TY - JOUR
TI - First-principles approach to the mechanical properties of Al2CuX alloys
AU - Qian Wen-Yu
AU - Yu Chen
JN - Thermal Science
PY - 2025
VL - 29
IS - 3
SP - 1927
EP - 1934
PT - Article
AB - 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