Strachan_Lab_Deformation - Lab: deformation of Lab:...

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Unformatted text preview: Lab: deformation of Lab: deformation of nanoscale nanoscale materials materials Alejandro Strachan School of Materials Engineering Purdue University [email protected] nanoMATERIALS nanoMATERIALS simulations toolkit simulations toolkit In order to run the nanoMATERIALS simulations toolkit you need to register as a user of the nanoHUB: o to www.nanohub.org and click on: Login and then click select nanoMATERIALS tool simple MD runs with simple MD runs with nanoMATERIALS nanoMATERIALS elect a model (Pt_nanowire) ake a 5 5 5 supercell etermine initial model for simulation simple MD runs with simple MD runs with nanoMATERIALS nanoMATERIALS e will let the program pick he force field for us (a many ody Sutton Chen force field) Energy expression elect how the energy (and erived quantities) of the ystem will be determined simple MD runs with simple MD runs with nanoMATERIALS nanoMATERIALS un simulation river options hat type of simulation?...
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This note was uploaded on 12/07/2011 for the course CHEM 350 taught by Professor Duanejohnson during the Summer '06 term at University of Illinois, Urbana Champaign.

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Strachan_Lab_Deformation - Lab: deformation of Lab:...

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