DENG Shengwei, HUANG Yongmin, LIU Honglai, et al. Computer simulation of mechanical properties of polymer materials[J]. CIESC Journal, 2015, (8): 2767-2772.
DOI:
DENG Shengwei, HUANG Yongmin, LIU Honglai, et al. Computer simulation of mechanical properties of polymer materials[J]. CIESC Journal, 2015, (8): 2767-2772.DOI: 10.11949/j.issn.0438-1157.20150642.
Computer simulation of mechanical properties of polymer materials
Macroscopic mechanical properties are strongly related to their microstructures
and computer simulation is an important approach to explore this inherent structure-property relationship. During the last decades
different simulation methods were proposed to describe the mechanical behavior of polymer materials at different scales. This paper reviews recent computer simulation studies in mechanical properties of polymer materials. Monte Carlo simulation
molecular dynamics simulation as well as lattice spring model based multi-scale simulation are reviewed in detail. The application of molecular dynamics simulations in the polymer glass
crystalline polyethylene and some heterogeneous polymers are discussed
while the application of multi-scale simulation in complicated heterogeneous materials are considered
such as phase separated block copolymers. Finally
the limitation and the application prospects of different methods are discussed.