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doc/src/fix_wall_diffusive.txt

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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov) link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

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fix wall/diffusive command :h3

[Syntax:]

fix ID group-ID wall/diffusive face pos temp velx vely velz keyword value ...
:pre

ID, group-ID are documented in "fix"_fix.html command :ulb,l
wall/diffusive = style name of this fix command :l
one or more face/arg pairs may be appended :l

face = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} :l
  {xlo},{ylo},{zlo} pos = EDGE or constant or variable
    EDGE = current lo edge of simulation box
    constant = number like 0.0 or -30.0 (distance units)
    variable = "equal-style variable"_variable.html like v_x or v_wiggle
    temp = wall temperature
    velx, vely, velz = wall velocity along x, y, z directions

  {xhi},{yhi},{zhi} pos = EDGE or constant or variable
    EDGE = current hi edge of simulation box
    constant = number like 50.0 or 100.3 (distance units)
    variable = "equal-style variable"_variable.html like v_x or v_wiggle 
    temp = wall temperature 
    velx, vely, velz = wall velocity along x, y, z directions:pre

zero or more keyword/value pairs may be appended :l
keyword = {units} :l {units} value = {lattice} or {box}
         {lattice} = the wall position is defined in lattice units
          {box} = the wall position is defined in simulation box units :pre :ule

[Examples:]

fix ywalls all wall/diffusive xlo EDGE 300 0.1 0.1 0 xhi EDGE 200 0.1 0.1 0

fix ywalls all wall/diffusive xlo 300 0.1 0.1 0 ylo 300 0.1 0.1 0 units box:pre

[Description:]

In the wall/diffusive model, the atoms are fully thermalized by the wall and
reflected diffusively. The post collision velocity distribution is a equilibrium
distribution at the wall. The use of this stochastic model ressembles to
wall/reflect but with four additional parameters the wall temperature and the
wall velocity along 3 directions x, y, z.

The {units} keyword determines the distance units used to define a wall position

A {box} value selects standard distance units as defined by the
"units"_units.html command, e.g. Angstroms for units = real or metal. 

A {lattice} value means the distance units are in lattice spacings. The
"lattice"_lattice.html command must have been previously used to define the
lattice spacings.

[Restrictions:]

As extension of wall/reflect, this fix has has the same limitation as the the
wall/reflect. Any dimension (xyz) that has a wall must be non-periodic. It
shoudld not be used with rigid bodies such as those defined by a "fix rigid"
command. 

[Related commands:]

"fix wall/reflect"_fix_wall_reflect.html, "fix
"wall/maxwell"_fix_wall_maxwell.html, "fix wall/cl"_fix_wall_cl.html
 
[Default:] none

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