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Overview of Computational Nanoscience: a UC Berkeley Course

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

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Last 12 Months: updated 01 Jul, 2008
Users: 81
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Avg. Review: 5.0 out of 5 stars
Citations: 0

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Contributor(s) Jeffrey C Grossman, Elif Ertekin
University of California, Berkeley
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

If you reference this work in a publication, please cite as follows:

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

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Date posted 15 Feb, 2008
Type Teaching Materials
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  1. 5.0 out of 5 stars 

    Posted on 23 March, 2008 by Anonymous

See also

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  • 9.2 Ranking Courses Part of: Overview of Computational Nanoscience: a UC Berkeley Course

    Overview of Computational Nanoscience: a UC Berkeley Course

    Type Courses
    Contributor(s) Jeffrey C Grossman, Elif Ertekin
    Date 01 Feb, 2008
    Avg. Rating 5.0 out of 5 stars  (3)
    Rate this

    This course will provide students with the fundamentals of computational problem-solving techniques that are used to understand and predict properties of nanoscale systems. Emphasis will be placed on how to use simulations effectively, intelligently, and cohesively to predict properties that occur …

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