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MIT OpenCourseWare http://ocw.mit.edu
3.021J / 1.021J / 10.333J / 18.361J / 22.00J Introduction to Modeling and Simulation Spring 2008
For information about citing these materials or our Terms of Use, visit: http://ocw.mit.edu/terms.
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ITAP IMDCode for nanowire simulations
Uses: EAM force field
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Select “Pipelines” IMDElastic, click on “run“
IMDNanowire
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upper
lower z
y x
Crystal dimensions [100][010][001] crystal
Restriction of atomic motion
1=free to move
0=fixed
Displacements in particular direction
Every Nd steps
PBCs in x,y,z direction? 1=yes 0=no
Initial temperature:
Basically ~0 K
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.xyz file that makes movie when loaded in VMD
Energy, stress tensor, temperature.. vs. simulation steps – very useful for analysis in Excel or Matlab
First line contains description of content
The following sections contain .png files and .gif animations for views in three different angles
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VMD output
VMDMovie.xyz file
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In VMD: Click on Graphics Representations
Select “VDW” as “Drawing Method” to plot spheres
This makes it look much nicer
Create snapshot files in File Render: or, alternatively simply take screenshots for your writeup