Application of Berendsen barostat in dissipative particle dynamics for nonequilibrium dynamic simulation

2017 ◽  
Vol 146 (12) ◽  
pp. 124108 ◽  
Author(s):  
Yuqing Lin ◽  
Dingyi Pan ◽  
Jiaming Li ◽  
Lingxin Zhang ◽  
Xueming Shao
Keyword(s):  
Dynamic Simulation ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Nonequilibrium Dynamic

Microhydrodynamics with Dissipative Particle Dynamics

1995 ◽  
Vol 407 ◽  
Author(s):  
Pep Español ◽  
Ignacio Zúñiga
Keyword(s):  
Simple Model ◽  
Molecular Dynamic Simulation ◽  
Dynamic Simulation ◽  
Theoretical Foundation ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Coarse Grained ◽  
Model Parameters ◽  
Hydrodynamic Properties ◽  
Insight Into

ABSTRACTDissipative particle dynamics is essentially a coarse-grained molecular dynamic simulation technique that captures the essential physics with considerably less computer effort. We have given a sound theoretical foundation to the technique with respect to the equilibrium and hydrodynamic properties. In this paper we further explore the connection of the model parameters of DPD with the underlying microscopic dynamics for the case of a simple model of a solid. This provides some insight into the difficulties of interpretation of DPD simulations.

ELECTROWETTING-INDUCED DROPLET JUMPING SIMULATION USING MANY-BODY DISSIPATIVE PARTICLE DYNAMICS

2019 ◽  
Author(s):  
Ting Liu ◽  
Anupam Mishra ◽  
Mohsen Torabi ◽  
Ahmed A. Hemeda ◽  
James Palko ◽  
...  
Keyword(s):  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Many Body

The Self-Assembly of an Amphiphilic Block Copolymer: A Dissipative Particle Dynamics Study

2005 ◽  
Vol 42 (3) ◽  
pp. 180-183 ◽  
Author(s):  
S. G. Schulz ◽  
U. Frieske ◽  
H. Kuhn ◽  
G. Schmid ◽  
F. Müller ◽  
...  
Keyword(s):  
Block Copolymer ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Amphiphilic Block Copolymer

Many-body dissipative particle dynamics study of the local slippage over superhydrophobic surfaces

2021 ◽  
Vol 33 (7) ◽  
pp. 072001
Author(s):  
Liuzhen Ren ◽  
Haibao Hu ◽  
Luyao Bao ◽  
Mengzhuo Zhang ◽  
Jun Wen ◽  
...  
Keyword(s):  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Superhydrophobic Surfaces ◽  
Many Body ◽  
Local Slippage

Nonequilibrium Simulations of Lamellae Forming Block Copolymers under Steady Shear: A Comparison of Dissipative Particle Dynamics and Brownian Dynamics

2012 ◽  
Vol 45 (19) ◽  
pp. 8109-8116 ◽  
Author(s):  
Brandon L. Peters ◽  
Abelardo Ramírez-Hernández ◽  
Darin Q. Pike ◽  
Marcus Müller ◽  
Juan J. de Pablo
Keyword(s):  
Block Copolymers ◽  
Brownian Dynamics ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Steady Shear

scholarly journals Towards bio-inspired artificial muscle: a mechanism based on electro-osmotic flow simulated using dissipative particle dynamics

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Ramin Zakeri
Keyword(s):  
Zeta Potential ◽  
Electric Field ◽  
Dissipative Particle Dynamics ◽  
Artificial Muscle ◽  
Particle Dynamics ◽  
Polymer Membrane ◽  
Channel Width ◽  
Micro Channel ◽  
Osmotic Flow ◽  
Electro Osmotic Flow

AbstractOne of the unresolved issues in physiology is how exactly myosin moves in a filament as the smallest responsible organ for contracting of a natural muscle. In this research, inspired by nature, a model is presented consisting of DPD (dissipative particle dynamics) particles driven by electro-osmotic flow (EOF) in micro channel that a thin movable impermeable polymer membrane has been attached across channel width, thus momentum of fluid can directly transfer to myosin stem. At the first, by validation of electro-osmotic flow in micro channel in different conditions with accuracy of less than 10 percentage error compared to analytical results, the DPD results have been developed to displacement of an impermeable polymer membrane in EOF. It has been shown that by the presence of electric field of 250 V/m and Zeta potential − 25 mV and the dimensionless ratio of the channel width to the thickness of the electric double layer or kH = 8, about 15% displacement in 8 s time will be obtained compared to channel width. The influential parameters on the displacement of the polymer membrane from DPD particles in EOF such as changes in electric field, ion concentration, zeta potential effect, polymer material and the amount of membrane elasticity have been investigated which in each cases, the radius of gyration and auto correlation velocity of different polymer membrane cases have been compared together. This simulation method in addition of probably helping understand natural myosin displacement mechanism, can be extended to design the contraction of an artificial muscle tissue close to nature.

scholarly journals Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends

Polymers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 1516
Author(s):  
Dongmei Liu ◽  
Kai Gong ◽  
Ye Lin ◽  
Tao Liu ◽  
Yu Liu ◽  
...  
Keyword(s):  
Interfacial Tension ◽  
Chain Length ◽  
Triblock Copolymer ◽  
Diblock Copolymers ◽  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Interfacial Properties ◽  
Particle Dynamics ◽  
Polymeric Blends ◽  
Polymer Component

We investigated the interfacial properties of symmetric ternary An/AmBm/Bn and An/Am/2BmAm/2/Bn polymeric blends by means of dissipative particle dynamics (DPD) simulations. We systematically analyzed the effects of composition, chain length, and concentration of the copolymers on the interfacial tensions, interfacial widths, and the structures of each polymer component in the blends. Our simulations show that: (i) the efficiency of the copolymers in reducing the interfacial tension is highly dependent on their compositions. The triblock copolymers are more effective in reducing the interfacial tension compared to that of the diblock copolymers at the same chain length and concentration; (ii) the interfacial tension of the blends increases with increases in the triblock copolymer chain length, which indicates that the triblock copolymers with a shorter chain length exhibit a better performance as the compatibilizers compared to that of their counterparts with longer chain lengths; and (iii) elevating the triblock copolymer concentration can promote copolymer enrichment at the center of the interface, which enlarges the width of the phase interfaces and reduces the interfacial tension. These findings illustrate the correlations between the efficiency of copolymer compatibilizers and their detailed molecular parameters.

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