The tensile and shear behaviors of Al

3

Ti single crystal were analyzed by molecular dynamic method.The deformation processes of Al

3

Ti were simulated at room temperature and constant strain rate

and the effects of temperature and strain rate on the tensile and shear properties of the system were described.The results reveal that Al

3

Ti shows brittle characteristics at room temperature

and the rapid development of voids and dislocations produced by Al

3

Ti in a short period of time after the elastic deformation stage is responsible for material failure.With the increase of temperature

mechanical properties of the single crystal Al

3

Ti

such as tensile strength and Young’s modulus

shear strength and shear modulus

are decreased

while with the increase of strain rate

the tensile strength and shear strength of the Al

3

Ti are improved

and the Young’s modulus and shear modulus are independent.