NbTaTiV: A new refractory high entropy alloy developed with an integrated computational and experimental design
In collaboration with Prof. Peter Liaw's group at University of Tennessee, we recently designed a new single-phase BCC refractory high-entropy alloy (HEA) NbTaTiV. The novel HEA exhibits high yield strength and ductility at both room and high temperatures. First-principles approaches based on density functional theory (DFT) provided critical information on the thermodynamic stability and lattice distortions in the alloy design. Integrated with the CALPHAD method and in situ structural characterizations, a heat-treatment process was developed that eliminates structural and chemical inhomogeneity.
"Lattice distortion in a strong and ductile refractory high-entropy alloy", Acta Materialia, 160, 158-172 (2018) [PDF]