Home > MaterialsScript Library > Build polymers with randomly branched chains

Build polymers with randomly branched chains

Author: Shyam Vyas

Description

This script builds a homopolymer with a specified length. After, a specified number of branches are added randomly to the polymer. The lengths of the branches are also picked randomly within user-defined minimum and maximum criteria.

Following the build, an optimization is performed and then a dynamics calculation to perturb the system.

Applications of this script include studying the effect of branching on polymers using Amorphous Cell calculations.

Modules: Materials Visualizer, Forcite Plus

Access the script >

Terms of Service | www.accelrys.com | ©2006 Accelrys, Inc.