Computational Design of Complex Microstructures for Advanced Engineering Alloys

先进工程合金复杂微观结构的计算设计

• 批准号: RGPIN-2020-05431
• 负责人: Militzer, Matthias
• 金额: $ 2.4万
• 依托单位: University of British Columbia
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2022
• 资助国家: 加拿大
• 起止时间: 2022-01-01 至 2023-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=758191
• 关键词: Computational; Design; Complex; Microstructures; Advanced

High performance steels and advanced titanium alloys are essential materials for lightweighting in the transportation, energy and construction sectors. For example, 10% weight reduction in vehicles and aircrafts, respectively, decreases greenhouse gas emission by 6-8% and is also critical to enable alternative fuel vehicles. Thus, any improvement in processing and in-service performance of advanced steels and titanium alloys contributes significantly to engineering solutions with reduced environmental impact. In both materials, phase transformations occur in the solid state, i.e. transitions between different crystal structures as the temperature is increased or decreased during processing. Design of microstructures through these phase transformations is a key metallurgical tool to tailor the mechanical properties for specific applications. Phase field modelling is a powerful tool to describe and visualize the evolution of microstructures with complex morphologies as frequently found in steels and titanium alloys. In addition, phase field modelling is also an appropriate method to simulate the fracture behaviour in a wide range of materials. A physically consistent phase field approach has yet to be developed to predict for steels and titanium alloys representative multi-phase microstructures with complex morphologies and the resulting fracture behaviour. Depending on the processing path polygonal, plate-like and irregularly shaped transformations products may form thereby offering an enormous potential to optimize properties. The objectives of the proposed program are to develop a through-process phase field model for phase transformations in steels and titanium alloys with a multiplicity of transformation products and to predict the fracture behaviour of the resulting microstructures. Further, the role of potentially non-homogeneous distributions of alloying elements will be explored with phase field simulations to design microstructures using the concept of chemical patterning as a new avenue to improve material properties, e.g. fracture toughness. The program will offer training for two PhD students and five undergraduate summer students who will acquire a highly sought state-of-the-art skill set in computational engineering. The novelty and significance of the proposed research will be the advancement of the phase field method to a microstructure design tool for complex-phase steels and titanium alloys. A particularly exciting aspect of the proposed program is that microstructure simulations will be coupled with the prediction of the resulting fracture behavior in the phase field simulation framework, which will constitute an important novelty in the field. The proposed modelling method is expected to provide an attractive computational tool for next generation industrial process models by guiding microstructure design to optimize processing and properties of advanced metallic alloys as an important aspect of digital manufacturing.

高性能钢和高级钛合金是运输，能源和建筑领域轻量级的重要材料。例如，车辆和飞机的重量分别减轻了10％的重量，使温室气体排放量减少了6-8％，对于启用替代燃料车也至关重要。因此，高级钢和钛合金的加工和在职性能的任何改进都对降低环境影响的工程解决方案做出了重大贡献。在两种材料中，相变发生在固态中，即随着温度在加工过程中的升高或降低，不同晶体结构之间的过渡。通过这些相变的微观结构设计是定制特定应用机械性能的关键冶金工具。 相位场建模是一种强大的工具，可以描述和可视化具有复杂形态的微观结构的演化，就像在钢和钛合金中经常发现的那样。此外，相位场建模也是模拟各种材料中断裂行为的合适方法。在物理上一致的相位方法尚未开发用于预测具有复杂形态和所得断裂行为的钢和钛合金代表性的多相微观结构。根据加工路径多边形，板状和不规则形状的转换产品，产物可能会形成巨大的潜力来优化性能。 所提出的程序的目标是为具有多种转换产物的钢和钛合金中的相转换开发一个整个过程的相位场模型，并预测所得微结构的断裂行为。此外，将使用相位场模拟探索合金元素的潜在非均匀分布的作用，以使用化学图案的概念作为改善材料特性的新途径来设计微观结构，例如断裂韧性。 该计划将为两名博士生和五名本科夏季学生提供培训，他们将获得一项备受追捧的计算工程技能。拟议的研究的新颖性和意义将是相位场方法向复杂相钢和钛合金的微观结构设计工具的进步。提出的程序的一个特别令人兴奋的方面是，微结构模拟将与相位场仿真框架中所得断裂行为的预测相结合，这将构成现场的重要新颖性。提出的建模方法有望通过指导微观结构设计来优化高级金属合金的处理和属性，以作为数字制造的重要方面来优化高级金属合金的处理和属性，从而为下一代工业流程模型提供有吸引力的计算工具。