GOALI: Modeling Solute Effects in Magnesium Alloys: First-principles to Predictive Finite-Element

目标：模拟镁合金中的溶质效应：预测有限元的第一性原理材料科学与工程；伊利诺伊大学厄巴纳-香槟分校Louis G. Hector, Jr；通用汽车技术中心；伊利诺斯大学和通用汽车公司将合作进行一项计算机建模研究，研究不同的化学添加剂如何？比如铝和锌以及更多的外来元素？改变金属镁的强度，设计出广泛使用的新型镁合金。计算机模型首先要了解原子如何相互结合，以模拟金属弯曲和成形时化学键的变化。不同的化学添加剂进一步改变了结合，从而使合金更强/更弱，或延展性/脆性。模拟强度和延展性的变化使研究人员能够在计算机上设计和优化新的镁合金，而不是通过昂贵的试错方法。此外，对原子化学键的定量理解被构建到计算机模型中，用于实际汽车零件的成形和行为。镁合金的密度是铝的三分之二；用镁代替汽车中的许多钢和铝车身部件可以显著减轻汽车的重量，从而减少近30%的燃料消耗，并大大减少温室气体的排放。计算机建模将使设计新合金的速度大大加快，并使镁合金在交通运输中得到广泛应用。伊利诺伊大学的学生将直接学习学术研究与工业发展的联系，以及有益于社会的材料科学。此外，Trinkle教授和Hector博士将与伊利诺斯州和底特律的高中科学教师合作，在课堂上介绍和演示如何利用材料科学来对抗全球变暖。

GOALI: Modeling Solute Effects in Magnesium Alloys: First-principles to Predictive Finite-ElementDallas R. Trinkle; Materials Science and Engineering; University of Illinois, Urbana-Champaign Louis G. Hector, Jr.; General Motors Technical Center; Warren, Michigan The University of Illinois and General Motors will collaborate on a computer modeling study of how different chemical additions?like aluminum and zinc as well as more exotic elements?change the strength of the metal magnesium to design new magnesium alloys for widespread use. The computer model starts with an understanding of how atoms bind to each other to model changes in chemical bonds as the metal is bent and shaped. Different chemical additions further change the bonding, which makes the alloy stronger/weaker, or ductile/brittle. Modeling changes in strength and ductility allows researchers to design and optimize new magnesium alloys in a computer, rather than through expensive trial-and-error approaches. In addition, the quantitative understanding of chemical bonding from atoms is built into computer models for the shaping and behavior of real automobile parts.Magnesium alloys have two-thirds the density of aluminum; replacing many of the steel and aluminum body pieces in an automobile with magnesium can significantly reduce the weight of a vehicle, which reduces fuel consumption by nearly 30% and a substantial reduction in emissions of greenhouse gases. The computer modeling will allow the design of new alloys much more rapidly, and allow magnesium alloys to enter widespread use for transportation. Students at Illinois will learn first-hand the connection of academic research to industrial development, and materials science that benefits society. Moreover, Prof. Trinkle and Dr. Hector will work with high school science teachers in Illinois and Detroit doing in-class presentations and demonstrations about the use of materials science to combat global warming.