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Elastic Properties of Mimetically Synthesized Model Nanoporous Carbon

Published online by Cambridge University Press:  31 January 2011

Xi Mi  and
Yunfeng Shi
Xi Mi
Affiliation:
mix@rpi.edu, Rensselaer Polytechnic Institute, Department of Physics, Applied Physics, and Astronomy, Troy, New York, United States
Yunfeng Shi
Affiliation:
shiy2@rpi.edu, Rensselaer Polytechnic Institute, Department of Materials Science and Engineering, Troy, New York, United States
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Abstract

Activated carbon is widely used for its attractive diffusion, adsorption and reaction properties. However, its mechanical behavior has received much less attention. We present a molecular dynamics simulation study on the elastic properties of activated carbon with nanometer-sized pores. The nanoporous carbon sample is composed of curved and defected graphene sheets, which is synthesized using quench molecular dynamics (QMD) method [1]. One unique feature of the current model is the mechanical stability, thus the bulk modulus, Young’s modulus, shear modulus and Poisson’s ratio can be obtained from simulated mechanical tests. By varying the density of the nanoporous carbon model, it was further found that the bulk modulus vs. density relation follows Gibson-Ashby type power law with exponents of 2.80 at low densities and 1.65 at high densities.

Keywords

elastic propertiesCnanostructure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1224: Symposia FF/GG – Mechanical Behavior at Small Scales — Experiments and Modeling , 2009 , 1224-FF10-10
Copyright
Copyright © Materials Research Society 2010

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References

1 Shi, Y. F., J. Chem. Phys. 128, 234707 (2008).Google Scholar
2 Biggs, M. J. and Buts, A., Mol. Simul. 32, 579 (2006).Google Scholar
3 Field, S. and Swain, M. V., Carbon 34, 1357 (1996).Google Scholar
4 Sakai, M., Hanyu, H., and Inagaki, M., J. Am. Ceram. Soc. 78, 1006 (1995).Google Scholar
5 Iwashita, N. and Swain, M. v., Mol. Cryst. Liq. Cryst. 386, 39 (2002).Google Scholar
6 Ersoy, D. A., McNallan, M. J., and Gogotsi, Y., Mat Res Innovat 5, 55–62 (2001).Google Scholar
7 Jain, S. K., Pikunic, J. P., Pellenq, R. J.M., and Gubbins, K. E., Adsorption 11, 355 (2005).Google Scholar
8 Jain, S. K., Pellenq, R. J.M., Pikunic, J. P., and Gubbins, K. E., Langmuir 22, 9942 (2006).Google Scholar
9 Gelb, L. D. and Gubbins, K. E., Langmuir 14, 2097 (1998).Google Scholar
10 Gelb, L. D. and Gubbins, K. E., Langmuir 15, 305 (1999).Google Scholar
11 Emmett, P. H., Chem. Rev. 43 69 (1948).Google Scholar
12 Peterson, T., Yarovsky, I., Snook, I., McCulloch, D. and Opletal, G., Carbon 42, 2457 (2004).Google Scholar
13 Shi, Y. F. and Brenner, D. W., J. Chem. Phys. 127, 134503 (2007).Google Scholar
14 Stuart, S. J., Tutein, A. B. and Harrison, J. A., J. Chem. Phys. 112, 6472 (2000).Google Scholar
15 Grob, J. and Fricke, J., NanoSturctured Materials. 6, 905–908 (1995).Google Scholar
16 Gibson, L. J. and Ashby, M. F., Cellular solids, 2nd ed. (Combridge University Press, 1997) pp. 175–231. Google Scholar
17 Peters, J. F., Muthuswamy, M., Wibowo, J. and Tordesillas, A., Phys. Rev. E 72, 041307 (2005).Google Scholar