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51

Temperature induced transition from acceleration to deceleration of the diffusion of polymers by soft nanoparticles in their composite

Jiao, Gui-Sheng, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Chemical Physics Letters

Year:

2017

Language:

english

File:

PDF, 1.62 MB

english, 2017

52

Temperature Effect on Interfacial Structure and Dynamics Properties in Polymer/Single-Chain Nanoparticle Composite

Jia, Xiang-Meng, Shi, Rui, Jiao, Gui-Sheng, Chen, Tao, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Macromolecular Chemistry and Physics

Year:

2017

Language:

english

File:

PDF, 1.67 MB

english, 2017

53

Quantum chemical molecular dynamics simulation of carbon nanotube–graphene fusion

Qian, Hu-Jun, Eres, Gyula, Irle, Stephan

Journal:

Molecular Simulation

Year:

2017

Language:

english

File:

PDF, 3.37 MB

english, 2017

54

Chelation Competition Induced Polymerization (CCIP): A Binding Energy Based Strategy for Nonspherical Polymer Nanocontainers’ Fabrication

Xiang, Siyuan, Qian, Hu-Jun, Chen, Yixin, Zhang, Kai, Shi, Yanhong, Liu, Wendong, Sun, Haizhu, Sun, Hongchen, Yang, Bai

Journal:

Chemistry of Materials

Year:

2017

Language:

english

File:

PDF, 1.92 MB

english, 2017

55

Disperse cyclic diblock copolymer: another promising candidate for fabricating irregular bicontinuous structure

Jiao, Gui-Sheng, Li, Yue, Qian, Hu-Jun, Liu, Jian, Lu, Zhong-Yuan

Journal:

Molecular Simulation

Year:

2017

Language:

english

File:

PDF, 2.63 MB

english, 2017

56

A hybrid parallel architecture for electrostatic interactions in the simulation of dissipative particle dynamics

Yang, Sheng-Chun, Lu, Zhong-Yuan, Qian, Hu-Jun, Wang, Yong-Lei, Han, Jie-Ping

Journal:

Computer Physics Communications

Year:

2017

Language:

english

File:

PDF, 1.12 MB

english, 2017

57

Effects of Stereo-regularity on the Single-chain Mechanics of Polylactic Acid and Its Implications on the Physical Properties of the Bulk Materials

Cui, Shuxun, Cheng, Bo, Qian, Lu, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Year:

2017

Language:

english

File:

PDF, 532 KB

english, 2017

58

Multiscale Simulations of Ligand Adsorption and Exchange on Gold Nanoparticles

Gao, Huimin, Liu, Hong, Qian, Hu-Jun, Jiao, Gui-Sheng, Lu, Zhong-Yuan

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 6.05 MB

english, 2017

59

Employing multi-GPU power for molecular dynamics simulation: an extension of GALAMOST

Zhu, You-Liang, Pan, Deng, Li, Zhan-Wei, Liu, Hong, Qian, Hu-Jun, Zhao, Yang, Lu, Zhong-Yuan, Sun, Zhao-Yan

Journal:

Molecular Physics

Year:

2018

Language:

english

File:

PDF, 1.37 MB

english, 2018

60

Distribution of the Number of Polymer Chains Grafted on Nanoparticles Fabricated by Grafting-to and Grafting-from Procedures

Liu, Hong, Zhao, Huan-Yu, Müller-Plathe, Florian, Qian, Hu-Jun, Sun, Zhao-Yan, Lu, Zhong-Yuan

Journal:

Year:

2018

Language:

english

File:

PDF, 2.62 MB

english, 2018

61

Interfacial Properties and Hopping Diffusion of Small Nanoparticle in Polymer/Nanoparticle Composite with Attractive Interaction on Side Group

Ren, Kai-Xin, Jia, Xiang-Meng, Jiao, Gui-Sheng, Chen, Tao, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Year:

2018

Language:

english

File:

PDF, 3.14 MB

english, 2018

62

Translational and rotational dynamics of an ultra-thin nanorod probe particle in linear polymer melts

Li, Shu-Jia, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.48 MB

english, 2018

63

Towards Unveiling the Exact Molecular Structure of Amorphous Red Phosphorus by Single-molecule Studies

Cui, Shuxun, Zhang, Song, Qian, Hu-jun, Lu, Zhong-yuan, Liu, Zhonghua, Zhang, Haiming, Chi, Lifeng, Ju, Hongyu

Journal:

Angewandte Chemie International Edition

Year:

2018

Language:

english

File:

PDF, 1.24 MB

english, 2018

64

Towards Unveiling the Exact Molecular Structure of Amorphous Red Phosphorus by Single-molecule Studies

Cui, Shuxun, Zhang, Song, Qian, Hu-jun, Lu, Zhong-yuan, Liu, Zhonghua, Zhang, Haiming, Chi, Lifeng, Ju, Hongyu

Journal:

Angewandte Chemie

Year:

2018

Language:

english

File:

PDF, 1.24 MB

english, 2018

65

Versatile fabrication of patchy nanoparticles via patterning of grafted diblock copolymers on NP surface

Yu, Linxiuzi, Shi, Rui, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 3.75 MB

english, 2019

66

A simulation study on the glass transition behavior and the relevant segmental dynamics in free-standing polymer nanocomposite films

Li, Shu-Jia, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Year:

2019

Language:

english

File:

PDF, 1.84 MB

english, 2019

67

Multiscale Self-Assembly of Mobile-Ligand Molecular Nanoparticles for Hierarchical Nanocomposites

Chai, Shengchao, Cao, Xiao, Xu, Fengrui, Zhai, Liang, Qian, Hu-Jun, Chen, Quan, Wu, Lixin, Li, Haolong

Journal:

Year:

2019

Language:

english

File:

PDF, 2.19 MB

english, 2019

68

Dynamics and Reaction Kinetics of Coarse-Grained Bulk Vitrimers: A Molecular Dynamics Study

Wu, Jian-Bo, Li, Shu-Jia, Liu, Hong, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 2.39 MB

2019

69

A comparative study on dynamic heterogeneity of supercooled polymers under nano-confinements

Li, Shu-Jia, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 2.73 MB

2019

70

Interfacial Tuning of the Cavitation and Strain-Softening Behavior of Polymer/Nanoparticle Composites in the Glassy State

Shi, Rui, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Year:

2019

Language:

english

File:

PDF, 3.37 MB

english, 2019

71

Interfacial Tuning of the Cavitation and Strain-Softening Behavior of Polymer/Nanoparticle Composites in the Glassy State

Shi, Rui, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Year:

2019

File:

PDF, 3.37 MB

2019

72

An unexpected N-dependence in the viscosity reduction in all-polymer nanocomposite

Chen, Tao, Zhao, Huan-Yu, Shi, Rui, Lin, Wen-Feng, Jia, Xiang-Meng, Qian, Hu-Jun, Lu, Zhong-Yuan, Zhang, Xing-Xing, Li, Yan-Kai, Sun, Zhao-Yan

Journal:

Nature Communications

Year:

2019

File:

PDF, 941 KB

2019

73

Dissipative Particle Dynamics Simulation of Phase Behavior in Bolaamphiphilic Solution

SHIRASAKI, RyÅen, YOSHIKAI, Yuta, QIAN, Hu-jun, FUJIWARA, Susumu, TAMURA, Yuichi, NAKAMURA, Hiroaki

Journal:

Plasma and Fusion Research

Year:

2011

File:

PDF, 1.39 MB

2011

74

The interfacial structure and dynamics in a polymer nanocomposite containing small attractive nanoparticles: a full atomistic molecular dynamics simulation study

Jia, Xiang-Meng, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 6.46 MB

2020

75

Physical insights into stressâstrain process of polymers under tensile deformation via machine learning

Shi, Rui, Li, Shu-Jia, Yu, Linxiuzi, Qian, Hu-Jun, Lu, Zhong-Yuan

Journal:

Year:

2020

File:

PDF, 2.27 MB

2020

76

Editorial: tailor-made approaches on use of multiscale modeling for research on soft materials â capabilities, restrictions and future possibilities

Carbone, Paula, Faller, Roland, Qian, Hu-Jun, Reith, Dirk

Journal:

Year:

2020

File:

PDF, 507 KB

2020

77

Stabilization of complex morphologies in highly disperse AB diblock copolymers

Kim, Inho, Shi, Rui, Choe, Yeonji, Kim, Eun Ji, Kim, Bumjoon J., Qian, Hu-Jun, Li, Sheng

Journal:

Year:

2020

File:

PDF, 1.80 MB

2020