Hierarchical Screening Pipelines for Discovery of Structural Materials used in Energy Infrastructure

Refractory metals are crucial structural components in energy industries such as nuclear, solar etc. Target properties for such applications are easy manfacturbility at room temperature and structural-chemical stability in reactive environments at high operational temperatures. Here, a multilevel hierarchical workflow is proposed to enable the development of alloys with the following properties:

• High ductility at room temperature for easy manufacturability
• Corrosion resistance by surface passivation at high temperature (over 800 C)

The data pipiline devised here is shown in the image.