Difference between revisions of "Adapt emax"
(Created page with "<code>adapt_emax</code> sets the maximum value of energy transfer by an atom in a time-step. When a highly energetic atom comes too close to another atom that it experiences t...") |
|||
| Line 4: | Line 4: | ||
{| class="wikitable" | {| class="wikitable" | ||
| − | |+ Summary for <code> | + | |+ Summary for <code>adapt_emax</code> keyword |
! style="text-align:left;"| Required/optional | ! style="text-align:left;"| Required/optional | ||
! style="text-align:left;"| Type | ! style="text-align:left;"| Type | ||
Latest revision as of 09:48, 27 September 2023
adapt_emax sets the maximum value of energy transfer by an atom in a time-step. When a highly energetic atom comes too close to another atom that it experiences the repulsive core potential which has a steep slope, then there can be a large change in the potential energy by a small displacement. Here, time-step should be small enough to restrict large change in the energy and restriction provided through this input keyword will ensure that. Since with energetic atoms the displacement and energy transfer per time-step can be too large to limit the observation of actual trajectories of the atoms and thus loose details of the atomic collision process that actually undergoes, reasonable values for this parameter must be set. A typical value can be in the range of 10-30 eV.
Summary
| Required/optional | Type | Accepted values | Default | See also | Remarks |
|---|---|---|---|---|---|
| Required | Float | Max. allowed energy transfer per time-step in eV | 10.0
|
adaptive_time, adapt_tstep_interval, adapt_tmin, adapt_tmax, adapt_xmax
|
A reasonable value greater than 0 must be provided. |
