Alloying effect on the elastic properties of refractory high-entropy alloys

• Published in: Materials & design Vol. 114; pp. 243 - 252
• Main Authors: Tian, Li-Yun, Wang, Guisheng, Harris, Joshua S., Irving, Douglas L., Zhao, Jijun, Vitos, Levente
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 2017
• Subjects: Alloying additive; Alloying effect; Alloying effects; Alloying elements; Distortion; Elastic constant; Elastic constants; High-entropy alloys; Lattice parameter; Local lattice distortion; Mathematical analysis; Orbitals; Trends; Elastic constant; High-entropy alloys; Alloying effect; Lattice parameter; Local lattice distortion

Ab initio total energy calculations are used to determine the elastic properties of TiZrVNb, TiZrNbMo and TiZrVNbMo high-entropy alloys in the body centered cubic (bcc) crystallographic phase. Calculations are performed using the Vienna Ab initio Simulation Package and the Exact Muffin-Tin Orbitals...