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Engineering Commons

Open Access. Powered by Scholars. Published by Universities.®

Materials Science and Engineering

Purdue University

2015

Simulation

Articles 1 - 2 of 2

Full-Text Articles in Engineering

Thermal And Mechanical Properties Of Polymers Using Molecular Dynamics, Daniel Glass, Alejandro Strachan, Lorena Alzate-Vargas, Chunyu Li, Benjamin Haley Aug 2015

Thermal And Mechanical Properties Of Polymers Using Molecular Dynamics, Daniel Glass, Alejandro Strachan, Lorena Alzate-Vargas, Chunyu Li, Benjamin Haley

The Summer Undergraduate Research Fellowship (SURF) Symposium

Polymer systems have gained attention during the past years because of their technological and industrial applications. Simulations, particularly molecular dynamics, are very useful for exploring properties of amorphous polymers, without using experiments. Our goal is to create a readily-available tool that will perform MD simulations in order to get thermal and mechanical properties (Glass transition temperature, Young Modulus) of the polymers. The work that has been done will be part of a tool to help people to learn about polymer properties including Glass Transition Temperature. We model some polymers at a scale of 10,000 atoms. The tool uses LAMMPS to …


Nanohub.Org: A Gateway To Undergraduate Simulation-Based Research In Materials Science And Related Fields, Tanya A. Faltens, Peter A. Bermel, Amanda Buckles, K Anna Douglas, Alejandro H. Strachan, Lynn K. Zentner, Gerhard Klimeck Jan 2015

Nanohub.Org: A Gateway To Undergraduate Simulation-Based Research In Materials Science And Related Fields, Tanya A. Faltens, Peter A. Bermel, Amanda Buckles, K Anna Douglas, Alejandro H. Strachan, Lynn K. Zentner, Gerhard Klimeck

Birck and NCN Publications

Our future engineers and scientists will likely be required to use advanced simulations to solve many of tomorrow's challenges in nanotechnology. To prepare students to meet this need, the Network for Computational Nanotechnology (NCN) provides simulation-focused research experiences for undergraduates at an early point in their educational path, to increase the likelihood that they will ultimately complete a doctoral program. The NCN summer research program currently serves over 20 undergraduate students per year who are recruited nationwide, and selected by NCN and the faculty for aptitude in their chosen field within STEM, as well as complementary skills such as coding …