Electronic Design of Alloys for Structural Reactice Materials

合金设计和合金计算的电子设计将用于确定合金组合（基于有限的候选过渡金属元素列表），这些合金组合将为反应结构提供所需的结构机械特性，以及特定水平的能量特性，这些特性可以允许材料在冲击或撞击诱导的反应场景中作为反应材料结构双重使用。所提出的方法具有高通量和理想的多组分合金设计，以满足某些特性（结构，密度和反应性）。不同合金配方的热力学相容性将用于评估可能获得的机械性能。已识别系统的样品将使用增材制造和粉末加工技术制造，以评估扩大已识别系统的可行性。

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.