Compressive and tensile properties of Ar-doped carbon nano-peapods

The compressive and tensile properties of the carbon nano-peapods that are doped with Ar atoms outside, inside, or both outside and inside its C60 fullerenes are investigated by the MD (molecular dynamics) method. According to the calculated results the effects of the Ar-doped type and amount on the mechanical properties of the nano-peapod was discussed systematically. It is shown that: (1) the Ar-doped nano-peapods have better compression-support capability than the undoped one and the more Ar atoms are doped, the better the compressive properties are. (2) when the same amount of Ar atoms are doped, the nano-peapod with Ar-atoms doped both outside and inside the C60 fullerenes has the best compressive properties and the one doped only outside the C60 fullerenes has the worst compressive properties. (3) the Ar-doped type and amount seem to have little effect on the tensile properties of these investigated Ar-doped carbon nano-peapods.