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Severe lattice distortion is a prominent feature of high-entropy alloys (HEAs) considered a reason for many of those alloys’ properties. Nevertheless, accurate characterizations of lattice distortion are still scarce to only cover a tiny fraction of HEA’s giant composition space due to the expensive experimental or computational costs. Here we present a physics-informed statistical model to efficiently produce high-throughput lattice distortion predictions for refractory non-dilute/high-entropy alloys (RHEAs) in a 10-element composition space. The model offers improved accuracy over conventional methods for fast estimates of lattice distortion by making predictions based on physical properties of interatomic bonding rather than atomic size mismatch of pure elements. The modeling of lattice distortion also implements a predictive model for yield strengths of RHEAs validated by various sets of experimental data. Combining our previous model on intrinsic ductility, a data mining design framework is demonstrated for efficient exploration of strong and ductile single-phase RHEAs.

 

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.

 

This paper presents a bilinear log model, for predicting temperature-dependent ultimate strength of high-entropy alloys (HEAs) based on 21 HEA compositions. We consider the break temperature,T_break, introduced in the model, an important parameter for design of materials with attractive high-temperature properties, one warranting inclusion in alloy specifications. For reliable operation, the operating temperature of alloys may need to stay belowT_break. We introduce a technique of global optimization, one enabling concurrent optimization of model parameters over low-temperature and high-temperature regimes. Furthermore, we suggest a general framework for joint optimization of alloy properties, capable of accounting for physics-based dependencies, and show how a special case can be formulated to address the identification of HEAs offering attractive ultimate strength. We advocate for the selection of an optimization technique suitable for the problem at hand and the data available, and for properly accounting for the underlying sources of variations.

 

Multicomponent high‐entropy alloys (HEAs) can be tuned to a simple phase with some unique alloy characteristics. HEAs with body‐centered‐cubic (BCC) or hexagonal‐close‐packed (HCP) structures are proven to possess high strength and hardness but low ductility. The faced‐centered‐cubic (FCC) HEAs present considerable ductility, excellent corrosion and radiation resistance. However, their strengths are relatively low. Therefore, the strategy of strengthening the ductile FCC matrix phase is usually adopted to design HEAs with excellent performance. Among various strengthening methods, precipitation strengthening plays a dazzling role since the characteristics of multiple principal elements and slow diffusion effect of elements in HEAs provide a chance to form fine and stable nanoscale precipitates, pushing the strengths of the alloys to new high levels. This paper summarizes and review the recent progress in nanoprecipitate‐strengthened HEAs and their strengthening mechanisms. The alloy‐design strategies and control of the nanoscale precipitates in HEAs are highlighted. The future works on the related aspects are outlined.

 

Refractory high‐entropy alloys (RHEAs) show promising applications at high temperatures. However, achieving high strengths at elevated temperatures above 1173K is still challenging due to heat softening. Using intrinsic material characteristics as the alloy‐design principles, a single‐phase body‐centered‐cubic (BCC) CrMoNbV RHEA with high‐temperature strengths (beyond 1000 MPa at 1273 K) is designed, superior to other reported RHEAs as well as conventional superalloys. The origin of the high‐temperature strength is revealed by in situ neutron scattering, transmission‐electron microscopy, and first‐principles calculations. The CrMoNbV's elevated‐temperature strength retention up to 1273 K arises from its large atomic‐size and elastic‐modulus mismatches, the insensitive temperature dependence of elastic constants, and the dominance of non‐screw character dislocations caused by the strong solute pinning, which makes the solid‐solution strengthening pronounced. The alloy‐design principles and the insights in this study pave the way to design RHEAs with outstanding high‐temperature strength.

 

Severe distortion is one of the four core effects in single‐phase high‐entropy alloys (HEAs) and contributes significantly to the yield strength. However, the connection between the atomic‐scale lattice distortion and macro‐scale mechanical properties through experimental verification has yet to be fully achieved, owing to two critical challenges: 1) the difficulty in the development of homogeneous single‐phase solid‐solution HEAs and 2) the ambiguity in describing the lattice distortion and related measurements and calculations. A single‐phase body‐centered‐cubic (BCC) refractory HEA, NbTaTiVZr, using thermodynamic modeling coupled with experimental verifications, is developed. Compared to the previously developed single‐phase NbTaTiV HEA, the NbTaTiVZr HEA shows a higher yield strength and comparable plasticity. The increase in yield strength is systematically and quantitatively studied in terms of lattice distortion using a theoretical model, first‐principles calculations, synchrotron X‐ray/neutron diffraction, atom‐probe tomography, and scanning transmission electron microscopy techniques. These results demonstrate that severe lattice distortion is a core factor for developing high strengths in refractory HEAs.

 

Abstract Fracture dictates the service limits of metallic structures. Damage tolerance of materials may be characterized by fracture toughness rigorously developed from fracture mechanics, or less rigorous yet more easily obtained impact toughness (or impact energy as a variant). Given the promise of high-entropy alloys (HEAs) in structural and damage-tolerance applications, we compiled a dataset of fracture toughness and impact toughness/energy from the literature till the end of the 2022 calendar year. The dataset is subdivided into three categories, i.e., fracture toughness, impact toughness, and impact energy, which contain 153, 14, and 78 distinct data records, respectively. On top of the alloy chemistry and measured fracture quantities, each data record also documents the factors influential to fracture. Examples are material-processing history, phase structures, grain sizes, uniaxial tensile properties, such as yield strength and elongation, and testing conditions. Data records with comparable conditions are graphically visualized by plots. The dataset is hosted in Materials Cloud, an open data repository.