Components¶

Before defining the alloying elements or components for the simulation, the composition unit which will be used in the later input and output have to be defined. Possible options are atom_percent and weight_percent. For the output of concentration fields this setting can be changed later (see section Output). Please note that, even though using weight-percent as concentration unit is very common, visualisation of simulation results in this unit might lead to some confusion, because a gradients of any element in atom_percent is "mirrored" to all other elements. This e.g. means that elements with no diffusion and initially flat concentration profile will nevertheless show "ghost" concentration gradients in weight_percent if any other element is diffusing or changing its content!

Components are defined as a list of names. The list must end with the keyword end_of_components. In case of using a database, these names are regarded as element names which will be looked up in the database. Alternatively, and for backwards compatibility, it is also possible to give database indices of the components instead.

Caution: All components stored in the GES5 file have to be defined here.

Example 1¶

Defining an aluminum / copper system

...
# Components
# ==========
# Type of concentration?
# Options:     atom_percent    (at%)
#              weight_percent  (wt%)
atom_percent
#
# The database contains the following components:
# 1: AL
# 2: CU
#
# A component can be specified by an element symbol,
# user defined name or database index.
# 'end_of_components' will finish the components input.
# Component 0 (main component) ?
al
# AL identified
# Component 1 ?
cu
# CU identified
# Component 2 ?
end_of_components
#
# MICRESS component indexing
# 0 -> AL (database)
# 1 -> CU (database)
...