Modeling and Simulation of Nano Structures Based on Molecular Dynamics

Abstract:

As our knowledge about Nano grows we can apply Nano Technology in all fields of Science and Engineering. Molecular simulation can be used to simulate the manufacturing process in nano scale. In this paper, simulations in nano scale were investigated in two main reasons: 1- Morphology in Nano-Micro, 2-Simulation based on molecular dynamics. The basic and main aspects of both methods were explored and also a Matlab algorithm will be suggested to modeling the structure and dynamic in nano scale. First, some pieces in cylindrical and cubic forms were simulated and the effects of thermal treatment in different temperatures were investigated in light of this simulation. Second, a model based on molecular dynamics in 2D was developed to find out the effects of force exerted to AFM..

• Periodical: Applied Mechanics and Materials (Volumes 110-116)
• Pages: 1841-1848
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.110-116.1841
• Online since: October 2011
• Authors: Ali Kafash Hoshiar, Hamed Raeisi Fard, Mohamad Mehdi Kheirikhah, Hafez Raeisi Fard
• Keywords: Atomic Force Microscope (AFM), MATLAB, Molecular Simulation, Thermal Effect

References

[1] Ming Chieh Cheng , Yun Liang Hsueh , Hsung Yu Chen , Cheng Kuo Sung , 2005 , Length Effect on Formation of Metallic Patterns by Nanoimprnting Molecular Dynamics Simulation, International Conference on Advanced Manufacture Taipei Taiwan.

[2] Xiaojun Wu, Weijun Liu, Michael Yu Wang, A CAD modeling system for heterogeneous object, Advances in Engineering Software, Volume 39, Issue 5, May 2008, Pages 444-453.

DOI: 10.1016/j.advengsoft.2007.03.002

[3] Athonu Chatterjee, Novel multi-block strategy for CAD tools for microfluidics type applications, Advances in Engineering Software, Volume 35, Issue 7, July 2004, Pages 443-451.

DOI: 10.1016/j.advengsoft.2004.05.006

[4] E. Kolonis, M. Nicolaidis , Towards a holistic CAD platform for nanotechnologies, Microelectronics Journal, Volume 39, Issue 8, August 2008, Pages 1032-1040.

DOI: 10.1016/j.mejo.2007.08.005

[5] Cheng Qi, Yan Wang , Feature-based crystal construction in computer-aided nano-design, Computer-Aided Design, Volume 41, Issue 11, November 2009, Pages 792-800.

DOI: 10.1016/j.cad.2008.12.008

[6] W. Sun, B. Starly, J. Nam, A. Darling , Bio-CAD modeling and its applications in computer-aided tissue engineeringComputer-Aided Design, Volume 37, Issue 11, 15 September 2005, Pages 1097-1114.

DOI: 10.1016/j.cad.2005.02.002

[7] Michael Rieth, Nano-Engineering in Science and Technology: An Introduction to the World of Nano-Design, , (2003).

[8] Dierk Raabe , Computational Materials Science, , (1998).

[9] Bharat Bhushan , Springer Handbook of Nanotechnology, (2004).

[10] Ashcrof , Mermin , solid state physics, (1976).

[11] D. C. Rapaport , The art of molecular dynamics simulation second edition, , (2004).

[12] Wing Kam Liu , Eduard G. Karpov Harold S. Park, Nano Mechanic and Materials, (2005).

[13] Jin-Ray Hsu , Chin-Chung Hsiao , Cheng-Kuo Sung , Chaug-Liang Hsu , Thermo-mechanical Effect on Nanostructure Formation using Atomic Force Microscopy, , International Conference on Advanced Manufacture Taipei Taiwan, (2005).

[14] Alan Hichliffe , Modelling Molecular Structures, (2000).

[15] Ersan Demiralp , Tahir Cagin , William A. Goddard, Morse Stretch Potential Charge Equilibrium Force Field for Ceramics: Application to the Quartz-Stishovite Phase Transition and to Silica Glass, Physical review letters , volume 82, (1999).

DOI: 10.1103/physrevlett.82.1708