Author:Phasha, MJ; Bolokang, Amogelang S; Kebede, Mesfin ADate:Feb 2021Density-functional theory (DFT) based first-principles calculations were used to investigate the crystal structure, binding energy, phase stability and elastic properties of body-centered cubic (BCC) W-based binary solid solutions. The effect ...Read more
Author:Phasha, MJ; Ngoepe, PE; Chauke, HR; Pettifor, DR; Nguyen-Mann, DDate:Jun 2010The first principles pseudopotential calculations based on the PerdeweBurkeeErnzerhof (PBE) form of generalized gradient approximation (GGA) within density functional theory (DFT) have been utilized to investigate the structural and elastic ...Read more