A Molecular Dynamics technique is proposed to simulate the motion of water nano-droplets on brushlike nanopillar and wavelike nanorough surfaces. Firstly, a brushlike nanopillar structure is obtained by deposition of a hexagonal packing of alkyl linear chains CnH2n+1 (n = 1–18) on a (0001) type flat surface, consisted of hexagonal packed carbon atoms. Distance between the grafted alkyl chains is selected in the 0.5–1.4 nm range, and the distance between the carbon atoms of the base surface is set to 0.1421nm. Next, the (0001) type flat surface is folded in order to obtain a wavelike nano-roughness. Water cluster is consisted of 729–2197 molecules, and after 25ps it reaches a diameter of 3–5 nm, which corresponds to a liquid phase of 1g/cm3 density, at an equilibrium temperature of 293K. Lennard-Jones potential is used to describe all the interactions into the considered system. By the appropriate input of the Lennard-Jones parameters one controls the hydrophilic level of the base surface. Influences of the intermolecular distance and the length of the grafted alkyls, as well as the influences of the nano-wavelength and the hydrophilic level of the base surface on the contact angle are illustrated. Such results are useful for the appropriate design of ultrahydrophobic nano-surfaces, and for the optimal design of nanoporous materials, able to produce surface dissipation of the mechanical energy.
Skip Nav Destination
2007 First International Conference on Integration and Commercialization of Micro and Nanosystems
January 10–13, 2007
Sanya, Hainan, China
Conference Sponsors:
- Nanotechnology Institute
ISBN:
0-7918-4265-7
PROCEEDINGS PAPER
Molecular Dynamics Study of Wetting on Brushlike Nanopillar and Wavelike Nanorough Surfaces
Claudiu Valentin Suciu
Claudiu Valentin Suciu
Fukuoka Institute of Technology, Fukuoka, Japan
Search for other works by this author on:
Claudiu Valentin Suciu
Fukuoka Institute of Technology, Fukuoka, Japan
Paper No:
MNC2007-21210, pp. 1027-1034; 8 pages
Published Online:
June 8, 2009
Citation
Suciu, CV. "Molecular Dynamics Study of Wetting on Brushlike Nanopillar and Wavelike Nanorough Surfaces." Proceedings of the 2007 First International Conference on Integration and Commercialization of Micro and Nanosystems. First International Conference on Integration and Commercialization of Micro and Nanosystems, Parts A and B. Sanya, Hainan, China. January 10–13, 2007. pp. 1027-1034. ASME. https://doi.org/10.1115/MNC2007-21210
Download citation file:
7
Views
Related Proceedings Papers
Related Articles
Multiscale, Multiphenomena Modeling and Simulation at the Nanoscale: On Constructing Reduced-Order Models for Nonlinear Dynamical Systems With Many Degrees-of-Freedom
J. Appl. Mech (May,2003)
Dynamic Spreading of a Droplet Impinging on Micro-Textured Surfaces
J. Heat Transfer (August,2011)
Molecular Dynamics Study on Explosive Boiling of Thin Liquid Argon Film on Nanostructured Surface Under Different Wetting Conditions
J. Electron. Packag (March,2016)
Related Chapters
Natural Gas Transmission
Pipeline Design & Construction: A Practical Approach, Third Edition
Novel and Efficient Mathematical and Computational Methods for the Analysis and Architecting of Ultralight Cellular Materials and their Macrostructural Responses
Advances in Computers and Information in Engineering Research, Volume 2
Cavitation of Water Confined in Hydrophobic Nanoporous Materials
Proceedings of the 10th International Symposium on Cavitation (CAV2018)