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| The Study on the Deformation Mechanisms and Mechanical Properties of TiN Nanorod under the Axial Tensile Process Based on Molecular Dynamic |
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Abstract The software package lammps based on molecular dynamic with Modified Embedded-Atom Method(2NN MEAM) is used to simulate the tensile fracture behavior of single crystal TiN nanorod. The mechanical property of TiN with different cross sections is analyzed under different strain rates and different temperatures along [100]、[111] directions. The tensile process is described in detail. The study has found that the tensile direction, cross section size, tension strain rate and temperature all have different effects on the tensile process, yield stress, elastic modulus of TiN nanorod. The larger the cross section, the lower the yield stress along [100] direction tension, however, the larger the cross section, the larger the yield stress along [111] direction tension. The yield stress and yield strain increase with strain rate, but strain rate has little effect on the yield modulus. When the temperature of simulation system rises, the yield stress, yield strain and yield modulus of TiN material tend to be smaller, but the fracture strain will be larger. Under different tension condition, the tensile process of TiN nanorod all contains elastic deformation, plastic deformation and fracture stage. The elastic modulus along [100] direction is always lager than that along [111] direction.
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Received: 15 November 2013
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2014, Vol. 35 
