A Numerical Study of Combined Rate, Size and Thermal Effects on the Responses of Ultrananocrystalline Diamond

Abstract:

To better understand the responses of ultrananocrystalline diamond (UNCD) under extreme working conditions, a numerical study is performed to investigate the size, loading rate and thermal effects on the material properties of UNCD films. A combined kinetic Monte Carlo (KMC) and molecular dynamics (MD) method is first applied to simulate the growth of polycrystalline UNCD films. The responses of the resulting UNCD films with various grain sizes are then investigated by applying displacement–controlled tensile loading with different rates and temperatures in the MD simulations. The preliminary results presented in this paper provide a better understanding of the combined size, rate and thermal effects on the material properties of UNCD.

• Periodical: Key Engineering Materials (Volumes 334-335)
• Pages: 621-624
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.334-335.621
• Online since: March 2007
• Authors: Lu Ming Shen, Zhen Chen
• Keywords: Grain Boundary, Molecular Dynamic (MD), Rate Effect, Size Effect, Thermal Effect, Ultrananocrystalline Diamond (UNCD)

References

[1] O. Auciello, J. Birrell, J.A. Carlisle, J.E. Gerbi, X. Xiao, B. Peng, and H.D. Espinosa: J. Phys. Cond. Matt. 16 (2004), p. R539.

[2] M. Sternberg, P. Zapol, and L.A. Curtiss: Phys. Rev. B 68 (2003), p.205330.

[3] L. Shen, and Z. Chen: Int. J. Dam. Mech. 15 (2006), p.169.

[4] L. Shen, and Z. Chen: Submitted to Int. J. Solids Struct. (2005).

[5] J. Tersoff: Phys. Rev. B 39 1989, p.5566.

[6] M. Zhou: Proc. Roy. Soc. Lon. A 459 (2003), p.2347.

[7] L. Shen, and Z. Chen: Mod. Sim. Mater. Sci. Eng. 12 (2004), p. s347.

[8] L. Shen and Z. Chen: Int. J. Solids Struct. 42 (2005), p.5036.

[9] Z. Chen, L. Shen, Y. Gan, and H.E. Fang: Int. J. Multiscale Comp. Eng. 3 (2005), p.451.

[10] L. Shen and Z. Chen: J. Nanoeng. NanoSys. (2006), in press.