Morphological transition difference of linear and cyclic block copolymer with polymer blending in a selective solvent by combining dissipative particle dynamics and all-atom molecular dynamics simulations based on the ABEEM polarizable force field

RSC Advances ◽  
2014 ◽  
Vol 4 (94) ◽  
pp. 52083-52087
Author(s):  
Lin-Lin Liu ◽  
Zhong-Zhi Yang ◽  
Dong-Xia Zhao ◽  
Li-Dong Gong ◽  
Cui Liu
Keyword(s):  
Molecular Dynamics ◽  
Block Copolymer ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Morphological Transition ◽  
Selective Solvent ◽  
Polymer Blending ◽  
Polarizable Force Field ◽  
Cyclic Block ◽  
Dynamics Simulations

AAMD based on ABEEM PFF were performed to obtain reliable DPD parameters for morphological transition.

scholarly journals Correction: Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane

RSC Advances ◽  
2017 ◽  
Vol 7 (66) ◽  
pp. 41787-41787
Author(s):  
Yue Ma ◽  
Yuxiang Wang ◽  
Xuejian Deng ◽  
Guanggang Zhou ◽  
Shah Khalid ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Proton Conduction ◽  
Mesoscale Structure ◽  
Dynamics Simulations

Correction for ‘Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane’ by Yue Ma et al., RSC Adv., 2017, 7, 39676–39684.

scholarly journals Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane

RSC Advances ◽  
2017 ◽  
Vol 7 (63) ◽  
pp. 39676-39684 ◽  
Author(s):  
Yue Ma ◽  
Yuxiang Wang ◽  
Xuejian Deng ◽  
Guanggang Zhou ◽  
Sha Khalid ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Proton Conduction ◽  
Small Particles ◽  
Cluster Network ◽  
Mesoscale Structure ◽  
Dynamics Simulations

The blend morphologies evolve from disordered small particles to a regular PVDF cluster network, which were connected by SPEEK cylindrical channels.

scholarly journals A Generic Force Field for Simulating Native Protein Structures Using Dissipative Particle Dynamics

Soft Matter ◽  
2021 ◽  
Author(s):  
Rakesh K Vaiwala ◽  
Ganapathy Ayappa
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Protein Structures ◽  
Particle Dynamics ◽  
Coarse Grained ◽  
Native Protein ◽  
Dynamics Simulations

A coarse-grained force field for molecular dynamics simulations of native structures of proteins in a dissipative particle dynamics (DPD) framework is developed. The parameters for bonded interactions are derived by...

Phase diagrams of block copolymer melts by dissipative particle dynamics simulations

2013 ◽  
Vol 139 (22) ◽  
pp. 224901 ◽  
Author(s):  
Alexey A. Gavrilov ◽  
Yaroslav V. Kudryavtsev ◽  
Alexander V. Chertovich
Keyword(s):  
Block Copolymer ◽  
Phase Diagrams ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Copolymer Melts ◽  
Dynamics Simulations
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