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  1. High-temperature mechanical properties of a γ′-strengthened Co-based superalloy designed for additive manufacturing

    GammaPrint®-7001 is a recently developed high γ′ (∼70% volume fraction) CoNi-based superalloy designed to combine high-temperature mechanical performance with laser powder bed fusion processability. Room-temperature yield strength ranged from 610 to 658 MPa and increased to 661 MPa (longitudinal) and 730 MPa (transverse) at 760 °C. The creep behavior compared favorably to high-γ′ Ni-based superalloys manufactured via laser powder bed fusion such as Incoloy® 939 and Inconel® 738LC.2 In-situ neutron diffraction data measured during creep revealed that plastic deformation was largely localized to the γ phase at 760 °C, allowing the γ’ phase to elastically compensate and maintain creep strainmore » resistance. However, at 900 °C, this load sharing behavior was weakened, contributing to accelerated creep rate and rupture.« less
  2. Modeling low cycle fatigue (LCF) of additively manufactured Hastelloy X using An accelerated crystal plasticity fatigue damage model

    This paper presents a microstructure-based model for low cycle fatigue (LCF) behavior and life of Nickel-based alloy Hastelloy X manufactured using laser-powder bed fusion (L-PBF) additive manufacturing (AM). AM Hastelloy X, a solution-strengthened alloy, is tested at elevated temperature under fully reversed LCF conditions at different strain levels. A generalized plane strain finite element model is generated from electron backscatter diffraction (EBSD) characterization. The constitutive behavior of the material under fatigue is modeled using crystal plasticity and calibrated with both monotonic tensile and cyclic stress–strain data. The fatigue micro-crack initiation and propagation in the microstructure is modeled using a modifiedmore » Chaboche fatigue damage model. An embedded boundary condition with a homogenous medium is used to apply the cyclic deformation and prevent numerically introduced over-constraints during fatigue simulation. A ‘cycle-jump’ method is used to accelerate the fatigue simulation and reduce the computational cost. The simulation results are compared to LCF experiments, showing satisfactory matches in cyclic stress behavior and number of cycles to macro-crack initiation for all applied strain ranges. In addition, the model illustrates the potential for quantifying microscale fatigue life impacting factors such as microstructure and surface roughness, which is needed to accurately quantify the reliability of AM components in service.« less
  3. Design of Silicide-Strengthened Nb–Si–Cr–(Mo) alloys for additive manufacturing

    Three high–intermetallic volume Nb–Si–Cr–(Mo) alloys were designed using CALPHAD modeling with the goal of identifying high–specific strength, oxidation-resistant alloys that can be additively manufactured using powder bed fusion. The silicides Nb5Si3 and Nb9Si2Cr3 were targeted as the primary strengthening phases, and the addition of Cr promoted the NbCr2 phase. These alloys were cast and surface-processed with electron beam welding at different speeds to simulate additive manufacturing, and the phases and microstructures of both cast and welded regions were characterized. The weld processing was found to produce fine-grained microstructures in each alloy with fine-scale intermetallics uniformly distributed among a body-centered cubicmore » Nb matrix. Microstructural refinement and hardness were found to increase with weld velocity; one alloy reached its highest hardness of approximately 16 GPa before the brittleness at higher velocities became detrimental. One alloy was found to be qualitatively the least brittle while also attaining a hardness of 13 GPa and was therefore identified as a good candidate for additive manufacturing.« less
  4. Microstructure-sensitive mechanical behavior of an additively manufactured psuedoelastic shape memory alloy

    The additive manufacturing of shape memory alloys into complex geometries enables fabrication of advanced functional systems across a variety of fields and domains. This work presents results focused on the mechanical behavior of additively manufactured shape memory pseudoelastic NiTi. The deformation induced solid state phase transformation from austenite to martensite allows this system to accommodate large recoverable strains. This deformation behavior is fundamentally driven by crystal-scale transformation physics. Laser powder bed fusion processing reveals that the resulting microstructure, both grain morphology and crystallographic texture, is strongly dependent on the manufacturing processing history. Exhaustive mechanical testing demonstrates that these microstructural factorsmore » strongly impact both tensile and cyclic stress–strain behavior. Cyclic dissipative behavior, however, is similar across all tested microstructures following an initial transient period. Remarkably, analysis of spatial strain fields during tensile loading reveals two distinctly different localization “modes”. The first is initiation of localized deformation bands which continuously propagate through the tensile bar during loading. In the second mode localization is observed but lacks propagation; instead additional localization cites nucleate during subsequent loading. The latter phenomena is suspected to be driven by grain-scale deformation physics as the localized band morphologies coincide with grain morphologies. These phenomena strongly impact the resulting aggregate stress–strain behavior. Hence, manufacturers and designers of psuedoelastic functional components must at the very least consider the potential variability in properties when considering additive manufacturing processing. More ideally the process–structure–property relations can be used to further tailor and optimize final functional performance.« less
  5. Denoising diffusion probabilistic models for generative alloy design

    Inverse material design is an extremely challenging optimization task made difficult by, in part, the highly nonlinear relationship linking performance with composition. Quantitative approaches have improved significantly owing to advances in high throughput experimentation and computational thermodynamics. However, existing physics-based tools are mostly forward models; input a chemistry and obtain a prediction. More recently the materials community has leveraged advances in the machine learning community to establish novel inverse design frameworks. Very recently denoising diffusion probabilistic models have been shown to be extremely powerful generators producing synthetic data of various modalities e.g. images, text, audio, tables, etc.. In this workmore » a novel framework for alloy design and optimization is proposed leveraging these class of models. Five key generative tasks are demonstrated (1) unconditional generation (2) composition conditioned generation (3) property conditioned generation (4) multi-feedstock conditioned generation and (5) generative optimization. These methods were tested on three case studies: high entropy alloy design, superalloy binder jet additive manufacturing, and in-situ dual-feedstock wire-arc additive manufacturing. Results indicate that the established models are extremely flexible, expressive, and robust. The architecture’s flexibility and training procedure empower the model to learn complex intra-compositional and composition-property relationships. Furthermore, the probabilistic nature of these models makes them well suited for addressing solution non-uniqueness and tackling uncertainty quantification tasks. While the fidelity and quantity of the underlying training data is paramount, we envision that future alloy design frameworks will make extensive use of these kinds of machine learning models as “search” tools bolstering the utility of experimental and computational approaches.« less
  6. A Gaussian Process-Based extended Goldak heat source model for finite element simulation of laser powder bed fusion additive manufacturing process

    In this study, laser powder bed fusion (L-PBF) additive manufacturing (AM) is a key enabling technology to manufacture highly complex and integrated metallic structures. In L-PBF AM process, the melting of the metal powders and the layers underneath can be governed by either “conduction mode” or “keyhole mode”, with the keyhole mode reportedly leading to porosity and decreased strength and ductility by many studies. In part scale simulations, finite element (FE) model is often used to study the temperature distribution during printing and to predict the residual stress, where a volumetric heat flux with a Gaussian or a double ellipsoidalmore » (Goldak) distribution is often applied as the laser heat source. However, the above heat source models can only capture the melt pool shape in the conduction mode, and fail to capture the transition to keyhole melting mode when the process parameters change. To overcome this inaccuracy, an extended Goldak heat source model is proposed by introducing a laser penetration term as a function of laser parameters obtained from a Gaussian-Process (GP) model. The model is validated by “2D pad” AlSi10Mg L-PBF experiments under a wide range of laser power, scan speed, and laser focus offset, and the results show the model successfully captures the measured melt pool shape in all conditions.« less
  7. Outlook on texture evolution in additively manufactured stainless steels: Prospects for hydrogen embrittlement resistance, overview of mechanical, and solidification behavior

    Abstract Realizing application specific manufacture with fusion-based additive manufacturing (F-BAM) processes requires understanding of the physical phenomena that drive evolution of microstructural attributes, such as texture. Current approaches for understanding texture evolution in F-BAM are majorly considerate of the phenomena occurring only during solidification. This hinders the comprehensive understanding and control of texture during F-BAM. In this perspective article, we discuss several physical phenomena occurring during and after solidification that can determine texture in F-BAM processed stainless steels (SS). A crystal plasticity-coupled hydrogen adsorption-diffusion modeling framework is also leveraged to demonstrate the prospects of grain boundary engineering with F-BAM formore » enhanced hydrogen embrittlement resistance of SS. Implications of varying thermokinetics in F-BAM for solidification behavior of SS are discussed. Additionally, microstructural attributes that are key to high temperature mechanical performance of SS are highlighted. Considerations as outlined in this perspective article will enable grain boundary engineering and application specific microstructural design of SS with F-BAM. Graphical abstract« less
  8. Self-supervised learning of spatiotemporal thermal signatures in additive manufacturing using reduced order physics models and transformers

    Microstructure control via additive manufacturing has enormous potential as manufacturers, materials scientists, and designers alike seek to exploit novel fabrication technologies to improve component performance. Recent works have demonstrated the feasibility of producing materials with controlled microstructures across various length scales. However, the experimental approach towards exploring the process-structure space can be laborious and costly. This is particularly true if also considering scan pattern optimization which is well suited for processes such as powder bed fusion electron beam melting. In this work we propose an approach for encoding additive manufacturing layer-wise thermal response signatures using self-supervised representation learning. Thermal simulationsmore » from a reduced order model are utilized to estimate the spatiotemporal response during printing. A machine learning framework, using video-transformers, is utilized to efficiently distill spatiotemporal patterns into a compact latent space representation. This latent state representation encodes the relevant physics which is then utilized to establish a data-driven process-structure model for an additively manufactured Ni-based superalloy. In conclusion, the proposed methodology could potentially be used towards in-situ process monitoring, scan pattern experimental design, and component qualification.« less
  9. Considering interplay between multiple physical phenomena to elucidate single crystal-like texture, phase transformations, and mechanical behavior of directed energy deposited SS316L

    A widespread implementation of large scale additive manufacturing (AM) processes, such as wire arc-directed energy deposition (WA-DED) AM can transform the current manufacturing supply chain networks. Naturally, such implementation requires control of the microstructural attributes, such as texture and phase evolution in the processed alloys. Currently, the texture evolution in fusion-based AM (F-BAM) processes is majorly rationalized by the phenomena occurring only during solidification. However, such rationalization is insufficient for understanding the evolution of primary and secondary crystallographic orientations, and consequently, fails to offer a comprehensive understanding and control of overall texture in F-BAM processed alloys. To this end, wemore » report a single crystal (SX)-like texture in WA-DED processed SS316L for the first time. Furthermore, we assess the physical phenomena that may lead to such unique microstructural evolution during WA-DED AM. Subsequently, using microstructural characterization spanning the build height and thermomechanical simulations we investigate the effect of competitive growth and epitaxial growth occurring during solidification and thermally induced plastic deformation occurring post solidification on the overall texture of WA-DED processed SS316L. A spatial variation in solidification pathway is also established and correlated with variation in undercoolings across the build. Tensile tests revealed a strong orientation dependence of deformation mechanisms with over 110% elongation to failure of specimens deformed along <011>. Such anisotropy is rationalized using Schmid's analysis of dislocation slip and deformation twinning. Importantly, overall, the mechanisms outlined in this work will facilitate an enhanced understanding and subsequent control of texture evolution, solidification behavior and mechanical behavior of WA-DED processed steels.« less
  10. Digital polycrystalline microstructure generation using diffusion probabilistic models

    Accurate micromechanical simulation of polycrystalline materials requires a realistic digital representation of the grain scale microstructure. Here, this work demonstrates the use of a generative diffusion probabilistic model for synthesizing single phase polycrystalline realizations. The model performs well and is capable of producing realistic microstructures consisting of not just simple equiaxed structures but also structures exhibiting more complex spatial arrangements. Masked microstructure generation reveals that the model is context aware of morphological descriptors which may be encoded in the latent space. Training on more diverse data sets, with scaled up architectures, may enable development of future models capable of synthesizingmore » even more complex microstructural features.« less
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"Fernandez-Zelaia, Patxi"

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