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Molecular Modeling and Simulation of Physical Properties and Behavior of Low-Dimensional Carbon Allotropes

Carbon Nanotubes, Deformation and Fracture

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Trends in Nanoscale Mechanics

Abstract

This chapter presents theoretical foundations and results of molecular modeling and simulation of carbon nanotubes, evaluation of their static and dynamic mechanical properties, radial buckling and deformation of the single wall carbon nanotubes (SWCNTs), their radial breathing vibrations, thermal effects and vibration modes. A review of molecular simulations of buckyballs and other low dimensional fullerenes is presented along with the fracture evolution for defective armchair SWCNTs.

“Learn matters of foreign lands and don’t shun those of your own.” T. Shevchenko (1814–1861), a great poet and educator of Eastern Europe. In 2014 we celebrate 200th anniversary of his birth.

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Acknowledgments

The authors would like to express their appreciation to the National Science Council, Taiwan, ROC, for the financial support under grants NSC95-2221-E-007-013-MY3, NSC98-2221-E-007-016-MY3, NSC100-2221-E-035-036-MY3 and NSC101-2221-E-007-009-MY3. Great thanks are also conveyed to our former graduate students: Dr. Yu-Chen Hsu and Dr. Chun-Hung Wu at Taiwan Semiconductor Manufacturing Co., Hsinchu, Taiwan, ROC, and Dr. Yang-Lun Liu at Industrial Technology Research Institute, Hsinchu, Taiwan, ROC, for their great contribution to the work. The authors are also grateful to their graduate student, Mr. Ching-Feng Yu, revision and corrections as well as colleagues [109–111].

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  1. Department of Power Mechanical Engineering, National Tsing Hua University, Hsinchu, 30013, Taiwan, ROC

    Wen-Hwa Chen

  2. Department of Aerospace and Systems Engineering, Feng Chia University, Taichung, 40724, Taiwan, ROC

    Hsien-Chie Cheng

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    Vasyl Harik

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Chen, WH., Cheng, HC. (2014). Molecular Modeling and Simulation of Physical Properties and Behavior of Low-Dimensional Carbon Allotropes. In: Harik, V. (eds) Trends in Nanoscale Mechanics. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-9263-9_3

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