Lennard Jones simulator, epsilon value
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Hi, I would like use a Lennard Jones simulator for DWCNT, but the litterature epslon parameter is a more smal than minimum set point (0,003 vs 0,01).
Another question: someone simulated a DWCNT with Lennard Jones? what value to Epsilon and Sigma parameters used? -
Dear @Andrea ,
We will modify the Lennard Jones Element to lower the minimal possible value for the epsilon parameter.
The Lennard-Jones potential might not be that suitable for simulation of double-walled carbon nanotubes. We'd rather recommend using Universal Force Field (UFF), the Universal Force Field SAMSON Element is added in your SAMSON installation by default. Also, we will soon make available Brenner force field, which allows for simulation of carbon nanotubes.
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@dmitriymarin thanks for the advice
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Dear @Andrea ,
We have updated the Lennard-Jones Interaction Model SAMSON Element, now you can set the smaller epsilon parameter. The SAMSON Element should be updated automatically once you launch SAMSON with an Internet connection.
