Computational Nanoscience, Lecture 5: A Day of In-Class Simulation: MD of Carbon Nanostructures

By Jeffrey C Grossman1, Elif Ertekin2

1. Massachusetts Institute of Technology 2. University of Illinois at Urbana-Champaign

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Abstract

In this lecture we carry out simulations in-class, with guidance from the instructors. We use the LAMMPS tool (within the nanoHUB simulation toolkit for this course). Examples include calculating the energy per atom of different fullerenes and nantubes, computing the Young's modulus of a nanotube with and without a Stone-Wales defect, and examining the effects of temperature.

Credits

Nanoscale Science and Engineering C242/Physics C203
University of California, Berkeley

Cite this work

Researchers should cite this work as follows:

  • Jeffrey C Grossman; Elif Ertekin (2008), "Computational Nanoscience, Lecture 5: A Day of In-Class Simulation: MD of Carbon Nanostructures," http://nanohub.org/resources/4037.

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