MOLECULAR DYNAMIC STUDY OF A SINGLE DISLOCATION IN A TWO-DIMENSIONAL LENNARD–JONES SYSTEM
✍ Scribed by ROBLES, MIGUEL; MUSTONEN, VILLE; KASKI, KIMMO
- Book ID
- 120998578
- Publisher
- World Scientific Publishing Company
- Year
- 2003
- Tongue
- English
- Weight
- 741 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0129-1831
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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
An MD simulJtlon of 216 ST? water n~oIccules between 12-6 Lennard-Jones \wlls has been performed which extend OI:Y 20 ps at an ;~\er+x temperature of 287 I;. The oxygen atom density profile is reported and the influence of the walls on the orientation of the ester molecules and on the sclfdiffusion