Application of a new conformal contact force model to nonlinear dynamic behavior analysis of parallel robot with spherical clearance joints

Nonlinear Dynamics - Contact and friction phenomena in clearance joint adversely affect mechanical performance and may even result in chaos within the mechanism. Analysis of nonlinear...     

化学实验操作技能测评可靠性分析

化学实验操作技能测评一般包括三个方面：一是实验操作过程的评定,二是实验结果的评定,三是完成实验所需时间的测量。有关测评的可靠性间题目前还少见报导。本人有幸接触到一次职业高中化学分析工(初级工)技术等级考核的过程和基础资料,经数据统计后,试对其可靠性作一初步的分析探讨。     

钙钛矿二维纳米材料的合成和发光研究进展

钙钛矿纳米材料的研究取得了飞速发展:一方面,合成方法不断涌现,已经可以实现从零维纳米晶、一维纳米线到二维纳米片的形貌精确控制,对其尺寸和维度依赖的光学性质认识也不断深入;另一方面,钙钛矿纳米材料的光学和光电子应用也得到了快速发展,其中,基于钙钛矿量子点的光致发光和电致发光技术最受关注。 由于钙钛矿的天然层状结构,通过配体调控很容易制备出二维纳米材料,其发光性能可以通过层数和组分进行调节,最高量子产率超过85%,且具有偏振发光特性,有望成为一类新型发光材料。 本文从制备方法、光致发光和电致发光应用等方面综述了基于钙钛矿二维纳米材料的进展,并对其未来的发展方向进行讨论。     

Modeling and simulation of thermocapillary flows using lattice Boltzmann method

To understand how thermocapillary forces manipulate droplet motion in microfluidic channels, we develop a lattice Boltzmann (LB) multiphase model to simulate thermocapillary flows. The complex hydrodynamic interactions are described by an improved color-fluid LB model, in which the interfacial tension forces and the Marangoni stresses are modeled in a consistent manner using the concept of a continuum surface force. An additional convection–diffusion equation is solved in the LB framework to obtain the temperature field, which is coupled to the interfacial tension through an equation of state. A stress-free boundary condition is also introduced to treat outflow boundary, which can conserve the total mass of an incompressible system, thus improving the numerical stability for creeping flows.The model is firstly validated against the analytical solutions for the thermocapillary driven convection in two superimposed fluids at negligibly small Reynolds and Marangoni numbers. It is then used to simulate thermocapillary migration of three-dimensional deformable droplet at various Marangoni numbers, and its accuracy is once again verified against the theoretical prediction in the limit of zero Marangoni number. Finally, we numerically investigate how the localized heating from a laser can block the microfluidic droplet motion through the induced thermocapillary forces. The droplet motion can be completely blocked provided that the intensity of laser exceeds a threshold value, below which the droplet motion successively undergoes four stages: constant velocity, deceleration, acceleration, and constant velocity. When the droplet motion is completely blocked, four steady vortices are clearly visible, and the droplet is fully filled by two internal vortices. The external vortices diminish when the intensity of laser increases.     

A periodic DFT study on adsorption of small molecules(CH_4,CO,H_2O,H_2S,NH_3)on the WO_3(001) surface-supported Au

Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calculation of adsorption energy,we found the most stable adsorption site for gas molecules by comparing the adsorption energies of different gas molecules on the WO3(001)surface.We have also compared the adsorption energy of five different gas molecules on the WO3(001)surface,our calculation results show that when the five kinds of gases are adsorbed on the pure WO3(001)surface,the order of the surface adsorption energy is CO>H2S>CH4>H2O>NH3.And the results show that NH3 is the most easily adsorbed gas among the other four gases adsorbed on the surface of pure WO3(001)surface.We also calculated the five different gases on the Au-doped WO3(001)surface.The order of adsorption energy was found to be different from the previous calculation:CO>CH4>H2S>H2O>NH3.These results provide a new route for the potential applications of Au-doped WO3 in gas molecules adsorption.     

Pore-Scale Study of Rarefied Gas Flows Using Low-Variance Deviational Simulation Monte Carlo Method

Transport in Porous Media - Gaseous flow through ultra-tight porous media, e.g. shale and some high-performance insulation materials, is often rarefied, invalidating an analysis by the continuum...     

Effect of flow development region and fringing magnetic force field on annular split-flow thin fractionation

Split-flow thin (SPLITT) fractionation devices have been widely used to separate macromolecules, colloids, cells and particles. Recently, the quadrupole magnetic flow sorter (QMS) has been reported in the literature as another family of SPLITT fractionation device. However, the separation performance observed in the experimental measurements is generally found to deviate from the ideal behaviour. Possible causes such as hydrodynamic lift force, high particle concentration and imperfect geometries have been extensively examined. However, the effects of flow development regions and fringing magnetic force field at the separation channel inlet and outlet, which are ignored by the theory, have not been investigated. The error introduced by ignoring these effects need to be rigorously studied so that the theory can be used to optimise operation flow rates with confidence. Indeed, we find in this paper that these ignored effects are responsible to the discrepancy between the experimental data and the theoretical predictions. A new theory has been proposed for optimisation of device operation.     

In situ conductivity measurement of matter under extreme conditions by film fabrication on diamond anvil cell

The film-fabricating technology has been used to prepare the microcircuit on diamond anvil for resistivity measurement under extreme conditions. We chose molybdenum as the electrode material and alumina as the insulator and protective material. The sample thickness measurement was conducted and then the resistivity correction was performed under different thickness. The experimental error was proved to be less than 10%. By mounting alumina film between diamond anvil and microcircuit, high-temperature performance of a laser heating diamond anvil cell was improved obviously, which is available for in situ resistivity measurement under high pressure and high temperature. Meanwhile, the impedance spectroscopy of a powdered semiconductor sample was detected. Through the impedance arcs obtained, the grain boundary contribution to the resistivity can be well distinguished.     

Extended Koopmans' theorem at the second-order perturbation theory

The extended Koopmans' theorem (EKT), when combined with the second-order Møller−Plesset (MP2) perturbation theory through the relaxed density matrix approach [J. Cioslowski, P. Piskorz, and G. Liu, J. Chem. Phys. 1997, 107, 6,804], provides a straightforward way to calculate the ionization potentials (IPs) as an one electron quantity. However, such an EKT-MP2 method often suffers from the negative occupation problem, failing to provide the complete IP spectra for a system of interest. Here a small positive number scheme is proposed to cure this problem so as to remove the associated unphysical results. In order to obtain an in-depth physical interpretation of the EKT-MP2 method, we introduce a Koopmans-type quantity, named KT-MP2, based on which the respective contribution from the relaxation and the correlation parts in the EKT-MP2 results are recognized. Furthermore, the close relationship between the EKT-MP2 method and the derivative approach of the MP2 energy with respect to the orbital occupation numbers [N. Q. Su and X. Xu, J. Chem. Theory Comput. 2015, 11, 4,677] is revealed. When these MP2-based methods are applied to a set of atoms and molecules, new insights are gained on the role played by the relaxation and the correlation effects in the electron ionization processes.     

Superhydrophobic,strong and transparent paper made from cellulosic fibers

Cellulose - Superhydrophobic and strong cellulosic paper was fabricated in a two-step process consisting of heavy refining and dip coating with PDMS (trimethylsiloxy-terminated poly...