Electronic Design of Alloys for Structural Reactice Materials

Alloy-by-design and electronic design of alloys calculations will be used to identify the alloy combinations (based on a limited list of candidate transition metal elements) that will deliver the required structural mechanical characteristics for reactive structures, as well as a specific level of energetic characteristics that can allow the dual use of the material as a reactive material structure in a shock or impact-induced reaction scenario. The proposed approach is high throughput and ideal for multi-component alloy design to meet certain characteristics (structural, density, and reactivity). The thermodynamic compatibility of different alloy formulations will be used to assess the likely mechanical properties that can be obtained. Samples of the identified systems will be fabricated using additive manufacturing and powder processing technologies to assess the feasibility of scaling up the identified systems.