原子与分子物理学报Issue(2)：323-328,6.DOI:10.3969/j.issn.1000-0364.2015.02.026
狭小间距间 Cu／Al 薄膜相互作用的分子动力学模拟
Interaction between the closely spaced Cu/Al nanofilms based on molecular dynamics simulation
摘要
Abstract
The interactions between the closely spaced Cu/Al nanofilms have been investigated by the molecular dynamics ( MD) simulation based on Lennard-Jones-9-6 potential function .In this work, we performed a system-atic evaluation on the interaction between the noncontact Cu /Al nanofilms by calculating van der Waals interac-tion energyper unit area on the surface of thin films .The results reveal that the interaction energy shows two sta-ges:firstly keeps almost unchanged and then strengthens quickly when the distance between the two nanofilms de -creases from 12 Åto 3 Å.The critical gap is found to be around 7 Å.Among normally approaching two nano-films, the interaction energy is largely affected by system size , vacancy defects size , surface coatings and the dis-tance between films .However , it is little affected by vacancy defects shape .关键词
纳米薄膜/相互作用能/分子动力学/表面涂层/范德华力Key words
Nanofilms/Interaction energy/MD/Surface coating/Van der Waals forces分类
数理科学引用本文复制引用
彭亚亚,程广贵,丁建宁,凌智勇,张忠强..狭小间距间 Cu／Al 薄膜相互作用的分子动力学模拟[J].原子与分子物理学报,2015,(2):323-328,6.基金项目
国家自然科学基金 （）
