Computational and Experimental Investigations of Magnesium Alloys

技术支持：本项目旨在通过模型化和有效的实验研究相结合，更全面地了解稀土元素对镁合金相稳定性和显微组织的影响。 该项目将：（a）通过第一性原理计算预测二元和三元化合物以及溶液相的热化学数据;（B）通过组合扩散多重实验创建重要三元体系的成分库;（c）通过创新建模方法开发镁合金的热力学描述;以及（d）通过工业合作建立性能与相应关键微观结构成分之间的机理模型。该提案的智力价值在于对技术上重要的多组分镁合金的综合方法。该研究项目将通过建立一个基础来回答可以通过结合计算和实验方法最有效地解决的基本问题，从而将美国的镁研究推向更高的水平。例如：考虑到成本与性能，合金元素的最佳组合是什么？对于镁合金的稳健加工，可能的成分和温度变化是什么？增强镁合金晶粒细化的机制是什么？ 非技术性：该基金支持可能影响汽车和航空航天工业的镁合金研究。该研究将对材料开发产生重大影响，提高材料性能的可预测性，减少能源和原材料的消耗，缩短材料开发周期。该计划及时响应了行业对镁合金进行更多基础研究的呼吁。这在美国尤其受欢迎，因为与其他国家的研究活动相比，镁合金的研究活动显得有限。研究的更广泛的影响包括培养研究生和本科生成为未来的专业人士，掌握创新的计算和有效的实验方法，并参加专业协会的会议和活动，以提高他们的沟通技巧。

TECHNICAL: This project aims at a more comprehensive understanding of the effects of rare earth elements on phase stability and microstructure of magnesium alloys by integrating modeling with efficient experimental investigation. This project will: (a) predict thermochemical data of binary and ternary compounds and solution phases through first-principles calculations; (b) create composition libraries of important ternary systems through combinatorial diffusion multiple experiments; (c) develop thermodynamic descriptions of magnesium alloys through innovative modeling approaches; and (d) establish mechanistic models between properties and the corresponding critical microstructural components through industrial collaborations. The intellectual merit of the proposal lies on the integrated approach to technologically important multicomponent magnesium alloys. The research project will move magnesium research in the U.S. to a higher level by building a foundation to answer fundamental questions that can be addressed most efficiently via combined computational and experimental methodology. For example: What are the best combinations of alloying elements considering cost versus performance? What are the possible composition and temperature variations for robust processing of magnesium alloys? What are the mechanisms for enhanced grain refinement in magnesium alloys? NONTECHNICAL: This grant supports research on magnesium alloys that could impact the automotive and aerospace industry. The research will have a major impact on materials development with improved predictability of materials properties, reduced consumption of energy and raw materials, and a shorter materials development lead-time. The program is timely in response to an industry call for more fundamental research on magnesium alloys. It is especially desirable in the U.S., as research activities on magnesium alloys appear limited in comparison with activity in other countries. The broader impacts of the research include the training of graduate and undergraduate students to be future professionals mastering both innovative computational and efficient experimental approaches and participating in meetings and activities of professional societies to improve their communication skills.