Molecular dynamics study of water microclusters
✍ Scribed by Briant, C. L.; Burton, J. J.
- Book ID
- 120345049
- Publisher
- American Institute of Physics
- Year
- 1975
- Tongue
- English
- Weight
- 797 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.431822
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📜 SIMILAR VOLUMES
We have investigated the energetics and the structural stability of gold microclusters containing 3-7 atoms. Molecular-dynamics techniques are employed in the simulation. The potential energy function used in the calculations includes two-and three-body interactions which are represented by Lennard-
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 ¼ 1 g/cm 3 ) and lowered density (r ¼ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami