An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of Pa...An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of PandatTM software for multicomponent phase diagram calculation, the new tool is designed in an inte- grated workspace and is targeted to understand the com- position-processing-structure-property relationships of multicomponent systems. In particular, the phase diagram calculation module is used to understand the phase stability under the given conditions. The calculated phase equilib- rium information, such as phase composition and chemical driving force, provides input for the kinetic simulation. In this paper, the design of the modeling tool will be pre- sented and the calculation examples from the different modules will also be demonstrated.展开更多
文摘An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of PandatTM software for multicomponent phase diagram calculation, the new tool is designed in an inte- grated workspace and is targeted to understand the com- position-processing-structure-property relationships of multicomponent systems. In particular, the phase diagram calculation module is used to understand the phase stability under the given conditions. The calculated phase equilib- rium information, such as phase composition and chemical driving force, provides input for the kinetic simulation. In this paper, the design of the modeling tool will be pre- sented and the calculation examples from the different modules will also be demonstrated.
