\(\renewcommand{\AA}{\text{Å}}\)

fix append/atoms command

Syntax

fix ID group-ID append/atoms face ... keyword value ...

ID, group-ID are documented in fix command
append/atoms = style name of this fix command
face = zhi
zero or more keyword/value pairs may be appended

keyword = basis or size or freq or temp or random or units

basis values = M itype
  M = which basis atom
  itype = atom type (1-N) to assign to this basis atom
size args = Lz
  Lz = z size of lattice region appended in a single event(distance units)
freq args = freq
  freq = the number of timesteps between append events
temp args = target damp seed extent
  target = target temperature for the region between zhi-extent and zhi (temperature units)
  damp = damping parameter (time units)
  seed = random number seed for langevin kicks
  extent = extent of thermostatted region (distance units)
random args = xmax ymax zmax seed
  xmax, ymax, zmax = maximum displacement in particular direction (distance units)
  seed = random number seed for random displacement
units value = lattice or box
  lattice = the wall position is defined in lattice units
  box = the wall position is defined in simulation box units

Examples

fix 1 all append/atoms zhi size 5.0 freq 295 units lattice
fix 4 all append/atoms zhi size 15.0 freq 5 units box
fix A all append/atoms zhi size 1.0 freq 1000 units lattice

Description

This fix creates atoms on a lattice, appended on the zhi edge of the system box. This can be useful when a shock or wave is propagating from zlo. This allows the system to grow with time to accommodate an expanding wave. A simulation box must already exist, which is typically created via the create_box command. Before using this command, a lattice must also be defined using the lattice command.

This fix will automatically freeze atoms on the zhi edge of the system, so that overlaps are avoided when new atoms are appended.

The basis keyword specifies an atom type that will be assigned to specific basis atoms as they are created. See the lattice command for specifics on how basis atoms are defined for the unit cell of the lattice. By default, all created atoms are assigned type = 1 unless this keyword specifies differently.

The size keyword defines the size in \(z\) of the chunk of material to be added.

The random keyword will give the atoms random displacements around their lattice points to simulate some initial temperature.

The temp keyword will cause a region to be thermostatted with a Langevin thermostat on the zhi boundary. The size of the region is measured from zhi and is set with the extent argument.

The units keyword determines the meaning of the distance units used to define a wall position, but only when a numeric constant is used. A box value selects standard distance units as defined by the units command (e.g., \(\AA\) for units = real or metal. A lattice value means the distance units are in lattice spacings. The lattice command must have been previously used to define the lattice spacings.

Restart, fix_modify, output, run start/stop, minimize info

No information about this fix is written to binary restart files. None of the fix_modify options are relevant to this fix. No global or per-atom quantities are stored by this fix for access by various output commands. No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy minimization.

Restrictions

This fix style is part of the SHOCK package. It is only enabled if LAMMPS was built with that package. See the Build package page for more info.

The boundary on which atoms are added with append/atoms must be shrink/minimum. The opposite boundary may be any boundary type other than periodic.

Default

The keyword defaults are size = 0.0, freq = 0, units = lattice. All added atoms are of type 1 unless the basis keyword is used.