38 lines
597 B
Plaintext
38 lines
597 B
Plaintext
units metal
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dimension 3
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boundary p f p
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atom_style atomic
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neighbor 2.0 bin
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# create geometry
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lattice sc 10
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region box block 0 10 0 10 0 10
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create_box 1 box
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create_atoms 1 box
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mass 1 39.95
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# LJ potentials
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pair_style lj/cut 8.5
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pair_coeff * * 0.01 3.4 8.5
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# initial velocities
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velocity all create 300 482748
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fix 1 all nve
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# Maxwellian reflection
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# upper wall velocity = 0.1, lower wall fixed,
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# accommodation coefficient = 0.2 for both walls
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fix ywalls all wall/reflect/stochastic maxwell 29839 &
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ylo EDGE 300 0 0 0 0.2 yhi EDGE 300 0 0 0.1 0.2
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# run
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thermo 1000
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run 10000
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