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Density-wave-modulated crystallization in nanoscale silicon films and droplets
Yongjun Lü1, Qingling Bi1, Xinqing Yan1
1School of Physics, Beijing Institute of Technology, Beijing 100081, People's Republic of China.
The Journal of Chemical Physics
|June 24, 2016
Summary
Free surfaces influence liquid crystallization. Molecular dynamics simulations reveal ripple-like nucleation probability in silicon films and droplets due to density fluctuations and structural order waves.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Computational Chemistry
Background:
- Free surfaces significantly impact the crystallization of tetrahedral liquids.
- The precise mechanism of this surface influence remains incompletely understood.
Purpose of the Study:
- To elucidate the influence mechanism of free surfaces on the crystallization of tetrahedral liquids.
- To investigate the spatial distribution of nucleation probability in nanoscale systems.
Main Methods:
- Molecular dynamics simulations were employed to study nanoscale silicon films and droplets.
- Analysis involved relating structural order to density fluctuations and employing a density wave equation.
Main Results:
- Nucleation probability exhibits a spatial ripple-like distribution in nanoscale silicon films and droplets.
- This distribution is attributed to structural order waves induced by density fluctuations from volume expansion in confined environments.
- Analytic results based on the density wave equation accurately predict observed nucleation probability distributions.
Conclusions:
- The study reveals the underlying mechanism of surface-assisted nucleation in tetrahedral liquids.
- Provides a comprehensive description of crystallization phenomena in liquid films and droplets.
