有色金属材料与工程2025，Vol.46Issue(3)：70-77,8.DOI:10.13258/j.cnki.nmme.20241016001
锡基巴氏合金SnSb8Cu4组成相的结构和性能的第一性原理计算
Structures and properties of constituent phases in the tin-based Babbitt alloy SnSb8Cu4 using first-principles calculations
摘要
Abstract
The soft matrix and hard phases in the microstructure of tin-based Babbitt alloy have a decisive influence on its macroscopic properties,and the research and development of high-performance alloys requires an understanding of the structure and performance characteristics of each constituent phase.The structural stability,forming energy,binding energy,elastic properties and electronic characteristics of β-Sn and Cu6Sn5 in tin-based Babbitt alloy SnSb8Cu4 were investigated by using first-principles calculations based on density functional theory.The results show that the forming energies of β-Sn and Cu6Sn5 are 0.005 3 eV and-0.068 1 eV,respectively,and their binding energies are-3.843 9 eV and-3.848 1 eV respectively,indicating that both are thermodynamically stable.The elastic modulus and Vickers hardness of Cu6Sn5 are both higher than those of β-Sn,indicating that Cu6Sn5 has a greater influence on the strength and stiffness of the tin-based Babbitt alloy.However,β-Sn demonstrates better plasticity and elastic anisotropy.The Fermi energy levels of β-Sn and Cu6Sn5 are 1.01 eV and 1.18 eV,respectively,indicating that both have good structural stability.关键词
锡基巴氏合金/第一性原理/结构稳定性/弹性性能/电子性质Key words
tin-based Babbitt alloy/first-principles/structural stability/elastic property/electronic property分类
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韦洪超,董琴,高佳丽..锡基巴氏合金SnSb8Cu4组成相的结构和性能的第一性原理计算[J].有色金属材料与工程,2025,46(3):70-77,8.基金项目
国家自然科学基金资助项目(52305208) （52305208）
浙江省科技研发项目(2024C01217) （2024C01217）
