Computational Analysis of Gold–Platinum Nanowires Subjected to Uniaxial Tensile Loading

Gold–platinum (AuPt) nanosystem shows promising characteristics in catalysis, sensing and therapeutics. In this work, the impact of alloying Pt with Au on selective mechanical properties (i.e. Young’s modulus, yield strength, modulus of resilience and ultimate tensile strength) has been examined using molecular dynamic simulations. Models of AuPt nanowires were developed for discrete compositions varying from 0 to 100% Pt in Au. The effect of change in temperature on the mechanical properties of AuPt nanowires subjected to tensile loading has also been included in this study. Though the hardness and strength of Pt are superior and incomparable to Au, the addition of Pt in Au behaves differently. It has been observed that the addition of up to 25% Pt in Au (3Au–Pt) reduces both strength and elastic energy absorption, with a subsequent increase in these properties beyond this concentration. Corresponding mechanical properties approach those of pure Au when the Pt concentration exceeds 50% in Au. With further increase in content of Pt by 75% (Au–3Pt), the elastic modulus becomes comparable to that of pure Pt. However, this enhancement is accompanied by a reduction in yield strength, modulus of resilience and ultimate tensile strength. The obtained results show distinct features of the AuPt nanowires in both the elastic and plastic regions.