Mechanical and Thermal Properties of Low-Density Al20+xCr20-xMo20-yTi20V20+y Alloys

Crystals

Uttam Bhandari¹  Congyan Zhang¹  Shizhong Yang¹ 

[1]Department of Computer Science, Southern University and A&M College, Baton Rouge, LA 70813, USA

关键词: density functional theory;    phase diagram;    high-entropy alloy;    mechanical and thermal properties;   

DOI  :  10.3390/cryst10040278

来源: DOAJ

【 摘 要 】

Refractory high-entropy alloys (RHEAs) Al_20+xCr_20-xMo_20-yTi₂₀V_20+y ((x, y) = (0, 0), (0, 10), and (10, 15)) were computationally studied to obtain a low density and a better mechanical property. The density functional theory (DFT) method was employed to compute the structural and mechanical properties of the alloys, based on a large unit cell model of randomly distributed elements. Debye–Grüneisen theory was used to study the thermal properties of Al_20+xCr_20-xMo_20-yTi₂₀V_20+y. The phase diagram calculation shows that all three RHEAs have a single body-centered cubic (BCC) structure at high temperatures ranging from 1000 K to 2000 K. The RHEA Al₃₀Cr₁₀Mo₅Ti₂₀V₃₅ has shown a low density of 5.16 g/cm³ and a hardness of 5.56 GPa. The studied RHEAs could be potential candidates for high-temperature application materials where high hardness, ductility, and low density are required.

【 授权许可】

Unknown