Methods for enhancing the capacity of electrode materials in low-temperature lithium-ion batteries

Lithium-ion batteries(LIBs) have evolved into the mainstream power source of ene rgy sto rage equipment by reason of their advantages such as high energy density,high power,long cycle life and less pollution.With the expansion of their applications in deep-sea exploration,aerospace and military equipment,special working conditions have placed higher demands on the low-temperature performance of LIBs.However,at low temperatures,the severe polarization and inferior electrochemical activity of electrode materials cause the acute capacity fading upon cycling,which greatly hindered the further development of LIBs.In this review,we summarize the recent important progress of LIBs in low-temperature operations and introduce the key methods and the related action mechanisms for enhancing the capacity of the various cathode and anode materials.It aims to promote the development of high-performance electrode materials and broaden the application range of LIBs.     

Finite Difference Method for Reaction-Diffusion Equation with Nonlocal Boundary Conditions

In this paper, we present a numerical approach to a class of nonlinear reaction-diffusion equations with nonlocal Robin type boundary conditions by finite difference methods. A second-order accurate difference scheme is derived by the method of reduction of order. Moreover, we prove that the scheme is uniquely solvable and convergent with the convergence rate of order two in a discrete L2-norm. A simple numerical example is given to illustrate the efficiency of the proposed method.     

Identification of Pharmacophoric Fragments of DYRK1A Inhibitors Using Machine Learning Classification Models

Dual-specific tyrosine phosphorylation regulated kinase 1 (DYRK1A) has been regarded as a potential therapeutic target of neurodegenerative diseases, and considerable progress has been made in the discovery of DYRK1A inhibitors. Identification of pharmacophoric fragments provides valuable information for structure- and fragment-based design of potent and selective DYRK1A inhibitors. In this study, seven machine learning methods along with five molecular fingerprints were employed to develop qualitative classification models of DYRK1A inhibitors, which were evaluated by cross-validation, test set, and external validation set with four performance indicators of predictive classification accuracy (CA), the area under receiver operating characteristic (AUC), Matthews correlation coefficient (MCC), and balanced accuracy (BA). The PubChem fingerprint-support vector machine model (CA = 0.909, AUC = 0.933, MCC = 0.717, BA = 0.855) and PubChem fingerprint along with the artificial neural model (CA = 0.862, AUC = 0.911, MCC = 0.705, BA = 0.870) were considered as the optimal modes for training set and test set, respectively. A hybrid data balancing method SMOTETL, a combination of synthetic minority over-sampling technique (SMOTE) and Tomek link (TL) algorithms, was applied to explore the impact of balanced learning on the performance of models. Based on the frequency analysis and information gain, pharmacophoric fragments related to DYRK1A inhibition were also identified. All the results will provide theoretical supports and clues for the screening and design of novel DYRK1A inhibitors.     

应力对M-Z型InP/InGaAsP-EAM偏振

采用Agilent 81910A光子全参量测试仪,首次实验研究了InP/In1－xGaxAs1－yPy-MQW（Multiple-Quantum-Well,MQW）材料与衬底间因应力而产生的M-Z型光调制器的PDL影响以及由此引起的由差分群时延(Differential Group Delay,DGD)表征的偏振模色散(Polarization Mode Dispersion,PMD).研究结果表明,半导体MQW光调制器的PDL与DGD是一致的.因此在半导体光器件的制作过程中,应尽可能地减小衬底与波导芯层之间的因残存应力的存在造成对光器件的高速性能的不利影响.     

掺铥氟磷玻璃的结构、热学性质和光谱性质

制备了不同Al(PO3)3含量的掺铥系列氟磷玻璃,研究了其结构、热稳定性和光谱性质。随着Al(PO3)3含量的增加,该系列玻璃的密度降低,折射率增加,差热分析表明,转变温度、析晶起始温度、析晶峰温度和熔化温度增加。Al(PO3)3摩尔浓度在7%~9%时析晶稳定性最佳。采用归一化的拉曼光谱分析了材料的结构和声子状况,对于该系列氟磷玻璃,Al(PO3)3含量的增加不会影响声子能量,但使声子密度增大。测试了样品的吸收光谱,Tm3 的3H6→3F4在第三通信窗口的L波段有明显吸收。与在其它玻璃基质中相比,Tm3 的3F4能级对应能量偏高,3H4能级对应能量偏低,使得3H4→3F4跃迁波长较大,接近于增益迁移光纤放大器的放大波长。扎得奥菲而特(Judd-Ofelt)理论分析表明随着Al(PO3)3含量增加,离子强度参量Ω2增大,Ω6保持相对稳定,Tm3 的能级寿命降低。     

锥形透镜光纤聚焦特性研究

锥形透镜光纤(TLF)是实现光纤与平面光波光路(PLC)芯片高效耦合的核心元件。了解和掌握其聚焦特性是指导平面光波光路尾纤封装技术的关键。给出了表征锥形透镜光纤聚焦特性的两个参量出射光斑直径和远场发散角的理论分析模型,其误差小于1.14%;采用光束传播法数值模拟了锥形透镜光纤中的光波传输和模斑的演化,确定了锥形透镜光纤端面出射光斑的大小;优化锥形透镜光纤结构参量为:拉锥长度300μm,锥角0.733°,透镜曲率半径13.485μm;建立了基于数字摄像机的锥形透镜光纤出射光场测试系统,提出了物理光学反向推演法,计算出锥形透镜光纤聚焦光斑尺寸和远场发散角。理论与实验结果有着良好的一致:对于相同结构参量的锥形透镜光纤,实验反推法得到的出射光斑尺寸与理论值相比误差为3.15%,远场发散角误差为3.67%。     

Dielectron widths of the Gamma(1S,2S,3S) resonances

We determine the dielectron widths of the Gamma(1S), Gamma(2S), and Gamma(3S) resonances with better than 2% precision by integrating the cross section of e+e- -->Gamma over the e+e- center-of-mass energy. Using e+e- energy scans of the Gamma resonances at the Cornell Electron Storage Ring and measuring Gamma production with the CLEO detector, we find dielectron widths of 1.252+/-0.004(sigma(stat))+/-0.019(sigma(syst)) keV, 0.581+/-0.004+/-0.009 keV, and 0.413+/-0.004+/-0.006 keV for the Gamma(1S), Gamma(2S), and Gamma(3S), respectively.     

Scale dependence of branching in arterial and bronchial trees

Although models of branching in arterial and bronchial trees often predict a dependence of bifurcation parameters on the scale of the bifurcating vessels, direct verification of this dependence by comparison with data is uncommon. We compare measurements of bifurcation parameters of airways and arterial trees of different mammals as a function of scale to general features predicted by theoretical models based on minimization of pumping power and network volume. We find that the size dependence is more complex than existing theories based solely on energy and volume minimization explain, and suggest additional factors that may govern the branching at different scales.     

Accreting neutron stars as probes of dense matter physics

There are over 100 accreting neutron stars in our galaxy, in which matter (typically H/He) is tidally transferred from a secondary companion to the neutron star. Accretion of this matter perturbs the thermal structure of the interior away from that of an isolated cooling neutron star. In this paper. we review how this accretion induces reactions in the crust of the neutron star that keep the interior hot. If the accretion is intermittent, then the heated surface layers are directly observable when accretion stops. This heating also affects the unstable ignition of light elements in the neutron star envelope. Observations of the neutron star cooling following an accretion outburst can in principle constrain the thermal properties of the crust and core.     

First-principles study on the origin of optical transitions to be associated with F colour centers for PbWO4 crystals

The electronic structures of PbWO₄ crystals containing F type color centers with the lattice structure optimized are studied within the framework of the fully relativistic self-consistent Direc–Slater theory, using a numerically discrete variational (DV-Xα) method. The calculated results show that F and F⁺ centers have donor energy level in forbidden band. Their optical transition energy are 1.84 eV, 2.21 eV, respectively, which corresponds to the 680 nm, 550 nm absorption bands. It predicts that the 680 nm, 550 nm absorption bands originate form the F and F⁺ centers in PbWO₄ crystals.