Efficient exploration of the High Entropy Alloy composition-phase space

Abu-Odeh, Anas; Galván, Edgar; Kirk, Tanner; Mao, Haiyang; Chen, Qing; Mason, Paul; Malak, Richard J.; Arróyave, Raymundo

doi:10.1016/j.actamat.2018.04.012

Cited by 77 publications

(35 citation statements)

References 52 publications

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“…Researchers argue that phase stability is not an intrinsic property of a material, and hence kinetics and all of the competitive phases must be considered to predict stability. 26 However, the descriptors are implicitly related to Gibbs free energy, and that is the reason why some descriptors are also referred as 'empirical thermophysical parameters'. 27 For example, similar atomic radius usually means low strain energy, which reduces the enthalpy of mixing.…”

Section: Using Descriptorsmentioning

confidence: 99%

Review of high entropy ceramics: design, synthesis, structure and properties

2019

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Section: Using Descriptorsmentioning

confidence: 99%

Review of high entropy ceramics: design, synthesis, structure and properties

2019

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“…For more than two decades, binary and ternary alloys using practically every element in the periodic table have been tracked and their phase diagrams described with unprecedented accuracy, both experimentally and computationally ( [294][295][296]. The emergence of multi-component alloys (MCA) or (single-phase) high-entropy alloys (SP-HEA) in the present decade has boosted an immense and renewed interest in the stability, structural, electronic, elastic, magnetic, and thermodynamic properties of these combinations of several elements, none of which, in contrast to preceding alloying methodologies, can be said to be predominant [297][298][299][300][301]. Figure 18 shows an example of data retrieval from two heavily used and pioneering repositories after searching for W-C-Co.…”

Section: Data Miningmentioning

confidence: 99%

The Critical Raw Materials in Cutting Tools for Machining Applications: A Review

et al. 2020

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A variety of cutting tool materials are used for the contact mode mechanical machining of components under extreme conditions of stress, temperature and/or corrosion, including operations such as drilling, milling turning and so on. These demanding conditions impose a seriously high strain rate (an order of magnitude higher than forming), and this limits the useful life of cutting tools, especially single-point cutting tools. Tungsten carbide is the most popularly used cutting tool material, and unfortunately its main ingredients of W and Co are at high risk in terms of material supply and are listed among critical raw materials (CRMs) for EU, for which sustainable use should be addressed. This paper highlights the evolution and the trend of use of CRMs) in cutting tools for mechanical machining through a timely review. The focus of this review and its motivation was driven by the four following themes: (i) the discussion of newly emerging hybrid machining processes offering performance enhancements and longevity in terms of tool life (laser and cryogenic incorporation); (ii) the development and synthesis of new CRM substitutes to minimise the use of tungsten; (iii) the improvement of the recycling of worn tools; and (iv) the accelerated use of modelling and simulation to design long-lasting tools in the Industry-4.0 framework, circular economy and cyber secure manufacturing. It may be noted that the scope of this paper is not to represent a completely exhaustive document concerning cutting tools for mechanical processing, but to raise awareness and pave the way for innovative thinking on the use of critical materials in mechanical processing tools with the aim of developing smart, timely control strategies and mitigation measures to suppress the use of CRMs.

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“…This meta-stable L1 2 phase was not captured in the equilibrium thermodynamic calculations due to different driving forces for nucleation, as well as different nucleation barriers in different phases [38]. According to the recent comprehensive study of Abu-Odeh et al [39], the calculated phase equilibria of 71% of alloys (153 alloys out of 216 total studied alloys) using TCHEA1 (the database deigned for MPE alloys) matched the experiments. In another study, Tancret et al [40] have reported the predictive capability of TCNI7, TTNI8, TCFE8, and SSOL5 databases of Thermo-Calc.…”

Section: Phase Equilibria and Crystal Structures Of Mpe Alloysmentioning

confidence: 99%

A Review of Multi-Scale Computational Modeling Tools for Predicting Structures and Properties of Multi-Principal Element Alloys

Kivy

Hong

Zaeem

2019

Metals

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Multi-principal element (MPE) alloys can be designed to have outstanding properties for a variety of applications. However, because of the compositional and phase complexity of these alloys, the experimental efforts in this area have often utilized trial and error tests. Consequently, computational modeling and simulations have emerged as power tools to accelerate the study and design of MPE alloys while decreasing the experimental costs. In this article, various computational modeling tools (such as density functional theory calculations and atomistic simulations) used to study the nano/microstructures and properties (such as mechanical and magnetic properties) of MPE alloys are reviewed. The advantages and limitations of these computational tools are also discussed. This study aims to assist the researchers to identify the capabilities of the state-of-the-art computational modeling and simulations for MPE alloy research.

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Efficient exploration of the High Entropy Alloy composition-phase space

Cited by 77 publications

References 52 publications

Review of high entropy ceramics: design, synthesis, structure and properties

Review of high entropy ceramics: design, synthesis, structure and properties

The Critical Raw Materials in Cutting Tools for Machining Applications: A Review

A Review of Multi-Scale Computational Modeling Tools for Predicting Structures and Properties of Multi-Principal Element Alloys

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