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

Our results have demonstrated that the tensile strength increases linearly with the carbon concentration increasing, which indicates that the addition of sufficient carbon element can effectively enhance the tensile strength of graphene/Ti compounds with different phases. [Display omitted] •It is found that the introduction of carbon element can induce the transition from non-magnetic to magnetic of titanium alloys with different phases.•Our results have demonstrated that the mechanical parameters, such as bulk modulus B, shear modulus G and Young’s modulus E almost linearly increase with the increase of carbon concentration, differently, the Poisson’s ratio ν is decreased monotonously with the carbon concentration increasing.•Our results have demonstrated that the tensile strength of different phase graphene/Ti compounds in the zigzag and armchair directions is significantly enhanced when we increase the concentration of carbon.•Our results indicate that a novel type of graphene/Ti-based compounds with ultra-high tensile strength and high toughness can be obtained simultaneously by controlling the carbon concentration. 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 significantly enhanced with the carbon concentration increasing. Differently, although the B/G ratio and Poisson’s ratio ν are dropped monotonously, both methods indicate that these compounds are ductile materials except for graphene0.533/ω-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 marine engineering and aerospace industry.