118 kinds of Pt-Zr phases were established and investigated by considering various structures. Then the related physical properties, such as structural stability, lattice constants, formation enthalpies, elastic constants and bulk moduli, are obtained by ab initio calculations. Based on the calculated results of formation enthalpies, the ground-state convex hull is derived for the Pt-Zr system. The calculated physical data would provide a basis for further thermodynamic calculations and atomistic simulations. For these Pt-Zr compounds, it is found there are a positive linear correlation between the formation enthalpies and atomic volumes, and a negative linear correlation between the bulk modules and atomic volumes.
美国材料研究学会(Materials Research Society,简称MRS)1995年秋季会议于1995年11月27日至12月1日在美国东部文化名城波士顿市举行。这是当今世界规模最大、水平最高的材料科学会议。近几年,每次会议都超过4000人。离子束材料改性一直是MRS秋季会议中一个重要的分会。美国垒地亚国家实验室的Dr.S.T.Picraux作了关于半导体器件生产过程中的离子束技术的评述报告。
