Computer Simulations

This research focuses on the rheology, primary nucleation process and mechanical properties of polymer systems using Finite element, Monte Carlo and Molecular dynamics simulations

Molecular Dynamics Simulations

Brute force simulation at high supercooling and other rare-events techniques at low supercooling condition to study the nucleation process of polymer systems at quiescent condition. Meanwhile, Non-equilibrium simulation method was introduced to investigate the rheology properties, the phenomena of flow induced crystallization process and the mechanical properties of semi-crystalized system. We try to define the local and global order parameters to distinguish the local ordered structures and analysis the evolution of our systems. The detail information of molecular level from simulation will help us to understand the fundamental mechanism of polymer rheology, crystallization and even fracture. We are also interested the advanced simulation methods and theoretical studies about softmatter systems

Junsheng Yang,  Xiaoliang Tang

Tingyu Xu,      Chun Xie

Finite element simulation

The instability of non-Newtonian fluids and the fracture and destruction of solid materials are important research topics and are also our focus. Due to the complex nature of the polymer, we independently developed two sets of finite element solvers called PolyLab and hybrid-APFM, respectively, based on the MATLAB platform. Our current research involves two aspects: (I) advanced algorithms, adaptive Mesh, parallel computing and GPU acceleration; (II) the physical origin of fluid and solid damage based on advanced calculation methods.

Fucheng Tian