Chong F.,Xuzhou Institute of Technology
Journal of Thermal Spray Technology | Year: 2013
Structure of 1-mm tungsten (W) coating on copper (Cu) with the different compliant layers was designed and optimized by means of ANSYS code. Three materials of titanium, nickel-chromium-aluminum alloys, and W/Cu mixtures with a thickness of 0.5 mm were selected as the compliant layers to evaluate their effects on the interface stress between W and Cu, strain, and the surface temperature under the heat load of 5 MW/m2. Application of the compliant layers can obviously alleviate the interface stress concentration compared to the sharp interface. The maximum stress reduction of about 25% was obtained from the W/Cu-compliant layer; however, the surface temperature was increased only by 12 C. Further investigation on the W/Cu-compliant layer revealed that 0.1-0.2-mm 20-35 vol.% W was the optimum structure for 1-mm W coating, which resulted in the smallest peak stress of 299 MPa and the equivalent plastic strain of 0.01%. © 2012 ASM International.
Feng C.,Xuzhou Institute of Technology
Acta Chimica Sinica | Year: 2012
The DFT-B3LYP method, with the basis set 6-31G, was employed to calculate the molecular geometries and electronic structures of 24 3-substituted sulfur-5-(2-hydroxyphenyl)-4H-1, 2, 4-triazole compounds. EHOMO, ELUMO, ENHOMO, ENLUMO, QC1~QC8, Qn1~Qn3, QO, QS, ΔE1, ΔE2, ΣQ were selected as quantum chemical descriptors (qc). The quantitative structure-activity relationships (QSAR) were established by using leaps-and-bounds regression analysis for the antibacterial activities (AJ: Am, Ae and As) of 13 compounds to Escherichia coli, Monilia albican and Staphylococcus aureus along with the qc. The correlation coefficients (R2) and the leave-one-out (LOO) cross validation Rcv 2 for the Ae, Am and As models were 0.930 and 0.871; 0.926 and 0.869; 0.781 and 0.572 respectively. The QSAR models have both favorable estimation stability and good prediction capability by Radj 2, F, Rcv 2, VIF, AIC, FIT tests. The results indicate that the ΔE1 and ΣQ are main factors which can affect the bioactivities of these compounds directly. The antibacterial activities of the compounds increase with the increase of the ΣQ; however the higher the ΔE1 is, the lower the AJ is. The possible mechanism has been given for the antibacterial of the triazole compounds. It is known that the suitable structural modifications of R group in triazole compounds with the strong electron- attracting one are beneficial to the antibacterial activities. According to the results (11 compounds) obtained from the structural modifications, the antibacterial activities of four modified molecules are over 100% when mass fraction is 0.01%, and it is expected to be confirmed by using biologic experiments.
Pan Y.-W.,Xuzhou Institute of Technology
Faguang Xuebao/Chinese Journal of Luminescence | Year: 2013
Two kinds of tetrapod-like zinc oxide nanostructures were fabricated using chemical vapor deposition method under argon and oxygen mixed ambient condition. The source materials were pure zinc powders. No catalyst was used during reaction. X-ray diffraction, scanning electron microscopy, transmission electron microscopy and photoluminescence spectroscopy techniques were used to characterize their structures and optical properties. The nano productions are high purity zinc oxide with the wurtzite structure. Two kinds of zinc oxide nano productions possess three-dimensional structures, which are tetrapod-flake structure and tetrapod-wire structure, respectively. The nano productions have large length-diameter ratio and show a typical nano/micro-structure. By comparing the ultra-violet emission peak and visible emission band of the two zinc oxide nanostructures, the origin of the visible emission and the influence of their structures on optical emission properties are discussed.
Qu T.Y.,Xuzhou Institute of Technology
Advanced Materials Research | Year: 2014
The primary method of power system fault diagnosis is that the fault section estimation is demonstrated a 0-1 programming model according to the acting theory of protective relays. This paper proposed a kind improved artificial fish -swarm algorithm: binary artificial fish -swarm algorithm(BAFA) for this kind of problem. Forward speed of optimal direction between swarm-behavior and follow-behavior is analyzed and a comparative analysis is made with genetic algorithm(GA) on this basis. Results indicate that follow-behavior is superior to swarm-behavior on forward speed of optimal direction and BAFA is superior to GA on the comprehensive performance. Meanwhile, it is shown that BAFA has the fast convergence speed and better optimization ability. © (2014) Trans Tech Publications, Switzerland.
Du X.,Xuzhou Institute of Technology
Huagong Xuebao/CIESC Journal | Year: 2014
Based on the structure characteristics of bromine substituents and conjugated matrix, a new path location index mP is defined. The electrotopological state indices (E9) and electronegativity distance vector (M26) of 209 polybrominated diphenyl ethers (PBDEs) are calculated. It shows that mP, E9 and M26 have good structural selectivity for organic pollutant. Then, the multiple regression method is used to establish relationships between the molecular structure of PBDEs and four parameters: gas-chromatographic relative retention time (tR), n-octanol pair partition coefficient (lgKOA), supercooled liquid vapour pressures (lgPL) and toxicity (lgI). With the four predictive models, the correlation coefficients are 0.991, 0.997, 0.998 and 0.904 with the standard deviation of 0.031, 0.104, 0.100 and 0.358, respectively. Three structural parameters are used as the input neurons of the BP neural network and different network architectures to get several satisfying neural network models for predicting tR, lgKOA, and lgPL. The results are better than those by the multiple regression method, which shows significant nonlinear relationships between the physicochemical properties of PBDEs and the three structural parameters. © All Rights Reserved.