Dear Sir,
I’m trying to model the motion of nanotube in a metal matrix.
Just like the shear example given. I created a metal box with eam.
I have created a nanotube (I have the cordinated as an ascii text) and
made sure that all the dimensions are less than the box dimensions.
Problems I’m facing are:
- trouble inserting the tube into the matrix.
- modeling the interface between nanotube and metal (ie modeling
the interaction between two different atoms).
Please help me out in solving this.
Regards
Dear Sir,
I'm trying to model the motion of nanotube in a metal matrix.
Just like the shear example given. I created a metal box with eam.
I have created a nanotube (I have the cordinated as an ascii text) and
made sure that all the dimensions are less than the box dimensions.
Problems I'm facing are:
1) trouble inserting the tube into the matrix.
what trouble specifically. people here are very willing to help with
specific problems, but this is not the "free international school of MD".
2) modeling the interface between nanotube and metal (ie modeling
the interaction between two different atoms).
this is solved in a very traditional way: search for publications on the
subject. something similar to what you are describing is likely to be
published. it is just a matter of finding it, understanding how it was
done and then deciding which possible variant is the best to choose
or invent a new one. what LAMMPS has to offer is simply the means
to execute a model, it doesn't tell you which one to choose.
creativity is left to the user, laborious computing to the machine.
cheers,
axel.