Modelling Adhesion and Adhesive Metal Transfer to Improve Aluminum Processing

9619353亚当斯这个奖项是一个GOALI（与工业界学术联络的赠款机会）赠款，这是由材料研究司和理事会数学和物理科学的多学科活动办公室共同资助。 它涉及亚利桑那州立大学和ALCOA之间的合作研究。 赠款有两个目标。 一个目标是使用密度泛函理论方法来确定铝合金和选定的工具涂层材料之间的粘附能。 将分析每个系统的电子结构，以确定控制粘附力的关键因素。 这项研究将产生第一个可靠的数据库的金属涂层附着力的能量，包括最常见的合金元素（铜，镁，硅，锰，锌）的影响。 该数据库将作为一个宝贵的设计工具，几乎所有的铝制造过程，涉及通过工具/工件接口的负载传输。 研究的第二个目标是在原子尺度上模拟粘附金属转移。 这将涉及一些小规模的量子分子动力学模拟，和一些大规模的经验分子动力学模拟。 模拟将集中在体积成形过程中的小规模塑性变形。 最后，根据这项工作的结果，选定的涂层材料将进行测试的ALCOA粘附磨损研究小组使用粘附平衡在真空中。 总之，这些研究将有助于选择涂层材料的铝成型工艺，如轧制，挤压，锻造和连续铸造。 该奖项是由材料研究部和数学和物理科学局多学科活动办公室共同资助的GOALI（与工业界学术联络的赠款机会）赠款。 它涉及亚利桑那州立大学和ALCOA之间的合作研究。 赠款有两个目标。 首先，计算铝合金与铝加工中用于涂层的各种材料之间的粘合强度。 这些结果将有助于铝加工工艺的设计。 其次，在原子水平上模拟粘附金属转移。 重点将放在金属成形过程中的塑性变形。 计算和模拟的结果将在ALCOA实验室进行测试。 ***

9619353 Adams This award is a GOALI (Grant Opportunities for Academic Liaison with Industry) grant which is co-funded by the Division of Materials Research and Directorate for Mathematical and Physical Sciences' Office of Multidisciplinary Activities. It involves collaborative research between Arizona State University and ALCOA. The grant has two objectives. One objective is to use density functional theory methods to determine adhesive energies between aluminum alloys and selected tool coating materials. The electronic structure of each system will be analyzed to determine the critical factors that control adhesion. This study will yield the first reliable database on metal-coating adhesion energies, including the effect of the most common alloying elements (Cu, Mg, Si, Mn, Zn). This database will serve as an invaluable design tool for almost all aluminum manufacturing processes that involve load transmission through tooling/workpiece interface. The second objective of the research is to simulate adhesive metal transfer at the atomic scale. This will involve some small-scale quantum molecular dynamics simulations, and some larger-scale empirical molecular dynamics simulations. Simulations will focus on small scale plastic deformation during bulk forming processes. Finally, based on results of this work, selected coating materials will be tested by the ALCOA adhesive wear research group using an adhesion balance in ultrahigh vacuum. Altogether, these studies will aid in the selection of coating materials for aluminum forming processes such as rolling, extrusion, forging and continuous casting. %%% This award is a GOALI (Grant Opportunities for Academic Liaison with Industry) grant which is co-funded by the Division of Materials Research and Directorate for Mathematical and Physical Sciences' Office of Multidisciplinary Activities. It involves collaborative research between Arizona State University and ALCOA. The grant has two objectives. Firs t, calculations will be made of the strength of adhesion between aluminum alloys and various materials which are used for coatings in aluminum processing. These results will be helpful in designing aluminum manufacturing processes. Second, simulations of adhesive metal transfer at the atomic level will be done. The focus will be on plastic deformation during metal forming. The results of the calculations and simulations will be tested in ALCOA laboratories. ***