Static and dynamic behavior of water droplet on solid surfaces with pillar-type nanostructures from molecular dynamics simulation

2014 ◽  
Vol 79 ◽  
pp. 647-654 ◽  
Author(s):  
D. Niu ◽  
G.H. Tang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamic Behavior ◽  
Water Droplet ◽  
Solid Surfaces ◽  
Dynamics Simulation

MOLECULAR DYNAMICS SIMULATION OF PULSED LASER ABLATION

2011 ◽  
Vol 25 (04) ◽  
pp. 543-550 ◽  
Author(s):  
XIU-FANG GONG ◽  
GONG-XIAN YANG ◽  
PENG LI ◽  
YIN WANG ◽  
XI-JING NING
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Pulsed Laser ◽  
Pulsed Laser Ablation ◽  
Laser Pulses ◽  
Solid Surfaces ◽  
Dynamics Simulation ◽  
Angular Distributions ◽  
Adiabatic Expansion ◽  
Expansion Model

We have developed a simplified molecular-dynamical model for simulating ablation of solid surfaces by laser pulses, and specifically investigated expansion of Cu cloud in vacuum vaporized on the surface, showing that the angular distributions of the plume depend on the shape of the laser spot on the surface. In particular, experimentally observed flipover effects have been obtained, and an adiabatic constant determined from our simulations via an adiabatic expansion model agrees well with previous measurements.

Molecular docking and molecular dynamics simulation studies on the adsorption/desorption behavior of bone morphogenetic protein-7 on the β-tricalcium phosphate surface

2020 ◽  
Vol 22 (29) ◽  
pp. 16747-16759
Author(s):  
Xiaoyu Zhao ◽  
Zhiyu Xue ◽  
Kefeng Wang ◽  
Xin Wang ◽  
Dingguo Xu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Molecular Dynamics Simulation ◽  
Dynamic Behavior ◽  
Tricalcium Phosphate ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Bone Morphogenetic Protein 7 ◽  
Morphogenetic Protein ◽  
Adsorption Desorption

Combining Rosetta Docking, MD, and SMD, we investigated the adsorption/desorption dynamic behavior of BMP-7 on β-TCP (001) Ca-rich and P-rich surfaces.

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