### Abstract

The tension process of single crystal Cu nano-rods with different cross section shapes were simulated by molecular dynamics at atomic scale. Based on centrosymmetry parameter method and combined with the dislocation nucleation theory, the effect of cross-section shape, cross-sectional area and slenderness ratio on the tensile mechanical properties of the nano-rods were analyzed, and the scale dependency of tensile mechanical properties of the single crystal Cu nano-rods has been studied. The results show that after first yield, the nano-rods produce plastic deformation under the "dislocation nucleation-extended dislocation and sliding-lattice atom cross-slip" mechanism of the alternating cycle. The geometry of cross-section has negligible effects on the tensile initial plasticity of the nano-rods, while it shows apparent effects on the tensile mechanical properties. With the increase of cross-sectional area, two types of nano-rods have the phenomenon of early yield point, yield strength decreases and Young's modulus increases. Compared with that of the square cross-sectional nano-rod, the variable rate of yield stress of the circular cross-sectional nano-rod is smaller and the variable rate of Young's modulus is larger. As the cross-sectional area increases to 500 nm^{2}, the Young's modulus of the two types of nano-rods become stable, and is close to the theoretical value of 84 GPa. Moreover, the slenderness ratio of he nano-rods has a slight effect on the tensile mechanical properties when the simulation size increased.

Original language | English |
---|---|

Pages (from-to) | 1173-1180 |

Number of pages | 8 |

Journal | Jinshu Xuebao/Acta Metallurgica Sinica |

Volume | 46 |

Issue number | 10 |

Publication status | Published - Oct 2010 |

Externally published | Yes |

### Fingerprint

### Cite this

*Jinshu Xuebao/Acta Metallurgica Sinica*,

*46*(10), 1173-1180.

}

*Jinshu Xuebao/Acta Metallurgica Sinica*, vol. 46, no. 10, pp. 1173-1180.

**Simulation of scale dependency on tensile mechanical properties of single crystal copper nano-rod.** / Bai, Qingshun; Tong, Zhen; Liang, Yingchun; Chen, Jiaxuan; Wang, Zhiguo.

Research output: Contribution to journal › Article

TY - JOUR

T1 - Simulation of scale dependency on tensile mechanical properties of single crystal copper nano-rod

AU - Bai, Qingshun

AU - Tong, Zhen

AU - Liang, Yingchun

AU - Chen, Jiaxuan

AU - Wang, Zhiguo

PY - 2010/10

Y1 - 2010/10

N2 - The tension process of single crystal Cu nano-rods with different cross section shapes were simulated by molecular dynamics at atomic scale. Based on centrosymmetry parameter method and combined with the dislocation nucleation theory, the effect of cross-section shape, cross-sectional area and slenderness ratio on the tensile mechanical properties of the nano-rods were analyzed, and the scale dependency of tensile mechanical properties of the single crystal Cu nano-rods has been studied. The results show that after first yield, the nano-rods produce plastic deformation under the "dislocation nucleation-extended dislocation and sliding-lattice atom cross-slip" mechanism of the alternating cycle. The geometry of cross-section has negligible effects on the tensile initial plasticity of the nano-rods, while it shows apparent effects on the tensile mechanical properties. With the increase of cross-sectional area, two types of nano-rods have the phenomenon of early yield point, yield strength decreases and Young's modulus increases. Compared with that of the square cross-sectional nano-rod, the variable rate of yield stress of the circular cross-sectional nano-rod is smaller and the variable rate of Young's modulus is larger. As the cross-sectional area increases to 500 nm2, the Young's modulus of the two types of nano-rods become stable, and is close to the theoretical value of 84 GPa. Moreover, the slenderness ratio of he nano-rods has a slight effect on the tensile mechanical properties when the simulation size increased.

AB - The tension process of single crystal Cu nano-rods with different cross section shapes were simulated by molecular dynamics at atomic scale. Based on centrosymmetry parameter method and combined with the dislocation nucleation theory, the effect of cross-section shape, cross-sectional area and slenderness ratio on the tensile mechanical properties of the nano-rods were analyzed, and the scale dependency of tensile mechanical properties of the single crystal Cu nano-rods has been studied. The results show that after first yield, the nano-rods produce plastic deformation under the "dislocation nucleation-extended dislocation and sliding-lattice atom cross-slip" mechanism of the alternating cycle. The geometry of cross-section has negligible effects on the tensile initial plasticity of the nano-rods, while it shows apparent effects on the tensile mechanical properties. With the increase of cross-sectional area, two types of nano-rods have the phenomenon of early yield point, yield strength decreases and Young's modulus increases. Compared with that of the square cross-sectional nano-rod, the variable rate of yield stress of the circular cross-sectional nano-rod is smaller and the variable rate of Young's modulus is larger. As the cross-sectional area increases to 500 nm2, the Young's modulus of the two types of nano-rods become stable, and is close to the theoretical value of 84 GPa. Moreover, the slenderness ratio of he nano-rods has a slight effect on the tensile mechanical properties when the simulation size increased.

KW - Dislocation nucleation

KW - Mechanical property

KW - Molecular dynamics

KW - Nano-rod

KW - Tension

UR - http://www.scopus.com/inward/record.url?scp=78649726256&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:78649726256

VL - 46

SP - 1173

EP - 1180

JO - Jinshu Xuebao/Acta Metallurgica Sinica

JF - Jinshu Xuebao/Acta Metallurgica Sinica

SN - 0412-1961

IS - 10

ER -