Lubricant characterization by molecular simulation
โ Scribed by J. D. Moore; S. T. Cui; P. T. Cummings; H. D. Cochran
- Publisher
- American Institute of Chemical Engineers
- Year
- 1997
- Tongue
- English
- Weight
- 347 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0001-1541
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๐ SIMILAR VOLUMES
## Abstract Molecular dynamics simulation using the new fit of the empirical Tersoff Potential is applied to study the thermal properties of ZnSe at and below the room temperature. The resulting diffusivity and thermal conductivity are compared with the photoacoustic measurements on the grown ZnSe
We have performed 128 folding and 45 unfolding molecular dynamics runs of chymotrypsin inhibitor 2 (CI2) with an implicit solvation model for a total simulation time of 0.4 microseconds. Folding requires that the three-dimensional structure of the native state is known. It was simulated at 300 K by