THERMAL SCIENCE

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Wen-Yu Qian

,

Chen Yu

FIRST-PRINCIPLES APPROACH TO THE MECHANICAL PROPERTIES OF AL2CUX ALLOYS

ABSTRACT
The mechanical properties of Al2CuX (X = Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd) alloys have been studied using the first-principles calculation. By analyzing the mechanical stability, it was found that Al2CuRh and Al2CuCd are mechanically unstable, and Al2CuPd and Al2CuAg do not satisfy the Voigt-Reuss-Hill theory. Therefore, in this work only studies the mechanical properties of Al2CuX (X = Y, Zr, Nb, Mo, Tc, Ru), we found the bulk modulus, shear modulus, Young's modulus and Vickers hardness and Pugh's modulus ratio of Al2CuX are increases, while the Poisson's ratio decreases. In summary, studying the mechanical properties of Al2CuX provides more options for optimal design and advanced applications of Al alloys
KEYWORDS
fist-principles, mechanical stability, Elastic modulus, alloys, Vickers hardness
PAPER SUBMITTED: 2023-12-12
PAPER REVISED: 2024-05-12
PAPER ACCEPTED: 2024-05-12
PUBLISHED ONLINE: 2025-07-06
DOI REFERENCE: https://doi.org/10.2298/TSCI2503927Q
CITATION EXPORT: view in browser or download as text file
THERMAL SCIENCE YEAR 2025, VOLUME 29, ISSUE Issue 3, PAGES [1927 - 1934]
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First-principles approach to the mechanical properties of Al2CuX alloys

2025 Society of Thermal Engineers of Serbia. Published by the Vinča Institute of Nuclear Sciences, National Institute of the Republic of Serbia, Belgrade, Serbia. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution-NonCommercial-NoDerivs 4.0 International licence