SILE PROPERTIES OF MONOCRYSTALLINE GOLD FILM USING MOLECULAR DYNAMICS SIMULATION

Tran The Van; Tran Anh Son

Tran The Van Hung Yen University of Technology and Education
Tran Anh Son Hung Yen University of Technology and Education

Keywords: Molecular dynamics, tensile strength, monocrystalline gold

Abstract

In this paper, the tensile properties of the monocrystalline gold film are studied by using molecular dynamics simulation. The stress-strain relation, crack growth behavior and effects of different temperature are considered. The results show that the stress concentration is obviously distributed in the middle and corners of the specimen, leading to the cracks are formed and propagated in these positions. Under the tensile process, the transformation from the face-centered cubic (FCC) into hexagonal closest packed (HCP) structures occurred. From the stress-strain diagram, the tensile strength and Young’s modulus values decreased with increasing temperature. The RDF is decreased with a higher temperature.

References

Díez-Pascual, A. M., Gómez-Fatou, M. A., Ania, F., & Flores, A. Nanoindentation in polymer nanocomposites. Progress in Materials Science, 2015, 67, pp. 1-94.

J. Li, B. Liu, H. Luo, Q.H. Fang, Y.W. Liu, Y. Liu, A molecular dynamics investigation into plastic deformation mechanism of nanocrystalline copper for different nanoscratchingrates. Computational Materials Science, 2016, 118, pp. 66-76.

Pogorelko, Viktor V., and Alexander E. Mayer. Influence of copper inclusions on the strength of aluminum matrix at high-rate tension. Materials Science and Engineering: A, 2015, 642, pp. 351-359.

R. Cao, C. Deng, The ultra-small strongest grain size in nanocrystalline Ni nanowires. Scriptamaterialia, 2015, 94, pp. 9-12.

F. Cleri, V. Rosato, Tight-binding potentials for transition metals and alloys. Physical Review B, 1993, 48, pp. 22.

C.Goyhenex, Revised tight-binding second moment potential for transition metal surfaces.Surface Science, 2012, 606, pp. 325-328.

A.B. Lebedev, Y.A. Burenkov, A.E. Romanov, V.I. Kopylov, V.P. Filonenko, V.G. Gryaznov, Softening of the elastic modulus in submicrocrystalline copper. Materials Science and Engineering: A, 1995, 203, pp. 165-170.

Huang, S., Gao, Y., An, K., Zheng, L., Wu, W., Teng, Z., & Liaw, P. K. Deformation mechanisms in a precipitation-strengthened ferritic superalloy revealed by in situ neutron diffraction studies at elevated temperatures. Acta Materialia, 2015, 83, pp. 137-148.

F. Hussain, M. Imran, M. Rashid, H. Ullah, A. Shakoor, E. Ahmad, S.A. Ahmad, Molecular dynamics simulation of mechanical characteristics of CuZr bulk metallic glasses using uni-axial tensile loading technique. Physica Scripta, 2014, 89, 115701.