Molecular dynamics simulations of self-diffusion coefficients in binary isotopic Lennard-Jones solutions
β Scribed by Bearman, Richard J.; Jolly, Donn L.
- Book ID
- 121430459
- Publisher
- Taylor and Francis Group
- Year
- 1984
- Tongue
- English
- Weight
- 784 KB
- Volume
- 52
- Category
- Article
- ISSN
- 0026-8976
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## Abstract The diffusion coefficient is indispensable to chemical engineering design and research. In practical engineering and research, there is still a great lack of available data. Therefore, methods need to be developed to solve this problem. In this paper, a molecular dynamics simulation met
Molecular dynamics simulation is used IO smdy syslemalically the dependence of atomic self-diffusion in a thin iilm Lennard-Jones system on temperature. densizy. and ihe film thickness. Known (three-dimensional) bulk behavior is reproduced for a film only 5-I layers thick. The Lime needed lor dillLs