tightbinder.disorder.alloy#

alloy(system, *concentrations)[source]#

Routine to alloy a material with two or more chemical species. In practice this means that each atom is reasigned to a random chemical species, while keeping its position. For two chemical species, is is only necessary to specify the concentration x of the first one, Ax B1-x. For n species, one has to specify n-1, so that Ax1 Bx2 Cx3 … Mxn-1.

Parameters:
  • system (System) – System to modify.

  • concentrations (float) – Array of length n - 1, where n is the number of species. Each number must be between 0 and 1, and such that the sum is <= 1.

Return type:

System

Returns:

Modified system.