Computational and Experimental Investigations of Magnesium Alloys

镁合金的计算和实验研究

• 批准号: 1006557
• 负责人: Zi-Kui Liu
• 金额: $ 50万
• 依托单位: Pennsylvania State Univ University Park
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-09-01 至 2017-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1006557&HistoricalAwards=false
• 关键词: Computational; Experimental; Investigations; Magnesium; Alloys

TECHNICAL SUMMARY: This project aims to develop a comprehensive understanding of the effects of alloying elements on the properties of magnesium alloys by integrating first-principles calculations, computational modeling and experimental investigations for the purpose of providing quantitative guidance for designing high performance magnesium alloys. The objectives of the proposed research are severalfold: (a) to predict elastic properties and diffusion behavior of binary and ternary compounds and solution phases through first-principles calculations; (b) to create libraries of diffusion data and elastic properties of important ternary systems through the use of diffusion couples and experiments on individual alloys using advanced analytical tools; (c) to develop models for the properties of magnesium alloys through innovative modeling approaches; (d) to establish mechanistic models that relate elastic properties and diffusivities to the performance of these materials by collaborating with research organizations and companies.NON-TECHNICAL SUMMARY: Magnesium is the lightest structural metallic material. This makes magnesium alloys particularly attractive for transportation applications such as automobiles and helicopters for weight reduction and higher fuel efficiency. It is anticipated that the proposed research will contribute to shortening the time to develop new materials and improve existing materials. The participation of underrepresented groups will be encouraged through the SEEMS program (Summer Experience in Earth and Mineral Science) at Penn State for high school students and the recruitment of female students from the Penn State WISER program (Women in Science and Engineering Research). The proposed activity will also educate graduate and undergraduate students in computational and experimental work, encourage students to participate and present their work at meetings of professional societies and foster their writing skills through the preparation of publications for peer-reviewed journals.

技术概要：本项目旨在通过整合第一性原理计算、计算建模和实验研究，全面了解合金元素对镁合金性能的影响，为设计高性能镁合金提供定量指导。拟议研究的目标有几个方面：（a）通过第一性原理计算预测二元和三元化合物和溶液相的弹性性质和扩散行为;（B）通过使用扩散偶和使用先进分析工具对个别合金进行实验，建立重要三元体系的扩散数据和弹性性质库;（c）通过创新的建模方法开发镁合金性能的模型;（d）通过与研究组织和公司合作，建立将弹性性能和扩散率与这些材料的性能相关联的机械模型。非技术性总结：镁是最轻的结构金属材料。 这使得镁合金对于诸如汽车和直升机的运输应用特别有吸引力，以减轻重量和提高燃料效率。预计拟议的研究将有助于缩短开发新材料和改进现有材料的时间。将通过宾夕法尼亚州立大学为高中生开设的SEEMS方案（地球和矿物科学暑期体验）和从宾夕法尼亚州立大学WISER方案（妇女参与科学和工程研究）中招募女学生，鼓励代表性不足的群体参与。拟议的活动还将在计算和实验工作方面对研究生和本科生进行教育，鼓励学生参加专业协会的会议并在会上介绍他们的工作，并通过为同行评审的期刊编写出版物来培养他们的写作技能。