine. Each melt track was evaluated in the scanning electron microscope (SEM), which determined that some AM conditions used led to non-ideal behavior. Electron backscatter diffraction (EBSD) revealed that the Nb7.5Ta, C103, and MoNbTaTi all exhibited new grain nucleation to various extents while the Mo30Nb exhibited primarily epitaxial growth. This was found to be inconsistent with solidification models that were developed for each alloy and each set of AM conditions to predict the columnar to equiaxed transition behavior (CET) of the experimental microstructures. This disparity was largely attributed to the input parameters for the solidification model, which were developed using Thermo-Calc and SYSWELD. These input parameters include the alloy specific Gibbs-Thomson coefficient and thermophysical properties, the solute specific liquidus slopes and partitioning coefficients, as well as the process specific thermal gradients. Each input parameter was evaluated to determine the likely changes required for the modeled values to generate solidification models that better correspond to what was observed experimentally.

Miklas, Abigail↗