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In this work, we report on the mechanical responses and fracture behavior ofpristine and defected monolayer 1T-Titanium Disulfide using classical moleculardynamics simulation. We investigated the effect of temperature, strain rate anddefect ratio on the uniaxial tensile properties in both armchair and zigzagdirection. We found that monolayer TiS2 shows isotropic uniaxial tensileproperties except for failure strain which is greater in zigzag direction thanarmchair direction. We also observed a negative correlation of ultimate tensilestrength, failure strain and young's modulus with temperature and defect ratio.Results depicts that strain rate has no effect on the young's modulus ofmonolayer TiS2 but higher strain rate results in higher ultimate tensilestrength and failure strain.

Atomic Scale Insights Into The Mechanical Characteristics of Monolayer 1T-Titanium Disulphide: A Molecular Dynamics Study