From ea93de98b25fb83e6db08765176e3d8df1c8c7c4 Mon Sep 17 00:00:00 2001 From: bauer Date: Fri, 3 Feb 2017 09:08:31 +0100 Subject: [PATCH] tension results --- README.md | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index 5486e68..2f0398f 100644 --- a/README.md +++ b/README.md @@ -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 ## 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](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](results/coexisting/chem_pot.png) -Surface tension: Running average over the last 5000 Cycles. **TODO shift virial** -![Surface tension](results/coexisting/surface_tension.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.**