Design of High-Entropy Alloy: A Perspective from Nonideal Mixing

He, Quanfeng; Ding, Zhaoyi; Ye, Y.F.; Yang, Yong

doi:10.1007/s11837-017-2452-1

Cited by 82 publications

(37 citation statements)

References 52 publications

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“…in which c i is the atomic fraction of element i, r i the atomic radius of element i and n the total number of constituent elements. Later, the δ parameter was widely accepted as one of the empirical parameters to guide the design of HEAs because of the apparently good correlation between the value of the δ parameter and the general character of the phases formed in HEAs (Zhang et al, 2008;Guo and Liu, 2011;Ye et al, 2016b;He et al, 2017), seen Figure 2. However, the δ parameter fails when it comes to an accurate estimation of local lattice distortions.…”

Section: Hard Sphere Modelmentioning

confidence: 99%

On Lattice Distortion in High Entropy Alloys

Yang

2018

Front. Mater.

122

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Lattice distortion in high entropy alloys (HEAs) is an issue of fundamental importance but yet to be fully understood. In this article, we first focus on the recent research dedicated to lattice distortion in HEAs with an emphasis on the basic understanding derived from theoretical modeling and atomistic simulations. After that, we discuss the implications of the recent research findings on lattice distortion, which can be related to the phase transformation, dislocation dynamics and yielding in HEAs.

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Section: Hard Sphere Modelmentioning

confidence: 99%

On Lattice Distortion in High Entropy Alloys

Yang

2018

Front. Mater.

122

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“…24 Therefore, metastable phases have also been considered as one of the defining features of HEAs. 18 At the fundamental level, phase selection in alloys, including metastable phases, can be attributed to the shape of their potential energy landscape (PEL), [25][26][27][28][29] as illustrated in Fig. 1.…”

Section: Introductionmentioning

confidence: 99%

Machine learning guided appraisal and exploration of phase design for high entropy alloys

et al. 2019

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High entropy alloys (HEAs) and compositionally complex alloys (CCAs) have recently attracted great research interest because of their remarkable mechanical and physical properties. Although many useful HEAs or CCAs were reported, the rules of phase design, if there are any, which could guide alloy screening are still an open issue. In this work, we made a critical appraisal of the existing design rules commonly used by the academic community with different machine learning (ML) algorithms. Based on the artificial neural network algorithm, we were able to derive and extract a sensitivity matrix from the ML modeling, which enabled the quantitative assessment of how to tune a design parameter for the formation of a certain phase, such as solid solution, intermetallic, or amorphous phase. Furthermore, we explored the use of an extended set of new design parameters, which had not been considered before, for phase design in HEAs or CCAs with the ML modeling. To verify our ML-guided design rule, we performed various experiments and designed a series of alloys out of the Fe-Cr-Ni-Zr-Cu system. The outcomes of our experiments agree reasonably well with our predictions, which suggests that the ML-based techniques could be a useful tool in the future design of HEAs or CCAs.

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“…Moreover, it was recently shown that solely an increased (≥ 4, e.g.) number of constituting elements does not guarantees the formation of a random solid solution in a multi-principal element alloy and the alloy melting/processing temperatures and the interatomic correlations are of high importance [4].…”

Section: Introductionmentioning

confidence: 99%

A Mystery of "Sluggish Diffusion" in High-Entropy Alloys: The Truth or a Myth?

Divinski

Покоев

Esakkiraja

et al. 2018

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High entropy alloys (HEAs) are considered as a novel class of materials with a large number of components (five and more) available in equiatomic or nearly equatomic proportions.One of the characteristic properties of HEAs was believed to be so-called 'sluggish' diffusion that should be crucial for intended high-temperature technological applications. The faith on this myth instead of rigorous experimental analysis played such a dominant role that the first set of data on interdiffusion, in fact based on an improper analysis, were cited in hundreds of articles to state the presence of sluggishness of diffusion rates in high entropy alloys.In this review, the recent data on atomic diffusion in HEAs are presented and critically discussed. The discussion is focused on tracer diffusion which is already measured dominantly for polycrystalline, but in some cases for single crystalline high-entropy alloys. The radiotracer technique provided a unique access to the diffusion rates of elements in the alloys and in fortunate cases these transport quantities could be measured in a single experiment, as in the case of Co, Cr, Fe and Mn diffusion in the CoCrFeMnNi HEA.Alternatively, a rigorous analysis of the interdiffuson experiments, which provide the diffusion rates of chemical species, too, becomes more and more sophisticated for three and more elements in an alloy and it is challenging to derive physically sound quantities from a general multicomponent diffusion experiment. Most promising in this case is the diffusion couple technique, especially the so-called pseudo-binary approach. This approach is analyzed with a focus on the applicability and the possible errors induced if up-hill diffusion appears.In the overview, it is shown that atomic diffusion in HEAs cannot a priori be considered as sluggish and both atomic interactions as well as correlation effects are responsible for the observed trends. Even if estimated on the same homologous scale, the diffusion retardation induced by a 'high entropy' in FCC crystals is not simply proportional to the number of alloying components and it is shown to be similar to that induced by, e.g., the L1 2 ordering in a binary system. Furthermore, the importance of cross-correlations in diffusion of different species in HEAs is highlighted. * Since there is no consensus about the way to list the principal elements in HEAs (alphabetic order, periodic table order, atomic percentage, etc), we will use the simple alphabetic order, as e.g. CoCrFeMnNi for the Cantor system.

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Design of High-Entropy Alloy: A Perspective from Nonideal Mixing

Cited by 82 publications

References 52 publications

On Lattice Distortion in High Entropy Alloys

On Lattice Distortion in High Entropy Alloys

Machine learning guided appraisal and exploration of phase design for high entropy alloys

A Mystery of "Sluggish Diffusion" in High-Entropy Alloys: The Truth or a Myth?

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