计量学报2025，Vol.46Issue(6)：862-867,6.DOI:10.3969/j.issn.1000-1158.2025.06.11
低压下纳米薄液膜Hamaker常数的分子模拟计算
Molecular Simulation Study on Hamaker Constant Calculation of Nano-thin Liquid Film under Low Pressure
摘要
Abstract
At present,the Hamaker constant between molecules is commonly measured and studied using atomic force microscopy,while there are few reports on simulation methods for the Hamaker constant of evaporated nano-thin liquid films under low-pressure.Based on the molecular dynamics method,using the piston method to control pressure to maintain a low-pressure environment in the system,and Hamaker constant is calculated through solid-liquid interface interaction.The results indicate that under the set conditions,the thin liquid film can reach a stable evaporation state after 7 ns.Based on the interaction force of solid-liquid interface at 7～10 ns,the Hamaker constant of the 50 Å liquid film is calculated to be 1.55×10-21 J,with an error of only 1.65%.And the Hamaker constant decreases with increasing liquid film thickness.The method can also be applied to calculate other combinations of solid walls and liquids.关键词
热学计量/Hamaker常数/纳米薄膜/低压/分子动力学Key words
thermometrics/Hamaker constant/nanofilm/low pressure/molecular dynamics分类
通用工业技术引用本文复制引用
付海宇,周乐平..低压下纳米薄液膜Hamaker常数的分子模拟计算[J].计量学报,2025,46(6):862-867,6.基金项目
国家自然科学基金(52376053,51876058) （52376053,51876058）
