Hostname: page-component-76fb5796d-qxdb6 Total loading time: 0 Render date: 2024-04-25T20:47:16.460Z Has data issue: false hasContentIssue false
  • English
  • Français

Influence of film thickness and surface orientation on melting behaviors of copper nanofilms

Published online by Cambridge University Press:  13 February 2014

Ming-Liang Liao ,
I-Ling Chang  and
Fu-Rong Chang
Ming-Liang Liao
Affiliation:
Department of Aircraft Engineering, Air Force Institute of Technology, Kaohsiung 820, Taiwan
I-Ling Chang*
Affiliation:
Department of Mechanical Engineering, National Cheng Kung University, Tainan 701, Taiwan
Fu-Rong Chang*
Affiliation:
Department of Mechanical Engineering, National Cheng Kung University, Tainan 701, Taiwan
*
a)Address all correspondence to this author. e-mail: ilchang@mail.ncku.edu.tw
Get access

Abstract

The effects of film thickness and surface orientation on melting behaviors of copper nanofilms were investigated by molecular dynamics simulations. A stepwise heating scheme was adopted to make sure that the nanofilms reached thermal equilibrium before further temperature increase. Melting of the nanofilms was monitored by examining the equilibrium potential energy, radial distribution function, and mean square displacement of the simulated nanofilms. From the simulation, the melting was observed to occur at a specific temperature within 1 K error, unlike the progressive melting process reported in the literature. The melted temperature and the latent heat of fusion of the nanofilms were found to increase with film thickness and approach the bulk value. The nanofilms with (111) surface have the highest melted temperature and the largest latent heat of fusion as compared to the ones with (001) and (011) surfaces, which could be explained by the lowest surface energy of (111) surface.

Type
Articles
Information
Journal of Materials Research , Volume 29 , Issue 4 , 28 February 2014 , pp. 535 - 541
Copyright
Copyright © Materials Research Society 2014 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

Vasil'ev, E.V.: Copper thin-film temperature-sensitive elements, resistive thermal transducers, and thermometers based on them. Meas. Tech. 38, 912 (1995).CrossRefGoogle Scholar
Murarka, S.P., Verner, I.V., and Gutmann, R.J.: Copper-fundamental Mechanisms for Microelectronic Applications (John Wiley & Sons, New York, 2000).Google Scholar
Tsang, C.F. and Hui, H.K.: Evaluation of copper thin film on SiO2/Si substrates by dynamic ultramicroindentation, SEM and AFM. Surf. Interface Anal. 29, 735 (2000).3.0.CO;2-O>CrossRefGoogle Scholar
Dingreville, R., Kulkarni, A.J., Zhou, M., and Qu, J.: A semi-analytical method for quantifying the size-dependent elasticity of nanostructures. Modell. Simul. Mater. Sci. Eng. 16, 025002 (2008).CrossRefGoogle Scholar
Gan, Y. and Chen, J.K.: Molecular dynamics study of size, temperature and rate dependent thermomechanical properties of copper nanofilms. Mech. Res. Commun. 36, 838 (2009).CrossRefGoogle Scholar
Chang, I.L. and Ding, W.C.: The atomistic study of textured polycrystalline nanofilms. Comput. Model. Eng. Sci. 68, 297 (2010).Google Scholar
Jing, X.B., Liu, Z.L., and Yao, K.L.: Molecular dynamics investigation of deposition and annealing behaviors of Cu atoms onto Cu(001) substrate. Appl. Surf. Sci. 258, 2771 (2012).CrossRefGoogle Scholar
Buffat, P. and Borel, J.P.: Size effect on the melting temperature of gold particles. Phys. Rev. A 13, 2287 (1976).CrossRefGoogle Scholar
Safaei, A., Shandiz, M.A., Sanjabi, S., and Barber, Z.H.: Modelling the size effect on the melting temperature of nanoparticles, nanowires and nanofims. J. Phys. Condens. Matter 19, 216216 (2007).CrossRefGoogle Scholar
Zhang, W.X. and He, C.: Melting of Cu nanowires: A study using molecular dynamics simulation. J. Phys. Chem. C 114, 8717 (2010).CrossRefGoogle Scholar
Yang, X.Y. and Wu, D.: The melting behaviors of the Nb(110) nanofilm: A molecular dynamics study. Appl. Surf. Sci. 256, 3197 (2010).CrossRefGoogle Scholar
Shi, D.W., He, L.M., Kong, L.G., Lin, H., and Hong, L.: Superheating of Ag nanowires studied by molecular dynamics simulations. Modell. Simul. Mater. Sci. Eng. 16, 025009 (2008).CrossRefGoogle Scholar
Wang, N., Rokhlin, S.I., and Farson, D.F.: Nonhomogeneous surface premelting of Au nanoparticles. Nanotechnology 19, 415701 (2008).CrossRefGoogle ScholarPubMed
Adnan, A. and Sun, C.T.: Effect of surface morphology and temperature on the structural stability of nanoscale wavy films. Nanotechnology 19, 315702 (2008).CrossRefGoogle ScholarPubMed
Häkkinen, H. and Manninen, M.: Computer simulation of disordering and premelting of low-index faces of copper. Phys. Rev. B 46, 1725 (1992).CrossRefGoogle ScholarPubMed
Callister, W.D. and Rethwisch, D.G.: Fundamentals of Materials Science and Engineering: An Integrated Approach (John Wiley & Sons, New Jersey, 2008).Google Scholar
Manai, G. and Delogu, F.: Numerical simulations of the melting behavior of bulk and nanometer-sized Cu systems. Physica B 392, 288 (2007).CrossRefGoogle Scholar
Sanchez, J.A. and Mengüç, M.P.: Melting and vaporization of Cu and Ni films during electron-beam heating. J. Appl. Phys. 103, 054316 (2008).CrossRefGoogle Scholar
Daw, M.S. and Baskes, M.I.: Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals. Phys. Rev. B 29, 6443 (1984).CrossRefGoogle Scholar
Foiles, S.M., Baskes, M.I., and Daw, M.S.: Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Phys. Rev. B 33, 7983 (1986).CrossRefGoogle ScholarPubMed
Daw, M.S., Foiles, S.M., and Baskes, M.I.: The embedded-atom method: A review of theory and applications. Mater. Sci. Rep. 9, 251 (1993).CrossRefGoogle Scholar
Gear, C.W.: Numerical Initial Value Problems in Ordinary Differential Equations (Prentice-Hall, Englewood Cliffs, New Jersey, 1971).Google Scholar
Haile, J.M.: Molecular Dynamics Simulation (Wiley-Interscience, New York, 1992).Google Scholar
Rapaport, D.C.: The Art of Molecular Dynamics Simulations (Cambridge University Press, Cambridge, 2004).CrossRefGoogle Scholar
Sankarasubramanian, R. and Kumar, K.: Effect of surface anisotropy on the melting temperatures of free-standing gold nanofilms. Comput. Mater. Sci. 49, 386 (2010).CrossRefGoogle Scholar
Celestini, F. and Debierre, J.M.: Measuring kinetic coefficients by molecular dynamics simulation of zone melting. Phys. Rev. E 65, 041605 (2002).CrossRefGoogle ScholarPubMed
Kulkarni, A.J. and Zhou, M.: Surface-effects-dominated mechanical and thermal responses of zinc oxide nanobelts. Acta Mech. Sin. 22, 217 (2006).CrossRefGoogle Scholar