Enhancement of the magnetic and mechanical properties by introducing element carbon for Ti-based alloy

The structural stability, electronic, magnetic and mechanical properties of graphene/Ti compounds with different phases have been systematically investigated by first principles. Interestingly, one can found that the mechanical parameters of these compounds, such as bulk modulus B, shear modulus G and Young's modulus E almost linearly increase with the increase of carbon concentration. Based on the stretching model, we found that the tensile strength of different phase graphene/Ti compounds in the zigzag and armchair directions is signifi-cantly enhanced with the carbon concentration increasing. Differently, although the B/G ratio and Poisson's ratio nu are dropped monotonously, both methods indicate that these compounds are ductile materials except for graphene0.533/omega-Ti0.467. Additionally, the introduction of carbon can induce the transition from non-magnetic to magnetic of titanium alloys with different phases. Our results have revealed that the introduction of carbon improves the tensile strength-toughness compatibility of Ti-based compounds for potential applications in ma-rine engineering and aerospace industry.