Atomistic Simulation of Tension-Compression Asymmetry in Defect-Free Nickel Nanocrystals

A.R. Setoodeh, H. Attariani, T. Taghizadeh Salari, and H. Navaei Rad (Iran)


Nickel nanocrystal, Nanoscale Modelling, Molecular Dynamics, Volume/area ratio


In this paper the mechanical properties of a metallic nanowire are calculated using molecular dynamics (MD) method. Initially, a solid FCC metallic nanowire is modeled in nano-scale. The mechanical behavior of specimen under uniaxial tension loading is simulated. In this stage, the mechanical properties of material such as yield stress, strain and Young’s modulus are calculated and the deformed shape of uniaxial loading is investigated. The effects of strain rate and volume/area ratio on the mechanical properties are discussed. Also, the complementary results are presented for mechanical behavior of nickel nanowires in compression using molecular dynamic method. Furthermore, the effects of strain rate and volume/area ratio on the compressive yield stress are studied and compared with the results of tensile test. In this stage, by introducing the ration of tensile yield stress and compressive yield stress ( σ σ ), a general relation between volume/area ratio and tensile/ compressive yield stress is obtained.

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