Predictions of Mechanical Properties of Single Crystal Copper Nanorod with Multiscale Simulation Method
Nanometric uniaxial tension tests of single crystal copper nanorod are simulated using multiscale simulation method, which has combined molecular dynamics (MD) and finite element method (FEM). New tension models of nanorod are constructed. Tension processes of ideal nanorod without notches and that with notches are performed to analyze their mechanical properties. Deformation mechanism of tension process is discussed in detail. Yield strength and elastic modulus are calculated according to the obtained stress-strain curves. Finally, the results show that the notches have obvious influence on the mechanical properties of copper nanorod. Due to the existence of notches, the section area of single crystal nanorod decreases by 40%; however, the yield strength and elastic modulus decreases by 39.0% and 10.2% respectively in our simulations. This research is helpful for identifying the mechanical properties of single crystal copper nanorod, and for understanding the deformation mechanism of tension process of nanorod.
Y. C. Liang et al., "Predictions of Mechanical Properties of Single Crystal Copper Nanorod with Multiscale Simulation Method", Applied Mechanics and Materials, Vols. 44-47, pp. 2712-2716, 2011