Molecular dynamics simulation of extension-induced crystallization of branched bimodal HDPE: Unraveling the effects of short chain branches

Physical Chemistry Chemical Physics ◽

10.1039/d1cp01067k ◽

2021 ◽

Author(s):

Yiran Cao ◽

Li Zhao ◽

Jieqi Wang ◽

Yunqi Shao ◽

Xuelian He

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Short Chain ◽

Induced Crystallization

The bimodal HDPE models were designed for extension-induced crystallization imitating the architecture of industrial bimodal HDPE copolymerized with ethylene and 1-butene, 1-hexene, or 1-octene. Crystallites of bimodal HDPE experienced the...

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Effect of short-chain branching on the tie chains and dynamics of bimodal polyethylene: Molecular dynamics simulation

European Polymer Journal ◽

10.1016/j.eurpolymj.2018.01.006 ◽

2018 ◽

Vol 103 ◽

pp. 312-321 ◽

Cited By ~ 5

Author(s):

Yanling Hu ◽

Yunqi Shao ◽

Zhen Liu ◽

Xuelian He ◽

Boping Liu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Short Chain ◽

Chain Branching ◽

Bimodal Polyethylene

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Molecular Dynamics Simulation of Stretch-Induced Crystallization in Polyethylene: Emergence of Fiber Structure and Molecular Network

Macromolecules ◽

10.1021/acs.macromol.8b02569 ◽

2019 ◽

Vol 52 (4) ◽

pp. 1695-1706 ◽

Cited By ~ 11

Author(s):

Takashi Yamamoto

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Molecular Network ◽

Dynamics Simulation ◽

Fiber Structure ◽

Induced Crystallization

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Biaxial Stretch-Induced Crystallization of Polymers: A Molecular Dynamics Simulation Study

Macromolecules ◽

10.1021/acs.macromol.1c01606 ◽

2021 ◽

Author(s):

Cui Nie ◽

Fan Peng ◽

Tingyu Xu ◽

Yiwei Ding ◽

Junfang Sheng ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Crystallization Of Polymers ◽

Induced Crystallization

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Molecular Dynamics Simulation and Analysis on the Stress Induced Crystallization Behavior of Metallic Glass Cu

Solid State Phenomena - Nanoscience and Technology ◽

10.4028/3-908451-30-2.1011 ◽

2007 ◽

pp. 1011-1016

Author(s):

H.L. Wang ◽

Xiu Xi Wang ◽

H.Y. Liang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Metallic Glass ◽

Crystallization Behavior ◽

Dynamics Simulation ◽

Stress Induced Crystallization ◽

Induced Crystallization

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Molecular dynamics simulation of the crystalline short-chain polymer system LiPF6·PEO6(Mw∼ 1000)

Journal of Materials Chemistry ◽

10.1039/b505091j ◽

2005 ◽

Vol 15 (40) ◽

pp. 4338 ◽

Cited By ~ 29

Author(s):

D. Brandell ◽

A. Liivat ◽

A. Aabloo ◽

J. O. Thomas

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Polymer System ◽

Dynamics Simulation ◽

Short Chain ◽

Chain Polymer

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Coupling between intra- and inter-chain orderings in flow-induced crystallization of polyethylene: A non-equilibrium molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.4973382 ◽

2017 ◽

Vol 146 (1) ◽

pp. 014901 ◽

Cited By ~ 8

Author(s):

Junsheng Yang ◽

Xiaoliang Tang ◽

Zhen Wang ◽

Tingyu Xu ◽

Fucheng Tian ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Non Equilibrium Molecular Dynamics ◽

Induced Crystallization ◽

Flow Induced Crystallization ◽

Non Equilibrium

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Stress induced crystallization of amorphous materials and mechanical properties of nanocrystalline materials: a molecular dynamics simulation study

Acta Materialia ◽

10.1016/s1359-6454(03)00446-4 ◽

2003 ◽

Vol 51 (20) ◽

pp. 6233-6240 ◽

Cited By ~ 32

Author(s):

Byeong-Joo Lee ◽

Chong Soo Lee ◽

Jae Chul Lee

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Nanocrystalline Materials ◽

Amorphous Materials ◽

Dynamics Simulation ◽

Stress Induced Crystallization ◽

Induced Crystallization

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Molecular dynamics simulation of structure formation of short chain molecules

The Journal of Chemical Physics ◽

10.1063/1.478941 ◽

1999 ◽

Vol 110 (19) ◽

pp. 9757-9764 ◽

Cited By ~ 64

Author(s):

Susumu Fujiwara ◽

Tetsuya Sato

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structure Formation ◽

Dynamics Simulation ◽

Short Chain ◽

Chain Molecules

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Molecular dynamics simulation of deformation-induced crystallization mechanism in amorphous Ti3Al alloy

Acta Physica Sinica ◽

10.7498/aps.56.1489 ◽

2007 ◽

Vol 56 (3) ◽

pp. 1489

Author(s):

Wang Hai-Long ◽

Wang Xiu-Xi ◽

Wang Yu ◽

Liang Hai-Yi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Crystallization Mechanism ◽

Dynamics Simulation ◽

Induced Crystallization ◽

Ti3al Alloy

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Atomistic Molecular Dynamics simulation of short–chain branched polyethylene melts

Computer Aided Chemical Engineering - Multiscale Modelling of Polymer Properties ◽

10.1016/s1570-7946(06)80016-7 ◽

2006 ◽

pp. 333-357

Author(s):

Nikos Ch. Karayiannis ◽

Vlasis G. Mavrantzas ◽

Dimitrios Mouratides ◽

Elias Chiotellis ◽

Costas Kiparissides

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Short Chain ◽

Branched Polyethylene ◽

Polyethylene Melts

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