Integrated Computational Materials Engineering of Next Generation Aluminum and Magnesium Alloys

拟议的研究计划将引领全球集成计算材料工程(ICME)领域用材料性能、制造工艺和对这些工艺的响应的数字模拟来取代漫长、昂贵、试错驱动的研发。这一演变是加速将更坚固、更安全、更轻的材料插入运输部门的关键，运输部门为加拿大经济贡献了4.7%的GDP或940亿加元。目前的研究计划的不同之处在于对化学依赖模型、空间分辨微结构(晶级，即10微米级和部件级，即毫米级)的关注，以及基础研究和工业应用知识之间的密切联系。上面提到的化学依赖、微观结构的空间变化和历史依赖的挑战决定了需要一种整体的数字构建块方法来将不同的制造过程联系在一起。这项工作的目标是生产直通工艺(ICME)模型，以加速将下一代高强度和韧性铝和镁合金插入到运输部门的应用中。所提出的方法需要结合最先进的建模和仿真工具以及先进的表征工具，包括组合研究和高效的实验方法。从本质上讲，直通流程方法明确考虑了流程之间的联系。从一开始，子模型的开发就知道它们必须联系在一起；这是一个具有挑战性的过程，需要仔细规划哪些变量将是每个模型的输入和输出，以及这些变量将如何从一个模型传递到另一个模型。这项研究计划将重点放在：i)汽车工业用高强度、高韧性铝合金-下一代铝合金(Al-Mg-Zn-Cu-Zr)的目标是强度超过400兆帕和真正的断裂应变&0.5，这样它们就可以成形，以制造具有更好的碰撞应用能量吸收能力的复杂零件，以及ii)新型镁合金薄板合金，可以在室温下成形复杂的汽车零件，同时将材料成本从目前的每公斤15美元降低到不到5美元/公斤。事实证明，这些材料的插入有可能将汽车重量减轻50%以上，结果包括提高替代燃料汽车的生存能力，减少化石燃料的使用，减少温室气体排放，所有这些都对更可持续的地球做出了可衡量的贡献。此外，40%的加拿大制造商已经报告立即出现技能/劳动力短缺，60%的制造商预计未来五年将出现短缺。因此，对下一代材料工程师的教育、培训和指导将是这一研究计划的关键成果。

The proposed research program will lead the global Integrated Computational Materials Engineering (ICME) field to replace lengthy, costly, trial-and-error-driven R&D with digital simulation-of materials properties, manufacturing processes, and responses to those processes. This evolution is key to accelerating the insertion of stronger, safer, lighter-weight materials into the transportation sector, which contributes 4.7% of GDP or $94b CAD to the Canadian economy. What sets the current research program apart is the focus on chemistry-dependent models, spatial resolved microstructure (both at the grain level, i.e. 10 of µm's and the part scale, i.e. mm's), and the close linkage between the foundational research and industrial application of the knowledge. The challenges of chemistry dependence, spatial variation of microstructure, and history dependence noted above dictate that a holistic digital building-block approach is needed to link the different manufacturing processes together. The objective of this work is to produce through process (ICME) models to accelerate the insertion of the next generation of high strength and toughness aluminum and magnesium alloys into applications in the transportation sector. The proposed methodology requires a combination of state-of-the-art modeling and simulation tools and advanced characterization tools, including combinatorial studies and high-efficiency experimental approaches. At its heart, the through process approach explicitly considers the linkages between processes. From the beginning, sub-models are developed with the knowledge that they must be linked together; a challenging process requiring careful planning of which variables will be inputs and outputs for each model and how those variables will be passed from one model to the next. This research program will focus on: i) high strength, high toughness aluminum alloys for the automotive industry - the aim for the next generation of aluminum alloys (Al-Mg-Zn-Cu-Zr) is strength above 400 MPa and true fracture strain >0.5 such that they can be formed to make complex parts with improved energy absorption capability for crash applications and ii) novel magnesium sheet alloys that can be formed into complex automotive parts at room temperature while reducing material cost from the current $15 per kg to less than $5 per kg. The insertion of these materials has been demonstrated to have the potential to reduce automobile weight more than 50% with outcomes which include the increased viability of alternative-fuel vehicles, reduced fossil fuel use, and reduced greenhouse gas production, all measurable contributions to a more sustainable planet. Further, 40% of Canadian manufacturers are already reporting immediate skills/labour shortages and 60% of manufacturers anticipate shortages in the next five years. As such, the education, training, and mentoring of the next generation of materials engineers will be a critical outcome for this research program.