Nickel aluminum is known to have low density, good thermal conductivity, oxidation resistance, and high melting temperature. Current research is carried out to determine the maximum stress value and modulus of elasticity and then compare the value between crystal and amorphous structures and determine the mechanism of changes in the structure of NiAl alloys when tensile test simulations are carried out.
The research method used is molecular dynamics simulation. The graph of the stress value of the crystal structure is higher than that of the amorphous structure, this is because the amorphous structure has an uneven arrangement of atoms which causes molecular mobility and large energy present in the amorphous structure. The maximum voltage value of the crystal is 20.08 ± 0.02% GPa with a modulus of elasticity bcc of 58.54 ± 0.001% GPa and fcc 94.66 ± 0.003% GPa and amorphous maximum voltage value of 3.1 ± 0.1% GPa and the modulus of elasticity is 67.02 ± 0.003% GPa. The crystal structure undergoes 4 mechanisms of structural change, namely bcc, fcc, hcp and amorphous, while amorphous does not undergo a mechanism of structural change. Comparison of maximum stress values and modulus of elasticity of crystalline and amorphous 6.48 ± 0.04% GPa. Comparison of modulus of elasticity of bcc with fcc 1.62 ± 0.2% GPa. Bcc with amorphous 1.14 ± 0.4% GPa. Fcc with an amorphous 1.41 ± 0.2% GPa
