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HomeMaterials Science ForumMaterials Science Forum Vols. 809-810First-Principle Studies of a High Entropy Solid...

First-Principle Studies of a High Entropy Solid Solution of AlCoCrCuFeNi_x with Different Mole Fractions of Ni

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Abstract:

The structural properties, elastic properties, and heat of formation of a high entropy alloy (HEA) of AlCoCrCuFeNi containing different mole fraction of Ni. The calculated results indicate that the lattice parameter decreased and the mass density increased as the mole fraction of Ni increased. The high entropy solid solutions AlCoCrCuFeNi_x using the FCC model are mechanically stable. The elastic properties have been deduced by Voigt-Reuss-Hill (VRH) approximations, and the calculated ratio of shear modulus to bulk modulus indicated that When the mole fraction of Ni was 0 in the FCC model, or 0.5 in both the BCC and FCC models, the high entropy solid solutions were considered ductile materials. All the HEAs are thermodynamically stable due to their negative heats of formation.

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2014 China Functional Materials Technology and Industry Forum

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Periodical:

Materials Science Forum (Volumes 809-810)

Pages:

419-425

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.809-810.419

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Online since:

December 2014

Authors:

Lan Xin Wang, Shan Yao*, Bin Wen

Keywords:

First-Principle Calculation, Heat of Formation, High Entropy Solid Solution, Mechanical Stability

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© 2015 Trans Tech Publications Ltd. All Rights Reserved

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