Charge Density Wave States and Structural Transition in Layered Chalcogenide TaSe_(2-x)Te_x

The structural features and three-dimensional nature of the charge density wave （CDW） state of the layered chalcogenide 1T-TaSe2-xTex （0≤x≤2.0） are characterized by Cs-corrected transmission electron microscopy measurements. Notable changes of both average structure and the CDW state arising from Te substitution for Se are clearly demonstrated in samples with x〉0.3. The commensurate CDW state characterized by the known star-of-David clustering in the 1T-TaSe2 crystal becomes visibly unstable with Te substitution and vanishes when x=0.3. The 1T-TaSe2-xTex （0.3≤x≤1.3） samples generally adopt a remarkable incommensurate CDW state with monoclinic distortion, which could be fundamentally in correlation with the strong qq-dependent electron-phonon coupling-induced period-lattice-distortion as identified in TaTe22. Systematic analysis demonstrates that the occurrence of superconductivity is related to the suppression of the commensurate CDW phase and the presence of discommensuration is an evident structural feature observed in the superconducting samples.

Effect of Crystallinity of Fullerene Derivatives on Doping Density in the Organic Bulk Heterojunction Layer in Polymer Solar Cells

Polymer solar cells （PSCs） based on poly（3-hexylthiophene） （P3HT） and [6,6]-phenyl-C61-butyric acid methyl ester （PCBM） are fabricated by using 1,8-diiodooctane （DIO） as a solvent additive to control the doping density of the PSCs. It is shown that the processing of DIO does not change the doping density of the P3HT phase, while it causes a dramatic reduction of the doping density of the PCBM phase, which decreases the doping density of the whole blend layer from 3.7 × 10^16 cm-3 to 1.2 ×10^16 cm-3. The reduction of the doping density in the PCBM phase originates from the increasing crystallinity of PCBM with DIO addition, and it leads to a decreasing doping density in the blend film and improves the short circuit current of the PSCs.

A Study on Improvement of RANS Analysis for Erosion of Density Stratified Layer of Multicomponent Gas by Buoyant Jet in a Containment Vessel

The analysis on a density stratification layer consisting of multiple gases in the reactor containment vessel is important for the safety assessment of sever accidents. The JAEA （Japan Atomic Energy Agency） has started the project on the containment thermal hydraulics. We carried out CFD （computational fluid dynamics） analyses in order to investigate the erosion of the density stratification layer by a vertical buoyant jet under this project. We used the RANS （Reynolds averaged numerical simulation） and LES （large eddy simulation） models to analyze the erosion of a density stratification layer by a vertical buoyant jet in a small vessel which represents a containment vessel. This numerical study calculates the turbulent mixing of a two-component （air and helium） gas mixture. The turbulence models used for the RANS analyses are two types of k-ε models. The first model is the low Reynolds number k-ε model developed by Launder and Sharma. The second model is modified from the first model in order to accurately consider the turbulent production and damping in a stratification layer. The results indicated while the erosion rate calculated by the low-Re k-ε model was much faster than that of the LES model, the modified k-ε model could calculate the erosion rate similar to the LES result.

INVESTIGATION OF DOMINANT FREQUENCIES IN TRANSITION REYNOLDS NUMBER RANGE OF FLOW AROUND A CIRCULAR CYLINDER PARTⅡ: THEORETICAL DETERMINATION OF THE RELATIONSHIP BETWEEN VORTEX SHEDDING AND TRANSITION FREQUENCIES AT DIFFERENT REYNOLDS NUMBERS

An attempt has been made to explore whether the power relation can be obtained from theoretical considerations. The classical laminar and turbulent boundary layer concepts have been employed to determine appropriate values of the scaling lengths associated with vortex shedding and shear layer frequencies to predict the power law relationship with Reynolds number. The predicted results are in good agreement with experimental results. The findings will provide a greater insight into the overall phenomenon involved.

Efficient Technique of Rapeseed and Morchella spp.Interplanting in Mountainous Areas

Aiming at the climatic characteristics of more rain and high humidity and cultivation habits of rapeseed in Tongren area,in terms of rapeseed and Morchella spp.interplanting,excellent varieties suitable for the local climate were selected,the formulas of culture substrate and nutrition bag were optimized to produce high-quality strains,soil pests were prevented and controlled,rapeseed was transplanted in time,Morchella spp.were sown in ditches,nutrition bags were placed simultaneously,thick soil was covered and fruiting ditches were left,and stress was arranged to promote growth of mycelia.The production cycle was 90-100 d.The yield of Morchella spp.reached 2250-3375 kg/ha,with a net profit of 6000-10000 yuan.

The effect of a layer of varying density on spatial correlation of sea-bottom backscattering signal

The research is about the effect of a layer of varying density of sea-bottom sediments on spatial correlation of sea-bottom backscattering. The relationship between scattering cross section and spatial correlation is that backscattering cross section decreases quickly and the spatial correlation becomes stronger as the incident angle increases. Therefore, the density- depth profile is introduced into sea-bottom high-frequency backscattering echo model, which is used to simulate sea-bottom backscattering and calculate the function of spatial correlation. The influence of the density gradient on spatial correlation of sea-bottom backscattering is investigated by analyzing the relations between vertical gradient of density and the scattering cross section. As can be seen from the simulation results, the impact of the density gradient on the spatial correlation is found more significant. While the density gradient increases, the scattering cross-section and the radius of the spatial correlation broaden, the spatial correlation becomes stronger. At the same time, the scattering cross-section decreases more quickly as the incident angle increases.

Density functional theory study on the influence of cation ratio on the host layer structure of Zn/Al double hydroxides

A density functional theory （DFT） study has been carried out for [Zn-1AI（OH2）n＋6（OH）2n-2]^3＋ （n=3-6） and [Znn-1AI（OH2）2n-2（OH）2n-2]^3＋ （n = 7） clusters, which include the basic structural information of the brucite-like lattice structure of Zn/Al layered double hydroxides （LDHs） with Zn/AI molar ratio （R） in the range 2-6, in order to understand the effect of the Zn/Al ratio on the structure and stability of binary Zn/Al LDHs. Based on systematic calculations of the geometric parameters and formation energies of the cluster models, it was found that it is possible for Zn^2＋ and Al^3＋ cations to replace Mg^2＋ isomorphously in the brucite-like structure with different R values, resulting in differences in microstructure of the clusters and unit cell parameter a of the Zn/Al LDHs. Analysis of the geometry and bonding around the trivalent Al^3＋ or divalent Zn^2＋ cations reveals that Al^3＋ plays a more significant role than Zn^2＋ in determining the microstructure properties, formation and bonding stability of the corresponding ZnRAl clusters when R〈5, while the influence of Zn^2＋ becomes the dominant factor in the case of R〉 5. These findings are in good agreement with experiments. This work provides a detailed electronic-level understanding of how the composition of cations affects the microstructure and stability of Zn-containing binary LDH layers.

Fabrication of Zn-Ti layered double hydroxide by varying cationic ratio of Ti^(4+) and its application as UV absorbent

ZnTi-layered double hydroxides（LDHs） with varying Zn/Ti ratio have been synthesized by coprecipitation of zinc and titanium salts from homogeneous solution.The obtained ZnTi-LDHs possess high crystallinity and hierarchical structure with improved UV-absorbance property.The UV-vis spectra show that the UV absorbing properties of ZnTi-LDHs is stronger and broader than both MgAl-LDH and ZnAl-LDH due to the existence of Ti.Moreover,the UV absorption property increased with the content of Ti,which can be ascribed to the decrease in the band gap energy,as clearly confirmed by density functional theory calculations.When irradiated by UV rays,the property of the samples with generated free radicals（OH^·and O2^·） was evaluated by means of electron spin resonance（EPR）.ZnTi-LDHs generated a relatively lower active radicals in contrast with TiO2 and ZnO,which implied an increased safety used as sunscreens.Therefore,this work provides a detailed understanding of UV shielding properties of ZnTiLDHs which was unrevealed previously,and demonstrates the expansive application prospects of ZnTiLDHs in the field of sunscreens.