High-Throughput calculation

The High-Throughput-Calculation (HTC) function has been implemented in Pandat™ for the PanPhaseDiagram, PanEvolution, and PanSolidification modules. It can perform thousands of calculations in a user defined compositional space by a simple setting. Alloy compositions that satisfy user defined criteria can then be identified through mining the thousands of simulated results. This function allows user to develop alloys with certain properties through design. There are two methods to define alloy compositions for HTC: one is to setup the composition range of each component and its steps through user-interface; the other one is to load the user-defined composition data file. These two methods will be explained in detail in this section. Note that, the current HTC function can carry out 0D-point calculation and solidification simulation using both the Scheil and Lever-rule models in the PanPhaseDiagram module. In the PanEvolution module, HTC can be carried out for all defined/imported alloys under one or multiple heat-treatment conditions. The HTC function is also available in the PanSolidification module for alloys under different cooling rates. The tutorial of the HTC function in different modules will be given in this section as well. Other types of HTC simulations will be continuously developed in the future.