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publications

Revisiting the dispersion mechanism of grafted nanoparticles in polymer matrix: a detailed molecular dynamics simulation

Published in Langmuir, 2011

Paper on the dispersion of grafted nanoparticles in polymer matrix

Recommended citation: Jianxiang Shen, Jun Liu, Yangyang Gao, Dapeng Cao and Liqun Zhang*. “Revisiting the dispersion mechanism of grafted nanoparticles in polymer matrix: a detailed molecular dynamics simulation.” Langmuir : the ACS journal of surfaces and colloids 27 24 (2011): 15213-15222. https://doi.org/10.1021/la203182u

Elucidating and tuning the strain-induced non-linear behavior of polymer nanocomposites: a detailed molecular dynamics simulation study

Published in Soft Matter, 2014

Paper on the strain-induced nonlinear behavior of polymer nanocomposites - similar to “Payne effect”

Recommended citation: Jianxiang Shen, Jun Liu, Yangyang Gao, Xiaolin Li and Liqun Zhang*. “Elucidating and tuning the strain-induced non-linear behavior of polymer nanocomposites: a detailed molecular dynamics simulation study.” Soft matter 10 28 (2014): 5099-5113. https://doi.org/10.1039/C4SM00233D

Molecular dynamics simulations of the structural, mechanical and visco-elastic properties of polymer nanocomposites filled with grafted nanoparticles

Published in Physical chemistry chemical physics: PCCP, 2015

Paper on the structural, mechanical and visco-elastic properties of polymer nanocomposites filled with grafted nanoparticles.

Recommended citation: Jianxiang Shen, Jun Liu, Haidong Li, Yangyang Gao, Xiaolin Li, Youping Wu and Liqun Zhang*. “Molecular dynamics simulations of the structural, mechanical and visco-elastic properties of polymer nanocomposites filled with grafted nanoparticles.” Physical chemistry chemical physics : PCCP 17 11 (2015): 7196-7207. https://doi.org/10.1039/C4CP05520A

Insight into the Dispersion Mechanism of Polymer-Grafted Nanorods in Polymer Nanocomposites: A Molecular Dynamics Simulation Study

Published in Macromolecules, 2017

Paper on the dispersion mechanism of grafted nanorods in polymer matrix

Recommended citation: Jianxiang Shen*, Xue Li, Xiaojun Shen and Jun Liu*. “Insight into the Dispersion Mechanism of Polymer-Grafted Nanorods in Polymer Nanocomposites: A Molecular Dynamics Simulation Study.” Macromolecules 50 (2017): 687-699. https://doi.org/10.1021/acs.macromol.6b02284

Mechanical and Viscoelastic Properties of Polymer-Grafted Nanorod Composites from Molecular Dynamics Simulation

Published in Macromolecules, 2018

Paper on the mechanical and viscoelastic properties of nanorod/polymer nanocomposites, focusing on the nonlinear behavior of “Payne effect”

Recommended citation: Jianxiang Shen*, Xue Li, Liqun Zhang, Xiangsong Lin, Haidong Li, Xiaojun Shen, Venkat Ganesan* and Jun Liu*. “Mechanical and Viscoelastic Properties of Polymer-Grafted Nanorod Composites from Molecular Dynamics Simulation.” Macromolecules 51 (2018): 2641-2652. https://doi.org/10.1021/acs.macromol.8b00183

Revisiting stress–strain behavior and mechanical reinforcement of polymer nanocomposites from molecular dynamics simulations

Published in Physical chemistry chemical physics: PCCP, 2020

Paper on the stress-strain behavior and mechanical reinforcement of polymer nanocomposites

Recommended citation: Jianxiang Shen*, Xiangsong Lin, Jun Liu and Xue Li*. “Revisiting stress-strain behavior and mechanical reinforcement of polymer nanocomposites from molecular dynamics simulations.” Physical chemistry chemical physics : PCCP 22 (2020): 16760-16771. https://doi.org/10.1039/D0CP02225J

Preparation and properties of a novel poly(lactic-acid)-based thermoplastic vulcanizate from both experiments and simulations

Published in RSC Advances, 2022

Paper on a novel thermoplastic vulcanizate consisting of poly(lactic acid) (PLA) and a novel polymeric slide ring material (SeRM)

Recommended citation: Xue Li*, Hailan Kang, Qiulan Luo and Jianxiang Shen*. “Preparation and properties of a novel poly(lactic-acid)-based thermoplastic vulcanizate from both experiments and simulations.” RSC Advances 12 (2022): 9534 - 9542. https://doi.org/10.1039/D2RA00286H

Exploring thermodynamic and structural properties of carbon nanotube/thermoplastic polyurethane nanocomposites from atomistic molecular dynamics simulations

Published in RSC Advances, 2023

Paper on carbon nanotube/thermoplastic polyurethane nanocomposites from atomistic molecular dynamics simulations

Recommended citation: Jianxiang Shen, Xue Li*, Ping Li, and Baoqing Shentu*. “ Exploring thermodynamic and structural properties of carbon nanotube/thermoplastic polyurethane nanocomposites from atomistic molecular dynamics simulations.” RSC Advances 13 (2023): 21080-21087. https://doi.org/10.1039/D3RA03000H

Correlating structure-mechanics relationship of multiblock copolymers: Insights from molecular dynamics simulation

Published in Polymer, 2023

Paper on structure-mechanics relationship of multiblock copolymers

Recommended citation: Wanhui Huang, Qionghai Chen, Pengwei Duan, Liqun Zhang, Jianxiang Shen*, and Jun Liu*. “ Correlating structure-mechanics relationship of multiblock copolymers: Insights from molecular dynamics simulation” Polymer 285 (2023): 126357. https://www.sciencedirect.com/science/article/pii/S0032386123006870

Structural and dynamical properties of thermoplastic polyurethane/fullerene nanocomposites: a molecular dynamics simulations study

Published in Physical chemistry chemical physics: PCCP, 2023

Paper on atomistic simulation results of thermoplastic polyurethane/fullerene nanocomposites

Recommended citation: Jianxiang Shen, Xue Li*, Ping Li, and Baoqing Shentu*. “Structural and dynamical properties of thermoplastic polyurethane/fullerene nanocomposites: a molecular dynamics simulations study” Physical chemistry chemical physics : PCCP 25 (2023): 27352-27363. https://doi.org/10.1039/D3CP03809B

talks

teaching

Polymer Synthesis Processes (高聚物合成工艺学)

Undergraduate course, Jiaxing University, Department of Polymer Materials and Science, 2022

The course provides an overview of the chemical processes and principles involved in the synthesis of different types of polymers molecules.