Defect-related relaxation processes in irradiated rare gas solids

Electronic and atomic relaxation processes in preirradiated solid Ar doped with N 2 were studied with a focus on the role of radiative electronic transitions in relaxation cascades. Combining methods of activation spectroscopy - thermally stimulated and photon-stimulated exoelectron emission, a new channel of relaxation induced by photon emission from metastable N atoms was detected. It was shown that in insulating materials with a wide conduction band photons of visible range can release electrons from both kinds of traps - shallow (lattice defects) and deep thermally disconnected ones. Correlation in the charge recombination reaction yield and the yield of low temperature desorption - important relaxation channel in a preirradiated solid - clearly demonstrates interconnection between atomic and electronic processes of relaxation.     

Behavior of metal complexes of polyacrylic acid in solutions

Metal complexes of polyacrylic acid containing Li, Li, and Cu, or Li and Zn have been studied in saline aqueous solutions using molecular hydrodynamics and light scattering methods. Intrinsic viscosities, weight-average molar masses, hydrodynamic radii, and radii of gyration were obtained. It was shown that the macromolecules of polymetalloacrylates containing divalent metals form small and large supramolecular structures, their dimensions, and composition being dependent on the ionic strength of the solution.     

Targeted Construction of Amorphous MoSx with an Inherent Chain Molecular Structure for Improved Pseudocapacitive Lithium-Ion Response

Owing to low ion/electron conductivity and large volume change, transitional metal dichalcogenides (TMDs) suffer from inferior cycle stability and rate capability when used as the anode of lithium-ion batteries (LIBs). To overcome these disadvantages, amorphous molybdenum sulfide (MoS_x) nanospheres were prepared and coated with an ultrathin carbon layer through a simple one-pot reaction. Combining X-ray photoelectron spectroscopy (XPS) with theoretical calculations, MoS_x was confirmed as having a special chain molecular structure with two forms of S bonding (S²⁻ and S₂²⁻), the optimal adsorption sites of Li⁺ were located at S₂²⁻. As a result, the MoS_x electrode exhibits superior cycle and rate capacities compared with crystalline 2H-MoS₂ (e.g., delivering a high capacity of 612.4 mAh g⁻¹ after 500 cycles at 1 A g⁻¹). This is mainly attributed to more exposed active S₂²⁻ sites for Li storage, more Li⁺ transfer pathways for improved ion conductivity, and suppressed electrode structure pulverization of MoS_x derived from the inherent chain-like molecular structure. Quantitative charge storage analysis further demonstrates the improved pseudocapacitive contribution of amorphous MoS_x induced by fast reaction kinetics. Moreover, the morphology contrast after cycling demonstrates the dispersion of active materials is more uniform for MoS_x than 2H-MoS₂, suggesting the MoS_x can well accommodate the volume stress of the electrode during discharging. Through regulating the molecular structure, this work provides an effective targeted strategy to overcome the intrinsic issues of TMDs for high-performance LIBs.     

Hidden Markov models revealing the stress field underlying the earthquake generation

The application of the hidden Markov models (HMMs) is attempted for revealing key features for the earthquake generation which are not accessible to direct observation. Considering that the states of the HMM correspond to levels of the stress field, our objective is to identify these states. The observations are considered after grouping earthquake magnitudes and the cases of different number of states are examined. The problems of HMMs theory are solved and the ensuing HMMs are compared on the basis of Akaike and Bayesian information criteria. A new insight on the evaluation of future seismic hazard is given by calculating the mean number of steps for the first visit to a particular state, along with the respective variance. We further calculate an estimator of the mean number of steps for the first visit to a particular state and we construct its confidence interval. Additionally, a second approach to the problem is followed by assuming a different determination of observations. The HMMs applied to both approaches, contribute significantly to seismic hazard assessment via revealing the number of the stress levels as well as the way in which these levels are associated with certain earthquake occurrence.     

复杂换热网络MINLP中的非线性特性分析

针对复杂换热网络MINLP问题,本文应用多维函数渐变法探索和分析了连续变量和整型变量引起的网络性能非线性和非凸特性。研究表明,当系统规模增大时,不但连续变量的叠加效应将增加系统的非线性,整型变量将使得非线性特性更为严重。     

On the exciton profile in OLEDs-seamless optical and electrical modeling

We present a comprehensive model to simulate organic light-emitting devices (OLEDs) that includes a seamless coupling of charges, excitons and photons. The comprehensive model accounts for the position dependent exciton lifetime due to the optical environment in the multilayer OLED structures. We first study the effect of different charge mobilities and quantum efficiencies of the light-emitting material on the exciton profiles. Moreover, we discuss the extension of an optical model to account for the exciton dynamics. This comprehensive optical model is validated and justified on the basis of consistency checks. Namely, we show that our comprehensive optical model can take the cavity effects as seen in simulation results of the comprehensive electrical model into account. The advantage of the comprehensive optical model is a quick and accurate insight into the exciton physics if applied together with a nonlinear least square (NLSQ) fitting method. Finally, we apply the comprehensive optical model with the NLSQ-method in order to extract the exciton profiles from emission spectra of a blue light-emitting polymer diode (PLED) measured at different current levels.     

Mechanochemical synthesis of PbS/Ni–Cr layered double hydroxide nanocomposite

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多孔活性自燃金属的光谱辐射特性研究

多孔活性金属材料因为内部存在大量的孔隙，大大地增加了与空气的接触面积，使得其在空气中的燃烧较为猛烈，燃烧温度迅速上升。其燃烧过程属于固体燃烧的范畴，较为复杂。以镁为例，通过建立燃烧模型，来研究多孔活性金属的光谱辐射特性。首先，建立氧气总消耗量与活性金属剩余质量的关系，研究氧气在活性金属孔隙内的扩散浓度关系，通过求解活性金属热平衡方程得到活性金属燃烧过程中温度与时间的关系式，进而得到活性金属的峰值光谱辐射强度表达式；然后，将模型计算的仿真结果与红外热像仪测得的实验结果对比，结果表明，模型的计算结果与实验结果相一致，误差在了10%以内；最后，通过建立的燃烧模型来研究活性金属燃烧规律以及其光谱辐射特性，解决了高空、高速下的活性金属光谱辐射强度难以实验获得的问题，大大减小了实验成本与时间。分别对比不同时间活性金属箔片在1～3，3～5以及8～12 μm波段下的辐射强度，得出活性金属燃烧时的辐射强度主要集中在3～5 μm波段的结论。研究结果表明：自燃金属最大燃烧温度随高度的增加逐渐下降，随气流速度的增加先增加后减小，在速度为30 m·s-1时，温度达到最大；自燃金属的光谱辐射强度在2～6 μm波段达到最大。该模型也可以用来研究其他活性金属的燃烧特性。     

A new characteristic approach for incompressible thermo‐flow in Cartesian and non‐Cartesian grids

A virtual‐characteristic approach is developed for thermo‐flow with finite‐volume methodology in which a multidimensional characteristic (MC) scheme is applied along with artificial compressibility. To obtain compatibility equations and pseudo‐characteristics, energy equation is taken into account in the MC scheme. With this inherent upwinding of convective fluxes, no artificial viscosity is required even at high Reynolds numbers. Another remarkable advantage of the MC scheme lies in its faster convergence rate with respect to the averaging scheme that is found to exhibit substantial delays in convergence. As benchmarks, forced and mixed convections in a cavity and in flow over cylinder and between parallel plates are examined for a wide range of Reynolds, Grashof, and Prandtl numbers. The MC and averaging schemes are applied for simulation purposes. Results show the better performance of the MC scheme in forced and mixed convections. Results confirm the robustness of the MC scheme in terms of accuracy and convergence. Copyright © 2015 John Wiley & Sons, Ltd.