Melting via molecular dynamics simulations

By Alejandro Strachan

Purdue University

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In this assignment you will use MD simulations to study melting in metals using the nanoMATERIALS simulation tool in nanoHUB. You will create atomistic models for bulk Al and a nanoparticle and use MD simulations to heat them up and study their evolution. You can visualize the atomic configuration as the temperature is increased and after melting. From the results of the simulation you can obtain the melting temperature and the heat of fusion.


Ale Strachan research group page.


Simulations powered by: nanoMATERIALS simulation tool

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Network for Computational Nanotechnology

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Researchers should cite this work as follows:

  • Alejandro Strachan (2015), "Melting via molecular dynamics simulations,"

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