Homework assignment: learning about elastic constants via molecular dynamics simulations

By Alejandro Strachan1; David Ray Johnson1

1. Purdue University

Published on

Abstract

In this homework assignment students will use molecular dynamics to compute the elastic constants of metals using an embedded atom model to describe atomic interactions. They will deform  a single crystal along different directions and obtain c11, c12 and c44 elastic constants from the stress-strain relationships. 

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Researchers should cite this work as follows:

  • Alejandro Strachan, David Ray Johnson (2015), "Homework assignment: learning about elastic constants via molecular dynamics simulations," https://nanohub.org/resources/21949.

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