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Phys Rev 061201, p. 67-68, 2003 -# Results -Some results obtained during the creation of this project - ## Function of State Function of state at different temperatures. 512 particles were simulated with applied potential shift and tailcorrection. Displacement scaled to have 33% acceptance rate during 1mio steps. Averages over 100k steps. -![Function of state](results/FoS/FoS.png) +![Function of state](FoS.png) -![Minimization](results/energy_minimization/energy_minimization.png) -Energy minimization for a box of 2048 particles at T=0.9 and Density=0.7 - -## 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. - -Density profile avg. over the last 5000 cycles. -![Density profile](results/coexisting/density_z.png) - - -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) - -Surface tension: Running average over the last 5000 Cycles. -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.**