CAREER: Integrated Teaching and Research Activities on Computational Thermodynamics and Systems Materials Design of Magnesium Alloys

9983532 Liu该CAREER资助的目标是通过对金属合金中工艺/结构/性能关系的基本理解，为镁合金设计创建一种全新的方法。这项工作开发（a）一种新的系统材料设计方法的基础上相结合的计算热力学计算，相变模拟，和实验原型评估，（B）一种有效的方法，多组分热力学建模集成热力学预测和严格设计的实验，和（c）相界面的热力学模型。 计算热力学是该计划的重要组成部分，对于理解微观结构发展的基本机制，形态和动力学至关重要。CAREER教学计划侧重于计算热力学和系统材料设计，涉及本科生和研究生。计划中的努力将通过应用基本原理与最先进的计算机软件相结合来有效地开发技术问题的解决方案，从而改善材料科学与工程的核心课程。它将使学生通过相图计算和相变模拟可视化热力学中的抽象概念，通过计算机实验加强他们的计算能力，并通过团队项目和演示提高他们的沟通能力。 拟议的计划将有助于开发用于汽车和航空航天应用以及储氢的镁合金。 该计划是及时的，因为越来越多的工业兴趣在镁合金，这是特别可取的，在美国，镁合金的研究活动是有限的，与欧洲相比。 新型结构材料技术是美国制造业全球竞争力的决定性因素。 作为最轻的结构材料之一，镁合金在显著减轻运输车辆重量和提高燃油效率方面具有很大的潜力。

9983532LiuThe objective of this CAREER grant is to create a completely new methodology for magnesium alloy design through a fundamental understanding of process/structure/property relationships in metal alloys. This work develops (a) a novel system materials design approach based on a combination of computational thermodynamics calculation, phase transformation simulation, and experimental prototype evaluation, (b) an efficient methodology of multi-component thermodynamic modeling by integrating thermodynamic predictions and critically designed experiments, and (c) thermodynamic models of phase interfaces. Computational thermodynamics is the important part of the program and is essential for understanding the fundamental mechanisms, morphology, and kinetics of microstructure development. The CAREER teaching program focuses on computational thermodynamics and system materials design, involving both undergraduate and graduate students. The planned effort will improve the core curriculum in materials science and engineering by applying fundamental principles in conjunction with state-of-the-art computer software to efficiently develop solutions to technological problems. It will enable students to visualize the abstract concepts in thermodynamics through phase diagram calculations and phase transformation simulations, strengthen their computational skills through computer experiments, and improve their communication skills through team projects and presentations. %%%The proposed program will aid the development of magnesium alloys for automotive and aerospace applications and for hydrogen storage. The program is timely due to increasing industrial interest in magnesium alloys, and it is especially desirable in the U.S. as research activities on magnesium alloys are limited in comparison with Europe. New structural materials technologies are a determining factor in the global competitiveness of U.S. manufacturing industries. As one of the lightest structural materials, magnesium alloys have high potential for considerably reducing the weight of transportation vehicles and improving fuel efficiency.***