静水压对立方钙钛矿CsSnX3(X=I, Br, Cl)光电性质的第一性原理探究

全无机无铅卤化物钙钛矿已经成为重要的新一代太阳能电池材料.采用密度泛函理论的第一性原理研究了不同静水压下CsSnX₃(X=I, Br, Cl)材料的晶体结构,电子结构和光学性能,并分析了其内在联系.结果表明施加静水压可使材料中Sn-X键长减小,使原子之间的耦合增强,带隙值减小,且随着卤族元素半径的增大,压力效应越明显;随着压力的增加,材料的吸收系数和复折射率增大,吸收光谱出现红移现象,在可见光区和近红外光区吸收增强.相比CsSnBr₃和CsSnCl₃,CsSnI₃在可见光区吸收最佳且受压力作用影响最小,更适用于钙钛矿太阳能电池材料.     

考虑密封的悬臂转子系统的裂纹故障分析

以双盘悬臂立式转子-轴承系统为研究对象，建立了系统运动微分方程，并用数值方法分析了在非线性密封力和非线性油膜力作用下的裂纹转子的动力学特性。分析表明，在一定深度裂纹下，转子系统响应随不同角频率比表现出复杂的非线性现象，出现了周期k运动、拟周期运动和混沌运动等多种运动形式。在一定角速度时，工作在远离临界角速度区的转子系统对裂纹非常敏感，而工作在近临界角速度区的转子系统对裂纹不是特别敏感，但是裂纹对它的运动状态影响较大。该研究结果为该类转子-轴承系统的安全运行与故障诊断提供了一定的理论参考。     

Stress and Strain Analysis of Pipelines with Localized Metal Loss

This paper presents the analysis of stress and strain data acquired with the finite element method and with tests that used post-yielding strain gages bonded onto the external surface of pipes that suffered thickness metal loss and that had been loaded with internal pressure. These metal loss areas were produced by three different processes: actual internal corrosion, careful machining of external patches by spark-erosion, and milling of internal or external patches to simulate limited or extensive strip corrosion defects with depths up to 70% of the pipe’s thickness. Results show that: (1) the extensive longitudinal internal or external defect areas behave as extensive strips with a high degree of freedom to deform elastically and plastically in the circumferential and thickness directions, and (2) large restraints are offered to the longitudinal strains by the non-corroded thick walls parallel to the strip. Using the above experimental observation, a simple mathematical model was developed to predict the burst pressure of pipes with longitudinal extensive and reasonably constant depths of metal loss. This model employed thin-pipe-strength-of-material equations associated to a bulging correction factor, the material’s uniaxial ultimate strength and the von Mises criterion. The onset of plastic collapse predicted by the simple model was successfully compared with results determined from actual hydrostatic tests that were carried out with full scale pipe specimens and from finite element results generated by the use of a commercial program. The developed model was also helpful in showing that the yield and burst behaviors of new or corroded pipeline specimens under laboratory test conditions can be directly compared and extended to the yield and burst behaviors of buried pipeline in field operation.     

The effect of hydrostatic pressure,temperature and magnetic field on the nonlinear optical properties of asymmetrical Gaussian potential quantum wells

In this study, simultaneous effects of hydrostatic pressure, temperature and magnetic field on the linear and nonlinear intersubband optical absorption coefficients (OACs) and refractive index changes (RICs) in asymmetrical Gaussian potential quantum wells (QWs) are theoretically investigated within the framework of the compact-density-matrix approach and iterative method. The energy eigenvalues and their corresponding eigenfunctions of the system are calculated with the differential method. Our results show that the position and the magnitude of the resonant peaks of the nonlinear OACs and RICs depend strongly on the hydrostatic pressure, temperature and external magnetic field. This gives a new degree of freedom in various device applications based on the intersubband transitions of electrons.     

The effects of pressure and hydrogenic donor impurity on the linear and nonlinear optical properties of a GaAs/GaAlAs nanowire superlattice

The combined effects of hydrostatic pressure, presence and absence of hydrogenic donor impurity are investigated on the linear and nonlinear optical absorption coefficients and refractive index changes of a GaAs/Ga_1−xAl_xAs nanowire superlattice. The wave functions and corresponding eigenvalues are calculated using finite difference method in the framework of effective mass approximation. Analytical expressions for the linear and third order nonlinear optical absorption coefficients and refractive index changes are obtained by means of compact-density matrix formalism. The linear and third order nonlinear absorption coefficient and refractive index changes are presented as a function of photon energy for different values of hydrostatic pressure, incident photon intensity and relaxation time in the presence and absence of hydrogenic donor impurity. It is found that the linear and third order nonlinear absorption coefficients, refractive index changes and resonance energy are quite sensitive to the presence of impurity and applied hydrostatic pressure. Moreover, the saturation in optical spectrum and relaxation time can be adjusted by increasing pressure in presence of impurity whereas the effect of hydrostatic pressure is negligible in the case of absence of hydrogenic impurity.     

倾斜微孔端面气体密封的动压特性研究

为提高多孔端面气体密封的动压特性, 提出 １种双列倾斜椭圆微孔端面密封结构． 基于气体润滑理论模 型, 采用数值方法分析了操作参数和微孔几何参数对密封泄漏率和开启力的影响规律, 探讨了倾斜微孔的上、 下游 泵送作用对气体密封动压特性的作用机理． 结果表明： 与单列倾斜微孔端面气体密封相比, 双列倾斜微孔端面气体 密封可使动压开启力显著增加, 低压侧微孔环带可将下游流体沿微孔倾斜方向向上游泵送, 使得泄漏率显著降低, 气体密封动压效应明显增强; 密封动压性能受反向开孔比、 微孔倾角、 面积比和孔深等几何参数的影响, 本文给出了 这些参数的优化取值范围．     

径向直线槽端面密封空化特性数值模拟

基于质量守恒边界条件,建立了径向直线槽端面密封空化特性的数值模型.控制方程为考虑惯性的定常不可压缩Reynolds方程,利用有限控制体积法对其进行离散,采用分块加权方法计算膜厚突变处流量,迭代方法为Gauss-Siedel松弛迭代,并对空化特性影响因素进行了分析.结果表明：不同工况下,油膜破裂位置均在膜厚突然增大处,密封坝阻碍空化的产生;空穴区域随着转速的增大而增大,随着槽深的增大而减小;空化区域在径向由静压决定,周向由动压决定,二者对空化的影响相互独立.     

Donor impurity states in coupled quantum well wires under hydrostatic pressure and applied electric field

In this work we study the binding energy of the ground state for a hydrogenic donor impurity in laterally coupled GaAs/Ga_1−xAl_xAs quantum well wires, considering the simultaneous effects of hydrostatic pressure and applied electric field. We have used a variational method and the effective mass and parabolic band approximations. The low dimensional structure consists of two quantum well wires with rectangular transverse section coupled by a central Ga_1−xAl_xAs barrier. Our results are reported for several sizes of the structure and we have taken into account variations of the impurity position along the growth direction of the heterostructure.     

Combined effects of electric field and hydrostatic pressure on electron states in asymmetric GaAs/(Ga,Al) triple quantum dots

The combined effects of an in-growth direction applied electric field and hydrostatic pressure on the exciton binding energy and photoluminescence energy transitions are reported in this work for triple vertically coupled quantum dots. The calculations have been carried out within the effective mass approximation, and using a variational procedure. The results show that the exciton binding energy and the photoluminescence energy transitions are functions of external probes like the hydrostatic pressure and the applied electric field.     

Simultaneous effects of hydrostatic pressure and electric field on impurity binding energy and polarizability in coupled InAs/GaAs quantum wires

This work is concerned with the theoretical study of the combined effects of applied electric field and hydrostatic pressure on the binding energy and impurity polarizability of a donor impurity in laterally coupled double InAs/GaAs quantum-well wires. Calculations have been made in the effective mass and parabolic band approximations and using a variational method. The results are reported for different configurations of wire and barriers widths, impurity position, and electric field and hydrostatic pressure strengths. Our results show that for symmetrical structures the binding energy is an even function of the impurity position along the growth direction of the structure. Also, we found that for hydrostatic pressure strength up to 38 kbar, the binding energy increases linearly with hydrostatic pressure, while for larger values of hydrostatic pressure the binding energy has a non-linear behavior. Finally, we found that the hydrostatic pressure can increase the coupling between the two parallel quantum-well wires.