CAJ | 학술논문

采用分子动力学模拟软件基于Lennard－Jones－9－6势函数研究了狭小间距Cu／Al纳米薄膜间的相互作用。我们通过计算薄膜表面单位面积上的范德华相互作用能，综合讨论了非接触Cu／Al薄膜间的相互作用。结果表明，当两薄膜的间距从12?减小到3?时，相互作用能呈现两个阶段：起初几乎不变，然后迅速增大。临界间距在7?附近。在两薄膜相互靠近的过程中，相互作用能受体系尺寸、空位缺陷尺寸、表面涂层及薄膜间距的影响较大，然而几乎不受空位缺陷形状的影响。
채용분자동역학모의연건기우Lennard－Jones－9－6세함수연구료협소간거Cu／Al납미박막간적상호작용。아문통과계산박막표면단위면적상적범덕화상호작용능，종합토론료비접촉Cu／Al박막간적상호작용。결과표명，당량박막적간거종12?감소도3?시，상호작용능정현량개계단：기초궤호불변，연후신속증대。림계간거재7?부근。재량박막상호고근적과정중，상호작용능수체계척촌、공위결함척촌、표면도층급박막간거적영향교대，연이궤호불수공위결함형상적영향。
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 ?to 3 ?.The critical gap is found to be around 7 ?.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 .