Effect of Crystal Defects on the Melting Temperature of Ni and Al

Fayyaz Hussain ； Sardar Sikandar Hayat ； Zulfiqar Ali Shah ； S. A. Ahmad

《Chinese Journal of Physics》 51卷2期 (2013/04) Pp. 347-358

https://doi.org/10.6122/CJP.51.347

並列摘要

The molecular dynamics simulation technique has been applied to study the effects of temperature on Ni and Al with point and planar defects. For this purpose a well established program 'dyn86' containing the DYNAMO subroutine has been used. Semi-empirical potentials based on the embedded atom method (EAM) have been employed to calculate the lattice parameter and energy per atom in order to determine the melting point. The effects of point defects, including self, substitution, and interstitial, on the melting point have been investigated. The twin formation energy of some low index (111), (112), (113), and (114) twin-interfaces and their effects on the melting point of Ni and Al are also studied. It is observed that the presence of defects (point or planar) lowers the melting point of metals, as compared to the simulated melting point of a defect-free crystal.

參考文獻

H. S. Park, K. Gall, and J. A. Zimmerman, Mech. Phys. Solids 54, 1862 (2006).

L. Pollet et al., Phys. Rev. Lett. 98, 135301 (2007).

K. Differta, A. Seeger, and W. Trost, Mater. Sci. Forum 99, 15 (1987).

P. R. Okamoto, N. Q. Lam, and L. E. Rehn, in Solid State Physics (Vol. 52), eds. H. Ehrenreich, and F. Spaepen (New York: Academic Press, 1999), p. 1.

S. T. Nakagawa and G. Betz, Nucl. Instr. Meth. Phys. Res. B 230, 210 (2005).