MD Potential Files: Difference between revisions
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===MD++ Files=== |
===MD++ Files=== |
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[[media:eamdata_aufoiles.txt | EAM Foiles potential for Gold |
[[media:eamdata_aufoiles.txt | EAM Foiles potential for Gold.]] |
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Ref: Park, H. S., Zimmerman J. A., Modeling inelasticity and failure in gold nanowires. Phys. Rev. B 72, 054106 (2005). |
Ref: Park, H. S., Zimmerman J. A., Modeling inelasticity and failure in gold nanowires. Phys. Rev. B 72, 054106 (2005). |
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[[media:eamdata_cufoiles.txt | EAM Foiles potential for Copper.]] |
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Ref: Aubry, S. and Hughes, D. A., Reductions in stacking fault widths in fcc crystals: Semiempirical calculations. Phys. Rev. B 73, 224116 (2006). |
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===LAMMPS SET Files === |
===LAMMPS SET Files === |
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Revision as of 23:05, 30 January 2008
Potential Problems With Potentials
These are some potential files we used in our simulations of molecular structures. Please note that since we use a variety of codes, the potential files will be in a variety of foremats. The most common codes used by our group are LAMMPS ( and ParaDyne) and MD++. These codes use different file formats for EAM potentials, so all files should specify which file format. We will also try to provide a reference describing the potential.
Potentials
MD++ Files
EAM Foiles potential for Gold. Ref: Park, H. S., Zimmerman J. A., Modeling inelasticity and failure in gold nanowires. Phys. Rev. B 72, 054106 (2005).
EAM Foiles potential for Copper. Ref: Aubry, S. and Hughes, D. A., Reductions in stacking fault widths in fcc crystals: Semiempirical calculations. Phys. Rev. B 73, 224116 (2006).