本文關(guān)鍵詞：碳納米管和二硫化鉬納米管振蕩器的分子動(dòng)力學(xué)研究　出處：《南昌航空大學(xué)》2017年碩士論文　論文類型：學(xué)位論文

  更多相關(guān)文章： 碳納米管 MoS_2納米管 振蕩器 螺旋上升 分子動(dòng)力學(xué)

【摘要】：隨著科技日新月異的發(fā)展,納米科學(xué)作為本世紀(jì)的一門前沿科學(xué),起到了舉足輕重的作用。納米材料所具有的一些獨(dú)特性能,為下一代性能卓越且構(gòu)造精細(xì)的儀器件的開發(fā)提供了可能。本文以當(dāng)下研究熱門的納米機(jī)電系統(tǒng)為對(duì)象,提出了基于兩種不同材料設(shè)計(jì)的納米振蕩器—傳統(tǒng)的雙壁碳納米管(Carbon Nanotube,CNT)振蕩器和新型的雙壁異質(zhì)CNT@MoS_2納米管振蕩器。并采用經(jīng)典的分子動(dòng)力學(xué)方法,研究了納米振蕩器的振蕩行為特性以及相關(guān)參數(shù)對(duì)其振蕩行為的影響,其主要研究?jī)?nèi)容如下:(1)此次在對(duì)扶手椅型@鋸齒型的雙壁碳納米管體系的研究中,本文首次提出了一種全新的方法—螺旋上升法,即通過(guò)給扶手椅型的內(nèi)管施加一個(gè)螺旋上升長(zhǎng)度以此來(lái)改善內(nèi)管的振蕩行為。運(yùn)用分子動(dòng)力學(xué)模擬的方法,我們分析了不同大小的螺旋上升長(zhǎng)度對(duì)內(nèi)管振蕩穩(wěn)定性、振蕩幅度和振蕩頻率的影響。研究發(fā)現(xiàn)內(nèi)管的振蕩行為對(duì)螺旋上升長(zhǎng)度很敏感。扶手椅型的內(nèi)管在逐漸增加螺旋上升長(zhǎng)度后,其軸向的自激發(fā)振蕩行為有所改善,且當(dāng)扶手椅型的內(nèi)管所具有的螺旋上升長(zhǎng)度大小為1nm時(shí),在800ps后,它能保持穩(wěn)定的振蕩且其振蕩的平衡位置與初始時(shí)刻的位置也能相互匹配。通過(guò)此次模擬,我們發(fā)現(xiàn)可以給扶手椅型的內(nèi)管施加一個(gè)合適的螺旋上升長(zhǎng)度來(lái)設(shè)計(jì)一種穩(wěn)定和低耗散的旋轉(zhuǎn)自激發(fā)雙壁碳納米管振蕩器。(2)CNT@MoS_2雙壁納米管振蕩器在此次研究中首次通過(guò)了分子動(dòng)力學(xué)的方法對(duì)其振蕩行為進(jìn)行了考察。模擬結(jié)果顯示,本次研究的異質(zhì)形態(tài)CNT@MoS_2雙壁納米管振蕩器,其內(nèi)管能在間距值為0.289nm~0.681nm的范圍內(nèi)穩(wěn)定而持續(xù)的振蕩且其振蕩頻率能達(dá)到吉兆赫茲以上,與傳統(tǒng)的碳納米管振蕩器相比,異質(zhì)形態(tài)的CNT@MoS_2納米管振蕩器具有很寬的間距優(yōu)勢(shì)。模擬結(jié)果還顯示CNT@MoS_2雙壁納米管的內(nèi)、外管具有不同的管狀結(jié)構(gòu)特征時(shí),其更適合充當(dāng)?shù)蛽p耗振蕩的納米振蕩器。(3)通過(guò)分子動(dòng)力學(xué)方法,首次研究了旋轉(zhuǎn)型CNT@MoS_2雙壁納米管體系其內(nèi)管軸向的自激發(fā)振蕩行為。模擬結(jié)果顯示,CNT@MoS_2雙壁納米管體系其內(nèi)管能在5GHz~500GHz的旋轉(zhuǎn)頻率下一直保持持續(xù)而穩(wěn)定的軸向振蕩,且其振蕩頻率能達(dá)到吉兆赫茲,而對(duì)于以往傳統(tǒng)的旋轉(zhuǎn)型雙壁碳納米管體系其內(nèi)管的自激發(fā)振蕩行為要經(jīng)過(guò)很長(zhǎng)一段時(shí)間的激勵(lì)才能保持穩(wěn)定的振蕩。模擬中還研究了溫度對(duì)旋轉(zhuǎn)型CNT@MoS_2雙壁納米管振蕩行為的影響。研究發(fā)現(xiàn)當(dāng)體系的溫度低于300K時(shí),內(nèi)管沿軸向的振蕩行為在整個(gè)模擬過(guò)程中表現(xiàn)的很穩(wěn)定且內(nèi)管的振蕩幅度和振蕩頻率隨著溫度的升高都有所增加;而當(dāng)體系溫度達(dá)到300K時(shí),內(nèi)管的振蕩行為卻很不穩(wěn)定。
[Abstract]:With the rapid development of science and technology, nanoscience, as a frontier science in this century, plays an important role. Nanomaterials have some unique properties. For the next generation of excellent performance and fine structure of the development of instruments. This paper focuses on the current research on nano-electromechanical systems as the object. A novel nano-oscillator based on two different materials, the traditional two-walled carbon nanotube Nanotube, is proposed. CNT) oscillator and a new type of double-walled heterostructure CNT@MoS_2 nanotube oscillator are used in this paper. The classical molecular dynamics method is also used. The characteristics of oscillatory behavior and the effect of related parameters on the oscillatory behavior of nano-oscillator are studied. The main contents of this study are as follows: 1) in this study, the armchair type @ sawtooth double-walled carbon nanotube system is studied. In this paper, a new method, the spiral rise method, is proposed for the first time, in order to improve the oscillatory behavior of the inner tube by adding a spiral rise length to the inner tube of the armchair, and the method of molecular dynamics simulation is used. The stability of the internal tube oscillating with different spiral riser lengths is analyzed. It is found that the oscillation behavior of the inner tube is very sensitive to the spiral rise length. The armchair type inner tube increases the spiral rise length gradually. The axial self-excited oscillation behavior is improved, and when the spiral rise length of the armchair type inner tube is 1 nm, after 800 PS. It can maintain stable oscillation and the equilibrium position of its oscillation can match the position of the initial moment. We have found that an appropriate spiral rise length can be applied to the armchair type inner tube to design a stable and low dissipative rotating self-excited double-walled carbon nanotube oscillator. In this study, the oscillation behavior of CNT@MoS_2 double-walled nanotube oscillator was investigated by molecular dynamics for the first time. The heterostructure of CNT@MoS_2 double-walled nanotube oscillator is studied in this paper. The inner tube can oscillate steadily and continuously in the range of 0.289 nm and 0.681nm, and its oscillation frequency can reach more than gigahertz, which is compared with the traditional carbon nanotube oscillator. The heterogenous CNT@MoS_2 nanotube oscillator has the advantage of wide spacing. The simulation results also show that the CNT@MoS_2 double-walled nanotubes have different tubular structure characteristics. It is more suitable to act as a low-loss oscillating nano-oscillator. The self-excited oscillation behavior of the inner tube in a rotating CNT@MoS_2 double-walled nanotube system is investigated for the first time. The inner tube of CNT@MoS_2 double-walled nanotube system can maintain a constant and stable axial oscillation at the rotation frequency of 5GHz ~ 500GHz, and its oscillation frequency can reach GHz. However, the self-excited oscillation behavior of the inner tube of the traditional rotating double-walled carbon nanotube system can be kept stable only after a long period of excitation. In the simulation, the effect of temperature on the rotation type CNT@M is also studied. The effect of the oscillatory behavior of oS_2 double-walled nanotubes. It is found that the temperature of the system is lower than 300K. The oscillation behavior of the inner tube along the axial direction is very stable in the whole simulation process and the oscillation amplitude and frequency of the inner tube increase with the increase of temperature. However, when the temperature of the system reaches 300 K, the oscillation behavior of the inner tube is unstable.
【學(xué)位授予單位】：南昌航空大學(xué)
【學(xué)位級(jí)別】：碩士
【學(xué)位授予年份】：2017
【分類號(hào)】：TN752;TB383.1

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