發(fā)布時(shí)間：2018-07-28 17:48

【摘要】：He-Ne激光陀螺作為一種常用的慣性制導(dǎo)器件,在現(xiàn)代航空、航海、航天等國(guó)防事業(yè)領(lǐng)域應(yīng)用廣泛。電極與諧振腔的熱壓封接是He-Ne激光陀螺生產(chǎn)過(guò)程中的核心工藝之一,封接界面的失效會(huì)直接造成諧振腔內(nèi)真空放電環(huán)境的改變,降低產(chǎn)品的有效壽命。文章基于分子動(dòng)力學(xué)和第一性原理理論對(duì)陰極Al/In和陽(yáng)極Cu/In界面進(jìn)行數(shù)值模擬,研究了Al(001)/In(001)界面原子擴(kuò)散以及屈服失效過(guò)程,分析界面的失效機(jī)理,旨在為進(jìn)一步優(yōu)化諧振腔與電極銦封工藝提供理論指導(dǎo)。主要研究?jī)?nèi)容如下:1)基于第一性原理理論,對(duì)Al、Cu、In理想晶體進(jìn)行結(jié)構(gòu)優(yōu)化,對(duì)優(yōu)化后三種晶體各低指數(shù)表面模型的弛豫狀態(tài)、表面能和表面態(tài)密度進(jìn)行綜合分析,結(jié)果表明Al(111)、Cu(111)、In(001)三個(gè)表面最穩(wěn)定。2)以穩(wěn)定表面分別構(gòu)建Al(111)/In(001)和Cu(111)/In(001)界面初始模型,通過(guò)對(duì)比優(yōu)化后兩種界面的界面能、吸附能和解離能數(shù)據(jù),并進(jìn)一步分析界面附近原子的弛豫狀態(tài),結(jié)果發(fā)現(xiàn)理想Cu(111)/In(001)界面比Al(111)/In(001)界面更加穩(wěn)定,界面強(qiáng)度更高;界面的電子態(tài)密度分布顯示Al/In和Cu/In原子電子態(tài)在一定能量區(qū)間出現(xiàn)重疊,界面電荷密度及差分電荷密度圖顯示界面處原子間形成共價(jià)鍵作用,其中Cu(111)/In(001)界面電荷轉(zhuǎn)移程度更高。3)基于2NN-MEAM原子作用勢(shì),采用經(jīng)典分子動(dòng)力學(xué)研究了不同工藝溫度及壓力下Al(111)/In(001)和Cu(111)/In(001)界面拉伸強(qiáng)度的變化規(guī)律,計(jì)算結(jié)果表明陰極封接最佳工藝參數(shù)為463K、4MPa,陽(yáng)極封接最佳工藝參數(shù)為423K、5MPa,相同溫度和壓力下Cu(111)/In(001)界面拉伸強(qiáng)度高于Al(111)/In(001)界面。4)對(duì)Al(001)/In(001)界面原子擴(kuò)散以及拉伸失效過(guò)程進(jìn)行分析,發(fā)現(xiàn)界面失效表現(xiàn)為界面層及銦層內(nèi)部產(chǎn)生缺陷,進(jìn)一步形成氣體滲透通道,造成諧振腔內(nèi)部真空環(huán)境發(fā)生改變。
[Abstract]:As a common inertial guidance device, He-Ne laser gyroscope is widely used in the fields of modern aviation, navigation, space and other defense industries. The hot pressure sealing of electrode and resonant cavity is one of the core processes in the production process of He-Ne laser gyro. The failure of sealing interface will directly cause the change of vacuum discharge environment in the resonator and reduce the product Based on the molecular dynamics and the first principle theory, the numerical simulation of the cathode Al/In and the anode Cu/In interface is carried out. The atomic diffusion and yield failure process of Al (001) /In (001) interface are studied, and the failure mechanism of the interface is analyzed. The purpose is to provide theoretical guidance for further optimization of the resonant cavity and the electrode indium sealing process. The following contents are as follows: 1) based on the theory of first principle, the structure optimization of Al, Cu, In ideal crystal is optimized. The relaxation state, surface energy and surface state density of each low index surface model of the three crystals are synthetically analyzed. The results show that Al (111), Cu (111), In (001) and the most stable.2) are constructed to stabilize the surface of Al (111) /In (001) respectively. With the initial model of Cu (111) /In (001) interface, by comparing the interfacial energy of the two interfaces, the adsorption energy and dissociation energy data are compared, and the relaxation state of the atoms near the interface is further analyzed. The results show that the ideal Cu (111) /In (001) interface is more stable than the Al (111) /In (001) boundary and the interface strength is higher; the distribution of electronic density of states of the interface shows Al/In The electron state of Cu/In overlaps in a certain energy range, the interface charge density and the difference charge density map show the covalent bond between atoms at the interface, and the charge transfer degree of Cu (111) /In (001) interface is higher.3) based on the 2NN-MEAM atom action potential, using the classical molecular dynamics to study the Al (1) under the different process temperature and pressure. 11) the variation of the tensile strength of /In (001) and Cu (111) /In (001) interface. The results show that the best process parameters of the cathodic bonding are 463K, 4MPa, and the optimum technological parameters of the sealing are 423K, 5MPa, the tensile strength of the Cu (111) /In (001) interface under the same temperature and pressure is higher than the Al (111) /In (001) interface.4). The failure process is analyzed. It is found that the interface failure shows the defects in the interface layer and indium layer, and the gas permeation channel is further formed, which causes the change of the vacuum environment inside the resonator.
【學(xué)位授予單位】：合肥工業(yè)大學(xué)
【學(xué)位級(jí)別】：碩士
【學(xué)位授予年份】：2017
【分類(lèi)號(hào)】：TN96

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