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tension results

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bauer
2017-02-03 09:08:31 +01:00
parent 8e528c71eb
commit ea93de98b2
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@@ -26,7 +26,7 @@ Function of state at different temperatures. 512 particles were simulated with a
Energy minimization for a box of 2048 particles at T=0.9 and Density=0.7 Energy minimization for a box of 2048 particles at T=0.9 and Density=0.7
## Coexisting liquid/vapor phases ## Coexisting liquid/vapor phases
2048 particles were inserted into a box at T=1.0 and density=0.85 (Dimensions 13.406/13.406/40.218), no tailcorrection, cutoff 2.5. The particles filled 1/3 of the box with vacuum space above and below the liquid slab. Finally, a simulation was run for 50000+5000 Cycles (each 2048 steps) writing a frame every cycle. **2048 particles** were inserted into a box at **T=1.0** and **density=0.85** (**Dimensions 13.406/13.406/40.218**), **no tailcorrection, cutoff 2.5**. The particles filled 1/3 of the box with vacuum space above and below the liquid slab. Finally, a simulation was run for **50000+5000 Cycles** (each 2048 steps) writing a frame every cycle.
Density profile avg. over the last 5000 cycles. Density profile avg. over the last 5000 cycles.
![Density profile](results/coexisting/density_z.png) ![Density profile](results/coexisting/density_z.png)
@@ -35,5 +35,9 @@ Density profile avg. over the last 5000 cycles.
Chemical potential over all 55000 cycles. z=11.07 and z=27.57 were chosen as liquid boundaries. For every frame, 100 particles insertions per phase were performed. Chemical potential over all 55000 cycles. z=11.07 and z=27.57 were chosen as liquid boundaries. For every frame, 100 particles insertions per phase were performed.
![Chemical potential](results/coexisting/chem_pot.png) ![Chemical potential](results/coexisting/chem_pot.png)
Surface tension: Running average over the last 5000 Cycles. **TODO shift virial** Surface tension: Running average over the last 5000 Cycles.
![Surface tension](results/coexisting/surface_tension.png) P_zz: -0.05981
P_xy: -0.06715
Tension: 0.14756
**TODO shift virial**
**TODO Large sampling is required here. Tension has lots of ups and downs over the 5000 steps (.1 to .25). Increase number of steps to get a better average.**