Modeling and prediction of bulk properties of open-cell carbon foam

The emerging ultralightweight material, carbon foam, was modeled with three-dimensional microstructures to develop a basic understanding in correlating microstructural configuration with bulk performance of open-cell foam materials. Because of the randomness and complexity of the microstructure of the carbon foam, representative cell ligaments were first characterized in detail at the microstructural level. The salient microstructural characteristics (or properties) were then correlated with the bulk properties through the present model. In order to implement the varying anisotropic nature of material properties in the foam ligaments, we made an attempt to use a finite element method to implement such variation along the ligaments as well as at a nodal point where the ligaments meet. The model was expected to provide a basis for establishing a process-property relationship and optimizing foam properties.The present model yielded a fairly reasonable prediction of the effective bulk properties of the foams. We observed that the effective elastic properties of the foams were dominated by the bending mode associated with shear deformation. The effective Young's modulus of the foam was strongly influenced by the ligament moduli, but was not influenced by the ligament Poisson's ratio. The effective Poisson's ratio of the foam was practically independent of the ligament Young's modulus, but dependent on the ligament Poisson's ratio. The effective Young's modulus of the carbon foam was dependent more on the transverse Young's modulus and the shear moduli of the foam ligaments, but less significantly on the ligament longitudinal Young's modulus. A parametric study indicated that the effective Young's modulus was significantly improved by increasing the solid modulus in the middle of the foam ligaments, but nearly invariant with that at the nodal point where the ligaments meet. Therefore, appropriate processing schemes toward improving the transverse and shear properties of the foam ligaments in the middle section of the ligaments rather than at the nodal points are highly desirable for enhancing the bulk moduli of the carbon foam.     

高效钙钛矿-有机本体异质结杂化串联太阳能电池

制备了一种有机铅卤钙钛矿-有机本体异质结杂化串联太阳能电池。采用紫外可见吸收光谱、原子力显微镜对薄膜形貌进行了表征。结果表明:有机本体异质结层可以有效改善钙钛矿的表面形貌, 增强了可见光的吸收。优化后的串联结构电池的短路电流可达19.14mA/cm², 开路电压为0.76V, 光电转换效率达到了6.54%。钙钛矿电池和有机本体异质结电池串联结构可以同时提高短路电流及填充因子, 二者具有较好的相容性和协同作用。     

石墨烯基双曲色散特异材料的负折射与体等离子体性质

基于有效介质理论研究了石墨烯/介质周期结构的电磁性质, 研究发现这种复合结构的等频面在太赫兹和远红外波段为双曲线, 可用来实现石墨烯基双曲色散特异材料. 通过改变石墨烯的费米能级、介质层厚度和单元结构中石墨烯的层数, 可很容易地调节双曲色散存在的频段. 由于等频面的双曲色散特性, 石墨烯基双曲色散特异材料在远低于截止频率的范围内, 对斜入射的电磁波具有负的能量折射率和正的相位折射率, 并支持局域体等离子体模式. 基于衰减全反射结构, 研究了体等离子体的激发, 探索了体等离子体在可调的光学反射调制器中的应用.     

基于分数阶流变模型的铁基块体非晶合金黏弹性行为研究

采用分数阶黏弹单元替代经典模型中的黏壶, 结合非晶合金在外加载荷作用下的微观结构演化, 建立了以分数阶微积分表示的非晶合金黏弹性本构模型. 并根据Hertz弹性理论及分数阶黏弹性本构模型, 推导了块体非晶合金在纳米压痕球形压头下的位移与载荷及时间关系式. 基于推导的解析式, 对铁基块体非晶合金在表观弹性区的纳米压痕位移与载荷及时间曲线进行了非线性拟合分析. 相较于整数阶模型, 分数阶模型不仅具有较高的拟合精度, 其拟合参数能敏锐地反应加载速率对块体非晶合金黏弹性行为的影响, 且参数的变化规律与载荷作用下非晶合金微观结构演化呈现出较强的相关性.     

烟酸分子印迹聚合物的制备及分子识别性能的研究

以烟酸(NA)为模板分子、4-乙烯基吡啶(4-VP)为功能单体、二甲基丙烯酸乙二醇酯(EGDMA)为交联剂、偶氮二异丁腈(AIBN)为引发剂,分别采用本体聚合法和溶胀聚合法制备了分子印迹聚合物MIP1及MIP2.静态平衡结合实验表明,MIP1、MIP2对NA的结合量Q分别为193.56、215.35 μmol/g,均大...     

Modeling the Dynamics of the Xylene Soluble Fraction (XS) in a Bulk Propylene Polymerization Process

A model is built to describe the dynamic trajectories of the xylene soluble fraction (XS) in an industrial bulk propylene polymerization process. Emphasis is given to the coupling between the XS dynamics and the reactor liquid bleed policy. It is shown that cocatalyst recirculation can affect the dynamics of the cocatalyst/donor ratio and consequently the dynamics of XS during polymerization. Simulation results indicate that the effect of the reactor liquid bleed operation and of the cocatalyst/donor ratio upon the XS trajectories can be minimized if PI controllers are designed to control the propane concentration and to increase the speed of the cocatalyst/donor transitions. Finally, it is shown that the model is able to reproduce the dynamic XS profile obtained during a large XS transition at plant site.

     

Separation of nitrophenols. Equilibriums in bi- and tri-phasic systems

The paper presents experimental data obtained in the study of liquid–liquid partition equilibriums in biphasic system in order to optimize the process of transport through bulk liquid membranes (triphasic partition systems). The partition equilibriums of some nitrophenols using chloroform as extraction solvent and membranary solvent, respectively, were studied. The influence of the pH on the partition equilibriums was investigated. The repartition constants and the pK_a values of the studied nitrophenols were calculated. Nitrophenols were transferred in triphasic system from a feed phase with pH 2, through a chloroform liquid membrane, into a receiving phase with pH 12, with efficiencies over 90%.     

Bulk moduli and high-pressure phases of the uranium rocksalt structure compounds: II. The monopnictides

Abstract

The high-pressure crystal structures of the compounds UX, where X = N, P, As and Sb, have been studied using X-ray diffraction in the pressure range up to about 60 GPa Rhornbohedral distortions are observed for UN and Up above 29 GPa and lO GPa, respectively. In Up a further transformation to an orthorhombic phase occurs at 28 GPa. UAs and USb transform to the CsCl structure at 20 GPa and 9 GPa, respectively. The latter transformations show a considerable hysteresis when the pressure is released. The scaling behaviour of the bulk modulus has been studied. It is confirmed that a log-log plot of bulk modulus versus specific volume for the cubic phases gives a straight line with a slope near ? 5/3.     

Far-infrared optical properties of YVO4 single crystal

Near-normal incident infrared reflectivity spectra of a (001) YVO₄ single crystal have been measured at different temperatures in the frequency region between 100 and 6000 cm^-1. The reflectivity spectra are analyzed with the factorized form of the dielectric function, and the dielectric properties and optical conductivity of the YVO₄ crystal are obtained. From the TO/LO splitting, effective charges at different temperatures are calculated to study the ionicity of YVO₄. The internal modes of the VO₄^3- ion and the external modes of the Y(VO₄) lattice are compared with SiO₄^4- in zircon and with other rare-earth vanadates.     

Nonlocal potential and optical properties of solids

Summary The theory of the RPA optical response of a solid has been generalized in order to take into account also the possible presence of spatially nonlocal potentials in the Hamiltonian. Explicit expressions for first- and second-order susceptibilities are given in the new framework. The expressions obtained depend on the matrix elements of operators of the form of a commutator of a component of the position operatorr and an operator that commutes with the lattice translations. The problem of the evaluation of these matrix elements is solved in a simple manner by introducing an auxiliary, periodic position operator,XXXr. In such a way a general formulation is obtained that preserves the gauge invariance. As an application of the new theory, the second harmonic generation (SHG) from a semiconductor in a simple two-band model has been studied. The differences between our correct gauge-invariant results and those obtained in the usual local approximation is an indication of a slow convergence of the expressions obtained in the local approximation.