38 citations · 87 across the 8 of their papers we have counts for
8 papers
Entropy-Driven Preordering Assists Nucleation in Polyethylene
Renkuan Cao, Fan Peng, Yunhan Zhang +4
Non-classical two-step nucleation including preordering and crystal nucleation has been widely proposed to challenge the one-step nucleation framework in diverse materials, while w…
Shear banding in monodisperse polymer melt
Fan Peng, Renkuan Cao, Cui Nie +2
We performed a series of molecular dynamics simulations on monodisperse polymer melts to investigate the formation of shear banding. Under high shear rates, shear banding occurs, w…
Stochastic Variational Methods in Generalized Hidden Semi-Markov Models to Characterize Functionality in Random Heteropolymers
Yun Zhou, Boying Gong, Tao Jiang +2
Recent years have seen substantial advances in the development of biofunctional materials using synthetic polymers. The growing problem of elusive sequence-functionality relations…
Entanglement on nucleation barrier of polymer crystal
Fan Peng, Cui Nie, Tingyu Xu +4
We propose a theoretical approach to quantitatively account for the role of entanglement in the nucleation of polymer melts, which is the unique feature of polymer differentiated f…
Numerical calculation of free-energy barriers for entangled polymer nucleation
Xiaoliang Tang, Fucheng Tian, Tingyu Xu +2
The crystallisation of entangled polymers from their melt is investigated using computer simulation with a coarse-grained model. Using hybrid Monte Carlo simulations enables us to…
An adaptive edge-based smoothed finite element method (ES-FEM) for phase-field modeling of fractures at large deformations
Fucheng Tian, Xiaoliang Tang, Tingyu Xu +1
This work presents the Griffith-type phase-field formation at large deformation in the framework of adaptive edge-based smoothed finite element method (ES-FEM) for the first time.…
Flow-induced Density Fluctuation assisted Nucleation in Polyethylene
Xiaoliang Tang, Junsheng Yang, Fucheng Tian +3
The nucleation process of polyethylene under quiescent and shear flow conditions are comparatively studied with all_atom molecular dynamical simulations. At both conditions, nuclea…
Local Structure Order Assisted Two-step Crystal Nucleation in Polyethylene
Xiaoliang Tang, Junsheng Yang, Tingyu Xu +3
Homogeneous nucleation process of polyethylene (PE) is studied with full-atom molecular dynamic simulation. To account the complex shape with low symmetry and the peculiar intra-ch…