DocumentCode :
3236770
Title :
Molecular dynamics simulation of interactions between a nano water droplet and an isothermal platinum surface
Author :
Yang, Tzung Han ; Pan, Chin ; Hsieh, Hon Ming
Author_Institution :
Dept. of Eng. & Syst. Sci., Nat. Tsing Hua Univ., Hsinchu
fYear :
2008
fDate :
6-9 Jan. 2008
Firstpage :
1129
Lastpage :
1133
Abstract :
This present work investigates the interactions between a nano-water droplet and an isothermal platinum surface based on molecular dynamics simulations. The droplet is initially at some nano distance from the surface. The interactions between two water molecules are treated by the well-known TIP4P potential model, while the platinum surface is modeled by one layer of harmonic molecules with phantom atoms right below to control the temperature. The interactions between water molecules and platinum atom are treated by the S-H model. The simulations demonstrate various different physical processes including: contact, spreading, thin film evaporation and dryout, nucleation of vapor condensation, and agglomeration of clusters to form a single droplet. Effect of temperature and the initial distance between the droplet and surface are also explored. The simulations illustrate that the spreading radius is approximately proportional to the square root of time and the surface diffusion coefficient increases with increase in temperature.
Keywords :
drops; evaporation; film condensation; liquid films; liquid theory; molecular dynamics method; nucleation; platinum; surface diffusion; water; H2O; Pt; S-H model; TIP4P potential model; agglomeration; harmonic molecules; isothermal platinum surface; molecular dynamics simulations; nano-water droplet; nucleation; phantom atoms; surface diffusion coefficient; thin film evaporation; vapor condensation; water molecules; Argon; Atomic layer deposition; Dynamic programming; Isothermal processes; Platinum; Solids; Surface treatment; Systems engineering and theory; Temperature; Transistors; Condensation nucleation; Molecular dynamics; Nano droplet; Spreading; Thin film evaporation;
fLanguage :
English
Publisher :
ieee
Conference_Titel :
Nano/Micro Engineered and Molecular Systems, 2008. NEMS 2008. 3rd IEEE International Conference on
Conference_Location :
Sanya
Print_ISBN :
978-1-4244-1907-4
Electronic_ISBN :
978-1-4244-1908-1
Type :
conf
DOI :
10.1109/NEMS.2008.4484516
Filename :
4484516
Link To Document :
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