本文選題：混合自組裝膜 + 分子模擬��； 參考：《中國(guó)礦業(yè)大學(xué)》2015年碩士論文

【摘要】：隨著自組裝膜(SAMs)技術(shù)在MEMS器件潤(rùn)滑方面研究的不斷深入,有機(jī)硅烷類SAMs特別是由兩種及兩種以上硅烷分子制備的混合SAMs以其特有的減摩性能得到了研究人員的廣泛關(guān)注。本文對(duì)3-氨基丙基三乙氧基(APS)和十二烷基三甲氧基(WD-10)兩種硅烷分子混合自組裝膜的制備工藝及其微摩擦學(xué)性能進(jìn)行了研究。為了獲得混合自組裝膜制備過(guò)程中最佳的組裝工藝,利用Materials Studio(MS)軟件,分別建立Si(1 0 0)基底、APS和WD-10的分子模型,并基于硅烷分子在基底表面的覆蓋率,建立了包含SAMs層和硅片基底層的分子體系模型。同時(shí),對(duì)創(chuàng)建的分子體系模型進(jìn)行分子動(dòng)力學(xué)模擬,探究了不同組裝溫度和分子濃度比等制備工藝對(duì)混合自組裝膜性能的影響,為混合自組裝膜的制備實(shí)驗(yàn)提供理論依據(jù)�；贛S軟件模擬結(jié)果,在利用共吸附法自組裝技術(shù)制備APS和WD-10混合分子膜的過(guò)程中,充分考慮組裝溫度、分子濃度比以及組裝時(shí)間、溶液的PH值等制備環(huán)境對(duì)其性能的影響,制定了正交試驗(yàn)表制備出相應(yīng)的混合自組裝膜。利用X射線光電子能譜儀(XPS)與原子力顯微鏡(AFM)分別對(duì)制備好的混合自組裝膜和原始硅片表面的化學(xué)組成元素與表面形貌進(jìn)行表征分析,通過(guò)結(jié)果對(duì)比,獲得混合自組裝膜制備過(guò)程中的最好組裝條件,確定最佳的制備工藝。通過(guò)對(duì)混合自組裝膜共吸附法的制備過(guò)程進(jìn)行熱力學(xué)計(jì)算,得出硅烷分子能夠自發(fā)的吸附在硅片基底表面;利用微分變化和Maxwell關(guān)系式,推導(dǎo)出混合分子膜表面能的計(jì)算公式,發(fā)現(xiàn)薄膜表面能的降低有助于硅烷分子在基底組裝反應(yīng)的自發(fā)進(jìn)行。同時(shí),對(duì)共吸附法制備過(guò)程中環(huán)境因素影響硅烷分子在基底表面的組裝機(jī)理進(jìn)行了研究。最后,利用摩擦磨損試驗(yàn)機(jī)(UMT)對(duì)三種不同濃度比混合分子膜進(jìn)行宏觀摩擦實(shí)驗(yàn),探究了SAMs技術(shù)的減摩潤(rùn)滑情況。同時(shí),利用MEMS微摩擦試驗(yàn)機(jī)對(duì)混合分子膜的微觀摩擦學(xué)性能進(jìn)行了測(cè)試,分析了微摩擦過(guò)程中的摩擦機(jī)理,并對(duì)不同濃度比混合分子膜與原始硅片的摩擦系數(shù)與相對(duì)滑動(dòng)速度之間的關(guān)系進(jìn)行了測(cè)量,探討了不同載荷對(duì)混合自組裝膜摩擦系數(shù)的影響。
[Abstract]:With the development of self-assembled monolayer (SAMs) technology in the lubrication of MEMS devices, the hybrid SAMs prepared by two or more kinds of silane molecules has been paid more and more attention by researchers because of its unique antifriction properties. In this paper, the preparation and tribological properties of two kinds of silane molecular mixed self-assembly films, 3-aminopropyl triethoxy (APS) and dodecyl trimethoxy (WD-10), have been studied. In order to obtain the best assembly process during the preparation of hybrid self-assembled films, the molecular models of Si(1 _ (00) substrates and WD-10 were established by using Materials Studio MS software, respectively, and based on the coverage of silane molecules on the substrate surface. A molecular system model including SAMs layer and silicon substrate was established. At the same time, the molecular dynamics simulation of the molecular system model was carried out, and the effects of different preparation processes such as assembly temperature and molecular concentration ratio on the properties of the hybrid self-assembled films were investigated, which provided the theoretical basis for the preparation of the hybrid self-assembled films. Based on the simulation results of MS software, in the process of preparing APS and WD-10 mixed molecular membranes by co-adsorption self-assembly technology, the effects of assembly temperature, molecular concentration ratio and assembly time, PH value of solution on the properties of the films were considered. The orthogonal test table was established to prepare the corresponding mixed self-assembly films. X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM) were used to characterize and analyze the chemical composition and surface morphology of the mixed self-assembled films and the original silicon wafers, respectively. The best assembly conditions were obtained and the optimal preparation process was determined. Based on the thermodynamic calculation of the preparation process of the mixed self-assembled membrane, it is concluded that the silane molecules can spontaneously adsorb on the surface of the silicon substrate, and the formula for calculating the surface energy of the mixed molecular membrane is derived by using the differential variation and the Maxwell relation. It is found that the decrease of the surface energy of the films is helpful to the spontaneous assembly of silane molecules on the substrate. At the same time, the effect of environmental factors on the assembly mechanism of silane on the substrate surface was studied. Finally, three kinds of mixed molecular films with different concentration were tested by using friction and wear tester, and the antifriction lubrication of SAMs technology was investigated. At the same time, the micro-tribological properties of the mixed molecular films were tested by MEMS micro-friction tester, and the friction mechanism in the process of micro-friction was analyzed. The relationship between friction coefficient and relative sliding velocity of mixed molecular film and original silicon wafer with different concentration ratio was measured and the influence of different loads on friction coefficient of hybrid self-assembled film was discussed.
【學(xué)位授予單位】：中國(guó)礦業(yè)大學(xué)
【學(xué)位級(jí)別】：碩士
【學(xué)位授予年份】：2015
【分類號(hào)】：TB383.2

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本文編號(hào)：1960957