A molecular dynamics simulation of liquid-vapor interfaces in two dimensions
โ Scribed by J.H. Sikkenk; H.J. Hilhorst; A.F. Bakker
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 623 KB
- Volume
- 131
- Category
- Article
- ISSN
- 0378-4371
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โฆ Synopsis
We report a simulation of a two-dimensional system of Lennard-Jones particles, carried out on a special purpose molecular dynamics hardware processor.
We study the behaviour of the liquidvapor interface in fwo dimensions.
The interface width is observed to diverge as a function of the interface length in accordance with capillary wave theory. Also the transverse structure function is seen to diverge for small wavenumbers, which indicates the development of long wavelength correlations along the interface.
๐ SIMILAR VOLUMES
## Abstract Molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide an atomistic view of chemical systems and processes that is not obtainable through experiment. However, largeโscale MD simulations require access to multicore clusters or supercomputer
In this paper, we focus on the microscopic structure of the liquid-vapor interface and the effect of impurities such as surfactants or electrolytes in the aqueous solution on interfacial properties. We perform molecular dynamics (MD) simulations of a simple planar interface system and a bubble syste