High-rate capability of carbon-coated micron-sized hexagonal TT-Nb2O5 composites for lithium-ion battery

With excellent specific capacity, superior cycle stability, safety and strong practical, Nb₂O₅ has been considered as one of the prospective anode materials for lithium-ion batteries (LIBs). However, current study suggests that Nb₂O₅ electrode materials for LIBs still face the vital issues of low electrical conductivity and poor rate performance. Therefore, carbon-coated TT-Nb₂O₅ materials are designed and synthesized through solid state method in this work, which present high specific capacity (228 mA h g^?1 at 0.2C), satisfactory rate properties (107 mA h g^?1 at 20 C). The outstanding electrochemical property can not only give the credit to the pseudocapacitance effect of TT-Nb₂O₅, but also attribute to introduction of carbon. The homogeneous carbon-coated materials enhance the electrical conductivity, increase the electron transmission speed and alleviate particle crushing. This research not only offers a new method for preparing excellent electrode materials, but also provides a kind of excellent anode material with prospective application for LIBs.     

Theoretical kinetic study of the reaction between dimethyl disulfide and OH radicals

The potential energy profile of the reaction between dimethyl disulfide and OH^? radicals is explored by utilizing ab initio and hybrid meta density functional theory methods. Having the energies and structural data of the stationary points, statistical rate theories, such as transition state theory and variable reaction coordinate-transition state theory, are employed to compute the overall rate constants, and discuss the mechanism and product channels. On the basis of the calculations, the overall rate coefficient is predicted to be 2.49?×?10^?10?cm³?molecule^?1?s^?1 at 298?K. It is found that in the most favorable pathway, the reaction proceeds via formation of the relatively unstable intermediate CH₃S^?(OH)SCH₃ decomposing rapidly to yield CH₃S^?+CH₃SOH.     

Improved Input and State Estimation for Linear Stochastic Systems with Direct Feedthrough

This paper is concerned with the problem of joint input and state estimation for linear stochastic systems with direct feedthrough. Based on the fact that each unknown input between any two time steps is always bounded, a novel improved algorithm is proposed. Compared with existing results, this algorithm can effectively enhance estimation accuracy. Moreover, the stability of the algorithm is also discussed. Finally, an illustrative example is given to demonstrate the effectiveness of the proposed approach.     

Ab initio calculations of the NO2 fission for CL-20 conformers

NO₂ fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO₂ fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO₂ fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy.     

Covalent triazine framework with efficient photocatalytic activity in aqueous and solid media

Covalent triazine frameworks (CTFs) have been recently employed for visible light-driven photocatalysis due to their unique optical and electronic properties. However, the usually highly hydrophobic nature of CTFs, which originates from their overall aromatic backbone, leads to limitations of CTFs for applications in aqueous media. In this study, we aim to extend the range of the application media of CTFs and design hybrid material of a CTF and mesoporous silica (SBA-15) for efficient photocatalysis in aqueous medium. A thiophene-containing CTF was directly synthesized in mesopores of SBA-15. Due to the high surface area and the added hydrophilic properties by silica, the hybrid material demonstrated excellent adsorption of organic molecules in water. This leads not only to high photocatalytic performance of the hybrid material for the degradation of organic dyes in water, but also for efficient photocatalysis in solvent-free and solid state. Furthermore, the reusability, stability and easy recovery of the hybrid material offers promising metal-free heterogeneous photocatalyst for broader applications in different reaction media.     

Research on the identification performance of UHF RFID system considering the correlation of cascaded channel

The identification rate of UHF RFID system was restricted by multipath propagation effects.The system identification performance was studied considering the correlation coefficient between forward and reverse channels.Based on the generalized Rician fading channel model,the analytical expression of identification rate was derived under independent,full correlation and correlation cases.Compared with the existing analysis,the proposed uniform calculation formula of identification rate was for any correlation coefficient and kinds of channel conditions.The numerical computation and Monte-carlo simulations show that the influences of different correlation coefficients,channel conditions,sensitivity and distance on the identification rate.     

A high performance crashworthiness simulation system based on GPU

Crashworthiness simulation system is one of the key computer-aided engineering (CAE) tools for the automobile industry and implies two potential conflicting requirements: accuracy and efficiency. A parallel crashworthiness simulation system based on graphics processing unit (GPU) architecture and the explicit finite element (FE) method is developed in this work. Implementation details with compute unified device architecture (CUDA) are considered. The entire parallel simulation system involves a parallel hierarchy-territory contact-searching algorithm (HITA) and a parallel penalty contact force calculation algorithm. Three basic GPU-based parallel strategies are suggested to meet the natural parallelism of the explicit FE algorithm. Two free GPU-based numerical calculation libraries, cuBLAS and Thrust, are introduced to decrease the difficulty of programming. Furthermore, a mixed array and a thread map to element strategy are proposed to improve the performance of the test pairs searching. The outer loop of the nested loop through the mixed array is unrolled to realize parallel searching. An efficient storage strategy based on data sorting is presented to realize data transfer between different hierarchies with coalesced access during the contact pairs searching. A thread map to element pattern is implemented to calculate the penetrations and the penetration forces; a double float atomic operation is used to scatter contact forces. The simulation results of the three different models based on the Intel Core i7-930 and the NVIDIA GeForce GTX 580 demonstrate the precision and efficiency of this developed parallel crashworthiness simulation system.     

Extending SSD Lifespan with Comprehensive Non-Volatile Memory-Based Write Buffers

Journal of Computer Science and Technology - New non-volatile memory (NVM) technologies are expected to replace main memory DRAM (dynamic random access memory) in the near future. NAND flash...     

继电保护中多路模拟量采集系统的设计

介绍了一种基于高性能浮点DSP芯片TMS320C32、CPLD芯片XC95288和A/D采样芯片AD976组成的多路采集系统的工作原理以及设计方法。通过对第一路施加特殊的电压量,在CCS开发环境下读取采样缓冲区的值,并利用Matlab对采样数据进行了全波傅氏变换。此外,该系统已在继电保护中得到广泛应用,实践表明,该系统能较好地解决多路模拟量的采集,并确保了采样数据的安全可靠性。