圆形复合式磁控溅射阴极设计及其放电特性模拟研究

基于二维有限元算法使用COMSOL软件对圆形复合式磁控溅射阴极的磁场进行了计算,结合Matlab优化工具箱分别采用遗传算法和模拟退火算法对圆形复合式磁控溅射阴极的结构进行优化,得到靶材利用率达到最大的最优结构.对得到的最优化磁控阴极,基于自洽粒子模拟方法,使用VSim软件对不同工况下的放电特性进行了模拟.研究发现随着磁场非平衡度的增加,阴极表面电势降落最大的位置和等离子体聚集的位置,沿着阴极表面外沿不断向阴极中心移动,阴极表面磁场的强度不断减小.随着磁场非平衡度的增加,等离子体密度先增加后减小,鞘层厚度先减小后增加,等离子体的密度和鞘层厚度不仅与磁场非平衡度有关,而且与磁场强度有关.最后根据粒子模拟的结果,对复合式磁控阴极的靶材刻蚀深度进行了研究.研究发现,在优化前后靶材的刻蚀范围从60 mm扩展至整个靶面,极大地提高了靶材利用率.     

Al掺杂对Mg_2Si介电性质影响的第一性原理研究

采用基于密度泛函理论的第一性原理平面波超软赝势方法,计算了本征Mg_2Si和Al掺杂Mg_2Si的形成能、电子结构和介电函数.结果表明,Al掺杂Mg_2Si后,Al以替位杂质(Al替Mg位,即AlMg)或填隙杂质(Al位于晶胞间隙位,即Ali)的形式进入Mg_2Si晶格.费米能级进入导带,体系呈n型导电.掺杂后体系的介电函数的实部和虚部在低频时比未掺杂时均增大,主要是由于晶格中的施主杂质Al离子束缚着附近的过剩电子,在外加交变电场的作用下,束缚在Al离子周围的电子要克服一定的势垒不断地往复运动造成松弛极化和损耗.另外,掺杂体系相对于未掺杂体系,介电函数的虚部在0.5 eV附近出现了一个额外的介电峰,该峰主要是由电子从价带跃迁到Al杂质能级引起的.计算结果为Mg_2Si基光电子器件的设计和应用提供了理论依据.     

探空湿度测量太阳辐射误差修正流体动力学研究

针对太阳辐射加热导致的误差显著限制了相对湿度测量的准确度,提出一种新颖的相对湿度误差修正方法—–基于流体动力学的数值分析法.在流体-固体耦合传热数值模拟分析中考虑探空湿度传感器的外部热环境情况,施加对流-太阳辐射耦合热边界条件,建立了地面到32 km高空不同气压和温度条件下探空湿度传感器的温度误差分析模型.结合Goff-Gratch饱和水汽压逼近公式,进而提出了相应的相对湿度误差流体动力学数值分析模型,并且着重研究了太阳辐射方向、传感器尺寸、反射率和衬底材料热导率等物理参数对相对湿度误差的影响.分析数值仿真结果表明:随着海拨的升高,其与太阳辐射加热引起的相对湿度误差之间存在非线性的单调递增关系;太阳辐射方向对于湿度测量精度的影响显著,当太阳辐射方向垂直于传感器正面时误差最大、传感器顶部时次之、侧面时误差最小;虽然通过减小探空湿度传感器的尺寸、降低衬底材料的热导率以及提高反射率均可以一定程度地降低太阳辐射加热引起的相对湿度误差,但是在低气压高空条件下,太阳辐射加热误差对于湿度准确性的影响仍然十分明显,需加以修正.与实验结果对比表明,基于流体动力学模拟仿真的相对湿度误差数值分析法为辐射误差修正提供了一种新的途径.     

BaHf0.5Ti0.5O3电子结构与光学性质的第一性原理研究

基于密度泛函理论体系下的广义梯度近似（GGA）,利用第一性原理方法研究了BaHf_0.5Ti_0.5O₃的电子结构和光学性质.计算结果表明,BaHf_0.5Ti_0.5O₃是一种间接带隙半导体材料,其导带底主要由Ba、Hf和Ti的d态电子构成,价带顶则主要由O的p态、Hf和Ti的d态电子构成;理论计算的介电函数最高峰的峰位与实验结果吻合较好,相对误差小于4%;吸收系数最大峰值为2.43×10⁵cm^-1,且吸收主要集中在低能区,静态折射率为2.01,能量损失峰出现在13.24 eV处.研究结果为BaHf_0.5Ti_0.5O₃光电材料设计与应用提供了理论依据.     

Monte Carlo study of the universal area distribution of clusters in the honeycomb O（n） loop model

We investigate the area distribution of clusters (loops) in the honeycomb O(n) loop model by means of the worm algorithm with n = 0.5, 1, 1.5, and 2. At the critical point, the number of clusters, whose enclosed area is greater than A, is proportional to A-1 with a proportionality constant C. We confirm numerically that C is universal, and its value agrees well with the predictions based on the Coulomb gas method.     

First-Principle Calculations for Elastic and Thermodynamic Properties of Diamond

The elastic constants and thermodynamic properties of diamond are investigated by using the CRYSTAL03 program. The lattice parameters, the bulk modulus, the heat capacity, the Grüneisen parameter, and the Debye temperature are obtained. The results are in good agreement with the available experimental and theoretical data. Moreover, the relationship between V/V₀ and pressure, the elastic constants underhigh pressure are successfully obtained. Especially, the elastic constants of diamond under high pressure are firstly obtained theoretically. At the same time, the variations of the thermal expansion α with pressure P and temperature T are obtained systematically in the ranges of 0-870 GPa and 0-1600 K.     

乳浊液进样—火焰原子吸收光谱法测定润滑油中锌铅

将样品的苯溶液用乳化剂OP乳化成乳浊液 ,取适量样品乳浊液配制成试液 ,喷入火焰 ,以氯化石蜡乳浊液作参比 ,用标准加入法测定。建立了测定润滑油中锌和铅的FAAS方法。对乳化剂的选择、背景吸收干扰、参比溶液的配制及检出限进行了考察。测定结果与灰化法 火焰原子吸收光谱法一致 ,相对误差小于± 3.0 %。方法简便、快速、准确。在火焰原子吸收光谱法中 ,用乳浊液进样技术取代灰化法处理样品是可行的     

Quantum Tunneling Radiation of Reissner-Nordström de Sitter Black Hole with a Global Monopole

Applying Parikh's quantum tunneling model, we study the quantum tunneling radiation of Reissner-Nordström de Sitter black hole with a global monopole. The result shows that the tunneling rates at the event horizon and the cosmic horizon are related to Bekenstein-Hawking entropy if we take the energy conservation into consideration, and the true radiate spectrum is not precisely thermal.     

Hawking Radiation of Charged Particles via Tunne ling from a Cylindrically Symmetric Black Hole in Anti-de Sitter Space-Time

Applying Parikh-Wilzcek‘s semi-classical quantum tunneling model, we study the Hawking radiation of charged particles as tunneling from the event horizon of a cylindrically symmetric black hole in anti-de Sitter space-time.The derived result shows that the tunneling rate of charged particles is related to the change of Bekenstein-Hawking entropy and that the radiation spectrum is not strictly pure thermal after taking the black hole background dynamical and self-gravitation interaction into account, but is consistent with the underlying unitary theory.