From 00ffa5cc10702c29f3978fb3164bc57e7421e342 Mon Sep 17 00:00:00 2001 From: To Quy-Dong <55282601+toquydong@users.noreply.github.com> Date: Tue, 14 Jan 2020 18:58:38 +0100 Subject: [PATCH] Create in.shearflow --- examples/wall/in.shearflow | 50 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 50 insertions(+) create mode 100644 examples/wall/in.shearflow diff --git a/examples/wall/in.shearflow b/examples/wall/in.shearflow new file mode 100644 index 0000000000..6e5629cc6e --- /dev/null +++ b/examples/wall/in.shearflow @@ -0,0 +1,50 @@ +units metal +dimension 3 +boundary p f p + +atom_style atomic +neighbor 2.0 bin + + +# create geometry + +lattice sc 10 +region box block 0 10 0 10 0 10 +create_box 1 box +create_atoms 1 box + +mass 1 39.95 + + + +# LJ potentials + +pair_style lj/cut 8.5 +pair_coeff * * 0.01 3.4 8.5 + + +# initial velocities + + +velocity all create 300 482748 +fix 1 all nve + + +# Mirror reflection +#fix ywalls all wall/reflect ylo EDGE yhi EDGE + +# Diffusive reflection, upper wall velocity = 0.1, lower wall fixed +#fix ywalls all wall/stochastic diffusive 2308 ylo EDGE 300 0 0 0 yhi EDGE 300 0.1 0 0 + +# Maxwell wall, upper wall velocity = 0.1, lower wall fixed, accommodation coefficient = 0.2 for both walls +#fix ywalls all wall/stochastic maxwell ylo EDGE 300 0 0 0 0.2 yhi EDGE 300 0 0 0.1 0.2 + +# Diffusive reflection, upper wall velocity = 0.1, lower wall fixed, accommodation coefficients = 0.1, 0.2 and 0.3 along directions x,y,z +fix ywalls all wall/reflect/stochastic 345533 cercignanilampis ylo EDGE 300 0 0 0 0.1 0.2 0.3 yhi EDGE 300 0.1 0 0 0.1 0.2 0.3 + +# Run + + +thermo 1000 + +run 1000000