表面能的重新定义,微观起因及温度依赖性.pdfVIP

表面能的重新定义，微观起因, 及温度依赖性 Atomistic origin and temperature dependence of surface energetics: an extended broken bond rule Ming Zhao, Weitao Zheng Key Laboratory of Automobile Materials (Jilin University), Ministry of Education, and Department of Materials Science and Engineering, Jilin University, Changchun 130025, China Mingxia Gu, Chang Q. Sun♣ School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798, Singapore Two complementary terms are suggested essential for surface energetics and its responsibility for surface processes. One is the energy density gain per unit volume in surface skin and the other is the cohesive energy remain per discrete atom upon surface formation. The former governs surface mechanics and derivatives yet the latter dominates chemical reactivity and thermal and structural stability of the surface. The shortened and strengthened bonds between the under-coordinated atoms dictate these identities that depend nonlinearly upon the temperature of testing at low temperature regime. Reproduction of measurements has led to information about single bond energy and volume energy density in the bulk. Keywords: surface energy; surface stress; bond contraction ♣ E-mail: ecqsun@.sg 1 Surface energetics play the key and central role in surface and nanosolid sciences because surface energetics links the microscopic bonding configuration at an interfacial region with its macroscopic properties, such as strength, elasticity, wettability, reactivity, diffusivity, stability, etc.1,2, 3,4,5,6 During the last decades, increasing efforts have been focused on processes that are