Unformatted text preview: 3. Using “demo2” as a guide, perform a NVE MD simulation of a model ﬂuid with a LJ 6-8 potential: u ( r ) = 10 ² [( σ/r ) 8-( σ/r ) 6 ] Estimate the compressibility factor and internal energy at T * = 1 . 5 and ρ * = . 8, where standard LJ units are employed ( T * = k B T/² , ρ * = ρσ 3 ). Perform an error analysis. 4. Using “demo3” as a guide, perform an NVT MC simulation of the same LJ 6-8 ﬂuid as in problem 3 at the same temperature and density. Perform an error analysis and compare with your MD results....
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- Spring '09
- Thermodynamics, Glenn Fredrickson, Santa Barbara ChE, NVE MD