No Access

MOLECULAR DYNAMICS STUDY OF THE COALESCENCE OF EQUAL AND UNEQUAL SIZED Cu NANOPARTICLES

Department of Physics, Pamukkale University, Kınıklı Campus, 20020, Denizli, Turkey

Department of Chemical Engineering, Texas A&M University, Texas, TX 77845-3122, USA

Permanent addresses: Department of Mechanical Engineering Purdue School of Engineering and Technology, IUPUI 723 W. Michigan Street, Room SL 260 Q Indianapolis, IN 46202, USA.

Search for more papers by this author

I. KARAMAN

Department of Mechanical Engineering, Texas A&M University, Texas, TX 77843, USA

Search for more papers by this author

, and

T. ÇAĞIN

Department of Chemical Engineering, Texas A&M University, Texas, TX 77845-3122, USA

Search for more papers by this author

https://doi.org/10.1142/S0129183109013534Cited by:19 (Source: Crossref)

Abstract

Molecular dynamics simulations technique is used to study the consolidation of two nanoparticles of Cu element. We have studied sintering processes of two nanoparticles at different temperatures. Two model systems with 4 and 10 nm diameter of particles are selected to study the sintering process of the two nanoparticles. Orientation effects on the physical properties of consolidation of two nanoparticles with respect to each other are investigated. Temperature effects on the consolidation of two nanoparticles are also studied. The order of the values obtained in the simulation for the constant volume heat capacity and latent heat of fusion is good agreement with the bulk results. Moreover, we have investigated the size effects on the consolidation of two different sizes of nanoparticles, that is, one particle of diameter with 10 nm is fixed while the other one is changing from 1 to 10 nm. Melting temperatures of the copper nanoparticles are found to be decreased as the size of the particle decreases. It is found that simulation results are compatible with the other theoretical calculations.

Keywords:

PACS: 65.80.+n, 71.15.Pd, 81.20.Ev, 82.60.Qr

You currently do not have access to the full text article.
Recommend the journal to your library today!

References

H. Gleiter, Progress in Material Science 33, 223 (1989), DOI: 10.1016/0079-6425(89)90001-7. Web of Science, Google Scholar
M. Yaedonet al., NanoStruct. Mat. 10, 731 (1998). Web of Science, Google Scholar
A. S. Edelstein and R. C. Cammarata , Nanomaterials: Synthesis, Properties, and Applications ( IOP , Bristol , 1996 ) . Google Scholar
J. S. Raut, R. B. Bhagot and K. A. Fichthorn, NanoStruct. Mat. 10, 837 (1998), DOI: 10.1016/S0965-9773(98)00120-2. Google Scholar
http://www.azom.com/details.asp?ArticleID=1066 . Google Scholar
L. Liet al., Critical Rev. Environ. Sci. Technol. 36, 405 (2006), DOI: 10.1080/10643380600620387. Web of Science, Google Scholar
P. Zenget al., Mat. Sci. Eng. A 252, 301 (1998), DOI: 10.1016/S0921-5093(98)00665-0. Web of Science, Google Scholar
T. H. Fang, W. J. Chang and J. W. Chiu, Microelectron. J. 37, 722 (2006), DOI: 10.1016/j.mejo.2005.12.007. Web of Science, Google Scholar
L. J. Lewis, P. Jensen and J. L. Barrat, Phys. Rev. B 56, 2248 (1997), DOI: 10.1103/PhysRevB.56.2248. Web of Science, ADS, Google Scholar
K. F. Peters, J. B. Cohen and Y. W. Chung, Phys. Rev. B 57, 13430 (1998), DOI: 10.1103/PhysRevB.57.13430. Web of Science, ADS, Google Scholar
Z. R. Dai, S. Sun and Z. L. Wang, Nano Lett. 1, 443 (2001), DOI: 10.1021/nl0100421. Web of Science, ADS, Google Scholar
K. E. J. Lethinen and M. R. Zachariah, Phys. Rev. B 63, 205402 (2001). Web of Science, Google Scholar
V. Yadha and J. J. Helble, Aerosol Sci. 35, 665 (2004), DOI: 10.1016/j.jaerosci.2003.11.009. Web of Science, ADS, Google Scholar
A. Kara and T. S. Rahman, Surf. Sci. Rep. 56, 159 (2005), DOI: 10.1016/j.surfrep.2004.09.003. Web of Science, ADS, Google Scholar
H. Zhu and R. S. Averback, Mater. Manuf. Process. 11, 905 (1996), DOI: 10.1080/10426919608947541. Web of Science, Google Scholar
Y. Qiet al., J. Chem. Phys. 115, 385 (2001), DOI: 10.1063/1.1373664. Web of Science, ADS, Google Scholar
S. J. Zhaoet al., J. Phys.: Condens. Matter 13, 8061 (2001), DOI: 10.1088/0953-8984/13/35/313. Web of Science, ADS, Google Scholar
J. H. Shim, B. J. Lee and Y. W. Cho, Surf. Sci. 512, 262 (2002), DOI: 10.1016/S0039-6028(02)01692-8. Web of Science, ADS, Google Scholar
G. Bilalbegovic, Comput. Mat. Sci. 31, 262 (2004). Web of Science, Google Scholar
F. Ding, A. Rosén and K. Bolton, Phys. Rev. B 70, 075416 (2004), DOI: 10.1103/PhysRevB.70.075416. Web of Science, Google Scholar
S. Arcidiaconoet al., Int. J. Multiphase Flow 30, 979 (2004), DOI: 10.1016/j.ijmultiphaseflow.2004.03.006. Web of Science, Google Scholar
T. Hawa and M. R. Zachariah, Aerosol Sci. 37, 1 (2006), DOI: 10.1016/j.jaerosci.2005.02.007. Web of Science, ADS, Google Scholar
M. Braginsky, V. Tikare and E. Olevsky, Int. J. Solid Struct. 42, 621 (2005), DOI: 10.1016/j.ijsolstr.2004.06.022. Web of Science, Google Scholar
B. Lee and K. Cho, Surf. Sci. 600, 1982 (2006), DOI: 10.1016/j.susc.2006.02.029. Web of Science, Google Scholar
A. M. Mazzone, Phil. Mag. B 80, 95 (2000), DOI: 10.1080/014186300255799. ADS, Google Scholar
http://www.copper.org/innovations/2006/01/copper-nanotechnology.html . Google Scholar
H. H. Kart, M. Tomak and T. Çağın, Modeling Simul. Mater. Sci. Eng. 13, 1 (2005), DOI: 10.1088/0965-0393/13/5/002. Web of Science, Google Scholar
T. Çağınet al., MRS Symp. Ser. 554, 43 (1999). Google Scholar
A. P. Sutton and J. Chen, Phil. Mag. Lett. 61, 139 (1990), DOI: 10.1080/09500839008206493. Web of Science, ADS, Google Scholar
H. Rafii-Tabar and A. P. Sutton, Phil. Mag. Lett. 63, 217 (1991), DOI: 10.1080/09500839108205994. Web of Science, ADS, Google Scholar
J. Ray and A. Rahman, J. Chem. Phys. 82, 4243 (1985), DOI: 10.1063/1.448813. Web of Science, ADS, Google Scholar
W. G. Hoover, Phys. Rev. A 31, 1695 (1985), DOI: 10.1103/PhysRevA.31.1695. Web of Science, ADS, Google Scholar
M. Parrinello and A. Rahman, Phys. Rev. Lett. 45, 1196 (1980), DOI: 10.1103/PhysRevLett.45.1196. Web of Science, ADS, Google Scholar
Y. Qi, T. Çağın and W. A. Goddard III, J. Comp.-Aided Mater. Design 8, 185 (2001), DOI: 10.1023/A:1020030329839. Web of Science, ADS, Google Scholar
H. H. Kartet al., Comput. Mater. Sci. 32, 107 (2004), DOI: 10.1016/j.commatsci.2004.07.003. Web of Science, Google Scholar
G. Moroyoqui-Estrella, E. Urrutia-Banualos and R. G. Alonso, Physica A 374, 179 (2007). Web of Science, ADS, Google Scholar