## Abstract Silicon nanowires, with the γ100γ and γ110γ growth directions and at several surface facet configurations, were investigated by molecular dynamics simulations. We considered three commonly used interatomic potentials for silicon, and tested the reliability of each model to describe sili
Preparation, structure, dynamics, and energetics of amorphous silicon: A molecular-dynamics study
β Scribed by Luedtke, W.; Landman, Uzi
- Book ID
- 115512914
- Publisher
- The American Physical Society
- Year
- 1989
- Tongue
- English
- Weight
- 722 KB
- Volume
- 40
- Category
- Article
- ISSN
- 1098-0121
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π SIMILAR VOLUMES
A practical method to create optimized amorphous silicon and silica structures for molecular dynamics simulations is developed and tested. The method is based on the Wooten, Winer, and Weaire algorithm and combination of small optimized blocks to larger structures. The method makes possible to perfo
We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ΒΌ 1 g/cm 3 ) and lowered density (r ΒΌ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami