scholarly journals Constructing many-body dissipative particle dynamics models of fluids from bottom-up coarse-graining

2021 ◽  
Vol 154 (8) ◽  
pp. 084122
Author(s):  
Yining Han ◽  
Jaehyeok Jin ◽  
Gregory A. Voth
Keyword(s):  
Dissipative Particle Dynamics ◽  
Coarse Graining ◽  
Particle Dynamics ◽  
Many Body ◽  
Bottom Up ◽  
Dynamics Models

Construction of dissipative particle dynamics models for complex fluids via the Mori–Zwanzig formulation

Soft Matter ◽  
2014 ◽  
Vol 10 (43) ◽  
pp. 8659-8672 ◽  
Author(s):  
Zhen Li ◽  
Xin Bian ◽  
Bruce Caswell ◽  
George Em Karniadakis
Keyword(s):  
Force Fields ◽  
Complex Fluids ◽  
Dissipative Particle Dynamics ◽  
Coarse Graining ◽  
Particle Dynamics ◽  
Bottom Up ◽  
Dynamics Models ◽  
Microscopic Dynamics

We present a bottom-up coarse-graining procedure to construct mesoscopic force fields directly from microscopic dynamics.

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

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

A Many-Body Dissipative Particle Dynamics Study of Forced Water–Oil Displacement in Capillary

Langmuir ◽  
2011 ◽  
Vol 28 (2) ◽  
pp. 1330-1336 ◽  
Author(s):  
Chen Chen ◽  
Lin Zhuang ◽  
Xuefeng Li ◽  
Jinfeng Dong ◽  
Juntao Lu
Keyword(s):  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Many Body ◽  
Oil Displacement

THE SIMULATION OF POLYSTYRENE/NANOPARTICLES COMPOSITE MICROSPHERES USING DISSIPATIVE PARTICLE DYNAMICS

2013 ◽  
Vol 12 (02) ◽  
pp. 1250111 ◽  
Author(s):  
HAILONG XU ◽  
QIUYU ZHANG ◽  
HEPENG ZHANG ◽  
BAOLIANG ZHANG ◽  
CHANGJIE YIN
Keyword(s):  
Dissipative Particle Dynamics ◽  
Sodium Dodecyl ◽  
Coarse Graining ◽  
Particle Dynamics ◽  
Coarse Grained ◽  
Polystyrene Nanoparticles ◽  
Coarse Grained Model ◽  
Composite Microspheres ◽  
Polystyrene Matrix ◽  
Materials Studio

Dissipative particle dynamics (DPD) was initially used to simulate the polystyrene/nanoparticle composite microspheres (PNCM) in this paper. The coarse graining model of PNCM was established. And the DPD parameterization of the model was represented in detail. The DPD repulsion parameters were calculated from the cohesive energy density which could be calculated by amorphous modules in Materials Studio. The equilibrium configuration of the simulated PNCM shows that the nanoparticles were actually "modified" with oleic acid and the modified nanoparticles were embedded in the bulk of polystyrene. As sodium dodecyl sulfate (SDS) was located in the interface between water and polystyrene, the hydrophilic head of SDS stretched into water while the hydrophobic tailed into polystyrene. All simulated phenomena were consistent with the experimental results in preparation of polystyrene/nanoparticles composite microspheres. The effect of surface modification of nanoparticles on its dispersion in polystyrene matrix was also studied by adjusting the interaction parameters between the OA and NP beads. The final results indicated that the nanoparticles removed from the core of composite microsphere to the surface with increase of a OA-NP . All the simulated results demonstrated that our coarse–grained model was reasonable.

Coarse-Graining of Chain Models in Dissipative Particle Dynamics Simulations†

2011 ◽  
Vol 50 (1) ◽  
pp. 69-77 ◽  
Author(s):  
Justin R. Spaeth ◽  
Todd Dale ◽  
Ioannis G. Kevrekidis ◽  
Athanassios Z. Panagiotopoulos
Keyword(s):  
Dissipative Particle Dynamics ◽  
Coarse Graining ◽  
Particle Dynamics ◽  
Dynamics Simulations

A Many-Body Dissipative Particle Dynamics Study of Spontaneous Capillary Imbibition and Drainage

Langmuir ◽  
2010 ◽  
Vol 26 (12) ◽  
pp. 9533-9538 ◽  
Author(s):  
Chen Chen ◽  
Chunning Gao ◽  
Lin Zhuang ◽  
Xuefeng Li ◽  
Pingcang Wu ◽  
...  
Keyword(s):  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Many Body ◽  
Capillary Imbibition
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