Author:Modiba, Rosinah M; Chauke, HR; Ngoepe, PEDate:Sep 2017The ab initio density functional theory approach was employed to study the effect of Ni, Ir or Pd addition to the TiPt shape memory alloy. The supercell approach in VASP was used to substitute Pt with 6.25, 18.75, 25.00, 31.25 and 43.75 at.% ...Read more
Author:Modiba, Rosinah M; Chauke, HR; Ngoepe, PEDate:Sep 2017The ab initio density functional theory approach was employed to study the effect of Ni, Ir or Pd addition to the TiPt shape memory alloy. The supercell approach in VASP was used to substitute Pt with 6.25, 18.75, 25.00, 31.25 and 43.75 at.% ...Read more