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Online simulation powered learning modules for materials science

Published online by Cambridge University Press:  03 July 2019

Samuel Temple Reeve ,
David M. Guzman ,
Lorena Alzate-Vargas ,
Benjamin Haley ,
Peilin Liao  and
Alejandro Strachan
Samuel Temple Reeve*
Affiliation:
Materials Science Division, Lawrence Livermore National Laboratory, Livermore, CA94550
David M. Guzman
Affiliation:
Condensed Matter Physics & Materials Science Division, Brookhaven National Laboratory, Upton
Lorena Alzate-Vargas
Affiliation:
School of Materials Engineering and Birck Nanotechnology Center, Purdue University,West Lafayette, Indiana 47906, USA
Benjamin Haley
Affiliation:
School of Materials Engineering and Birck Nanotechnology Center, Purdue University,West Lafayette, Indiana 47906, USA
Peilin Liao
Affiliation:
School of Materials Engineering and Birck Nanotechnology Center, Purdue University,West Lafayette, Indiana 47906, USA
Alejandro Strachan
Affiliation:
School of Materials Engineering and Birck Nanotechnology Center, Purdue University,West Lafayette, Indiana 47906, USA
*
*(Email: sreeve@purdue.edu)
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Abstract

Simulation tools are playing an increasingly important role in materials science and engineering and beyond their well established importance in research and development, these tools have a significant pedagogical potential. We describe a set of online simulation tools and learning modules designed to help students explore important concepts in materials science where hands-on activities with high-fidelity simulations can provide insight not easily acquired otherwise. The online tools, which involve density functional theory and molecular dynamics simulations, have been designed with non-expert end-users in mind and only a few clicks are required to perform most simulations, yet they are powered by research-grade codes and expert users can access advanced options. All tools and modules are available for online simulation in nanoHUB.org and access is open and free of charge. Importantly, instructors and students do not need to download or install any software. The learning modules cover a range of topics from electronic structure of crystals and doping, plastic deformation in metals, and physical properties of polymers. These modules have been used in several core undergraduate courses at Purdue’s School of Materials Engineering, they are self contained, and are easy to incorporate into existing classes.

Keywords

simulationeducation

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Type
Articles
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MRS Advances , Volume 4 , Issue 50: Broader Impact/Characterization, Processing and Theory , 2019 , pp. 2727 - 2742
Copyright
Copyright © Materials Research Society 2019 

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References

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