The mechanical properties of pure metals and alloy Fe-Ni with various compositions have been simulated. The lammps molecular dynamics code was used to compute those physical properties: Ultimate Tensile Strength (UTS) and modulus of elasticity. At temperature 300K the UTS of iron is 8.173 GPa and for nickel is 11.645 GPa. At temperature 300K the elastic modulus of iron is 133.984 GPa and 122.321 GPa for nickel. From the simulation it known that the higher of Ni content, the lower the Ultimate Tensile Strength (UTS) of FeNi alloy and modulus of elasticity. The highest UTS and modulus of elasticity were found in the Fe-5% Ni alloy at the value of 7.960 GPa and 114.978 GPa respectively.

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