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This section is unavailable in an archive version of a tool. Consult the latest published version 1.0.1 for most current information.

MD Simulation

By Sanket S Mahajan1, Ganesh Subbarayan1, Xufeng Wang1

1. Purdue University

Code to perform Molecular Dynamics (MD) Simulations

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Archive Version 1.0
Published on 31 Mar 2008, unpublished on 20 Oct 2009
Latest version: 1.0.1. All versions

doi:10.4231/D3P843V7F cite this

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Abstract

Nano-structured composite materials consisting of nano-wires and nano-particles in a matrix are used widely in applications such as micro-electronics, solar cells, aircraft design etc. Nano-structured materials consisting silica (silicon dioxide) are used in electronic packages. SETUMD can be used to study the structure and geometry of these systems. It also provides the ability to determine transport properties such as thermal conductivity of a silica nano-wire or nano-particle.

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