PAPER TITLE :EFFECT OF SUBSTITUTING PT WITH X (X = MG, V, NI, CR, TI) ON ELASTIC AND ELECTRONIC PROPERTIES OF PT3AL AND PT3SC ALLOYS

FUTA JOURNAL OF RESEARCH IN SCIENCE | VOLUME 15 NUMBER 1 2019

Paper Details

  • Author(s) : A. I. Popoola
  • Abstract:

Structural materials for airplanes and other space bound turbines are of lower weight (≈ 4g.cm-3). Both L12-Pt3Al and L12-Pt3Sc are good high temperature structural materials. The use of these materials to manufacture space based turbine components has been limited by their weight, which is well above 10g.cm-3. The density functional theory calculation method have been performed to investigate the mechanical and electronic properties of L12-Pt3Al and L12-Pt3Sc in which Pt has been substituted with light weight elements such as Mg, V, Ni, Cr or Ti. The element with highest weight reduction prediction is Ti, followed by Mg, V, Ni and Cr respectively.  Both L12-Pt3Al and L12-Pt3Sc would become elastically unstable when about 66% of Pt is substituted with Cr or Ti. All the elements (Mg, Ti, V, Cr, Ni) would lead to strength reduction in L12-Pt3Al and L12-Pt3Sc. Anisotropy is predicted in L12-Pt3Al but not in L12-Pt3Sc when about 33% of Pt is replaced with Ti and at about 66% of Pt replaced with Cr. Overall, substituting Pt with Ti and V should lead to ductility improvements in L12-Pt3Al and L12-Pt3Sc.
 
Keywords: density functional theory; anisotropy; ductility; strength; phase stability