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武汉大学学报 英文版 | Wuhan University Journal of Natural Sciences
Wan Fang
Wuhan University
Latest Article
Effects of Strain Rate, Temperature and Grain Size on the Mechanical Properties and Microstructure Evolutions of Polycrystalline Nickel Nanowires: A Molecular Dynamics Simulation
RUAN Zhigang, WU Wenping, LI Nanlin
School of Civil Engineering, Wuhan University, Wuhan 430072, Hubei, China
Through molecular dynamics (MD) simulation, the dependencies of temperature, grain size and strain rate on the mechanical properties were studied. The simulation results demonstrated that the strain rate from 0.05 to 2 ns–1 affected the Young’s modulus of nickel nanowires slightly, whereas the yield stress increased. The Young’s modulus decreased approximately linearly; however, the yield stress firstly increased and subsequently dropped as the temperature increased. The Young’s modulus and yield stress increased as the mean grain size increased from 2.66 to 6.72 nm. Moreover, certain efforts have been made in the microstructure evolution with mechanical properties association under uniaxial tension. Certain phenomena such as the formation of twin structures, which were found in nanowires with larger grain size at higher strain rate and lower temperature, as well as the movement of grain boundaries and dislocation, were detected and discussed in detail. The results demonstrated that the plastic deformation was mainly accommodated by the motion of grain boundaries for smaller grain size. However, for larger grain size, the formations of stacking faults and twins were the main mechanisms of plastic deformation in the polycrystalline nickel nanowire.
Key words:polycrystalline nickel nanowires; mechanical properties; temperature; grain size; molecular dynamics (MD) simulation
CLC number:TB 12
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