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.
