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1. Data-driven electron-diffraction approach reveals local short-range ordering in CrCoNi with ordering effects

   https://doi.org/10.1038/s41467-022-34335-0  

   Hsiao, Haw-Wen; Feng, Rui; Ni, Haoyang; An, Ke; Poplawsky, Jonathan D.; Liaw, Peter K.; Zuo, Jian-Min (November 2022, Nature Communications)

   Abstract The exceptional mechanical strength of medium/high-entropy alloys has been attributed to hardening in random solid solutions. Here, we evidence non-random chemical mixing in a CrCoNi alloy, resulting from short-range ordering. A data-mining approach of electron nanodiffraction enabled the study, which is assisted by neutron scattering, atom probe tomography, and diffraction simulation using first-principles theory models. Two samples, one homogenized and one heat-treated, are observed. In both samples, results reveal two types of short-range-order inside nanoclusters that minimize the Cr–Cr nearest neighbors (L1₂) or segregate Cr on alternating close-packed planes (L1₁). The L1₁is predominant in the homogenized sample, while the L1₂formation is promoted by heat-treatment, with the latter being accompanied by a dramatic change in dislocation-slip behavior. These findings uncover short-range order and the resulted chemical heterogeneities behind the mechanical strength in CrCoNi, providing general opportunities for atomistic-structure study in concentrated alloys for the design of strong and ductile materials. 

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2. Simultaneously enhancing the ultimate strength and ductility of high-entropy alloys via short-range ordering

   https://doi.org/10.1038/s41467-021-25264-5  

   Chen, Shuai; Aitken, Zachary H.; Pattamatta, Subrahmanyam; Wu, Zhaoxuan; Yu, Zhi Gen; Srolovitz, David J.; Liaw, Peter K.; Zhang, Yong-Wei (December 2021, Nature Communications)

   Abstract Simultaneously enhancing strength and ductility of metals and alloys has been a tremendous challenge. Here, we investigate a CoCuFeNiPd high-entropy alloy (HEA), using a combination of Monte Carlo method, molecular dynamic simulation, and density-functional theory calculation. Our results show that this HEA is energetically favorable to undergo short-range ordering (SRO), and the SRO leads to a pseudo-composite microstructure, which surprisingly enhances both the ultimate strength and ductility. The SRO-induced composite microstructure consists of three categories of clusters: face-center-cubic-preferred (FCCP) clusters, indifferent clusters, and body-center-cubic-preferred (BCCP) clusters, with the indifferent clusters playing the role of the matrix, the FCCP clusters serving as hard fillers to enhance the strength, while the BCCP clusters acting as soft fillers to increase the ductility. Our work highlights the importance of SRO in influencing the mechanical properties of HEAs and presents a fascinating route for designing HEAs to achieve superior mechanical properties. 

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3. Deciphering chemical ordering in High Entropy Materials: A machine learning-accelerated high-throughput cluster expansion approach.

   https://doi.org/10.1016/j.actamat.2024.120137  

   Vazquez, Guillermo; Sauceda, Daniel; Arróyave, Raymundo (September 2024, Acta Materialia)

   The Cluster Expansion (CE) Method encounters significant computational challenges in multicomponent systems due to the computational expense of generating training data through density functional theory (DFT) calculations. This work aims to refine the cluster and structure selection processes to mitigate these challenges. We introduce a novel method that significantly reduces the computational load associated with the calculation of fitting parameters. This method employs a Graph Neural Network (GNN) model, leveraging the M3GNet network, which is trained using a select subset of DFT calculations at each ionic step. The trained surrogate model excels in predicting the volume and energy of the final structure for a relaxation run. By employing this model, we sample thousands of structures and fit a CE model to the energies of these GNN-relaxed structures. This approach, utilizing a large training dataset, effectively reduces the risk of overfitting, yielding a CE model with a root-mean-square error (RMSE) below 10 meV/atom. We validate our method’s effectiveness in two test cases: the (Ti, Cr, Zr, Mo, Hf, Ta)B2 diboride system and the Refractory High-Entropy Alloy (HEA) AlTiZrNbHfTa system. Our findings demonstrate the significant advantages of integrating a GNN model, specifically the M3GNet network, with CE methods for the efficient predictive analysis of chemical ordering in High Entropy Materials. The accelerating capabilities of the hybrid ML-CE approach to investigate the evolution of Short Range Ordering (SRO) in a large number of stoichiometric systems. Finally, we show how it is possible to correlate the strength of chemical ordering to easily accessible alloy parameters. 

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4. Solid state welding of medium-entropy CrCoNi with heterogeneous, partially recrystallized microstructures

   https://doi.org/10.1016/j.msea.2021.141425  

   Slone, C.E.; Barnett, B.; Georgin, B.; Vivek, A.; George, E.P.; Daehn, G.S.; Mills, M.J. (January 2021, Materials science engineering)

   Heterogeneous, partially recrystallized (PRX) microstructures have recently been used to improve strength-ductility combinations in high-entropy alloys. However, these microstructures are incompatible with conventional joining processes that require melting or prolonged exposure to elevated temperatures. This work presents an initial exploration of solid state joining in this challenging condition using vaporizing foil actuator welding (VFAW) applied to PRX equiatomic alloy CrCoNi. 

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5. Low alloy steel girth welds in X65 steel pipes internally clad with alloy 625: Part I: Materials selection and process development

   https://doi.org/10.1007/s40194-023-01661-w  

   Alvarez, Alejandro; Schmitz-Niederau, Martin; Weber, Hermann-Josef; Alexandrov, Boian T. (March 2024, Welding in the World)

   API 5L Grade X65 steel pipes, internally clad alloy 625, are commonly utilized in pipelines and risers for subsea oil and gas extraction. Gird welds in such pipes are conventionally made using alloy 625 filler metal. However, alloy 625 weld metal cannot meet the base metal yield strength overmatching requirement for subsea reel lay installation. This study explored materials selection and process development for low-alloy steel girth welds in API 5L Grade X65 steel pipes, internally clad with alloy 625. Welding with a higher melting point filler metal over a lower melting substrate, i.e., low-alloy steel over Ni-based alloy, is impractical due to increased susceptibility to solidification cracking and solidification shrinkage porosity. Pseudo-binary phase diagrams developed for various combinations of low alloy steel filler metals and Ni-based alloy substrates identified good compatibility between ER80S-G filler metal and alloy 686. The solidification temperature range and the tendency for partitioning of alloying elements were significantly lower throughout the entire ER80S-G/alloy 686 dilution range than in the low alloy steel filler metals/alloy 625 combinations. Extensive process optimization effort to reduce the dilution of alloy 686 root pass in the low-alloy steel weld metal and avoid incomplete fusion defects allowed for the production of defect-free girth welds. These welds met the yield strength and ductility requirements for subsea reel lay installation of pipelines. Process optimization for bead tempering significantly narrowed the high hardness region in the ER80S-G/alloy 686 partially mixed zone. 

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