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

达拉斯·R·特林克尔；材料科学与工程；伊利诺伊大学香槟分校路易斯·G·赫克托；通用汽车技术中心；密歇根沃伦密歇根大学伊利诺伊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改变金属镁的强度，以设计出广泛使用的新镁合金。计算机模型首先了解原子是如何相互结合的，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，使合金变得更强/更弱，或延性/脆性。通过模拟强度和延展性的变化，研究人员可以在计算机中设计和优化新的镁合金，而不是通过昂贵的反复试验方法。此外，对原子化学键的定量理解被嵌入到真实汽车部件的形状和行为的计算机模型中。镁合金的密度是铝的三分之二；用镁取代汽车中的许多钢和铝车身部件可以显著减轻车辆的重量，从而减少近30%的燃料消耗和温室气体排放。计算机建模将使新合金的设计变得更快，并使镁合金进入广泛的交通运输用途。伊利诺伊州的学生将第一手学习学术研究与工业发展的联系，以及造福社会的材料科学。此外，特林克尔教授和赫克托博士将与伊利诺伊州和底特律的高中科学教师合作，就如何使用材料科学抗击全球变暖进行课堂演讲和演示。

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.