[lammps-users] Constructing entangled amorphous polymer structure

Dear Steven:

I want to construct an entangled amorphous structure of polymer. I read your paper (Equilibration of long chain polymer melts in computer simulations, JOURNAL OF CHEMICAL PHYSICS, 2003, 119, 12718), which made some important modifications on the method for preparing melt conformation. I know some part of the method have been realized in LAMMPS, such as double-bridging ?CMD hybrid algorithm. But I am wondering whether the process to introduce excluded volume, namely pre-packing of phantom chains and slow push-off, has been implemented in LAMMPS or not. I really appreciate your help.

Thanks and best wishes,


Dr. Fangli Duan
Visiting Research Scholar
Department of Materials Science and Engineering
University of Florida
Email: flduan@…1447…
Phone: 352-392-6609