水热法制备表面修饰的钛酸锶纳米微粉

以工业原料和常用试剂TiCl4、Sr(NO3)2和KOH为基础原料,通过添加表面活性剂十二烷基苯磺酸(DBS),采用水热法制备出表面包裹有DBS的钛酸锶纳米微粉,并应用红外光谱,X射线衍射谱,透射电子显微镜,热分析等一系列手段对其微结构进行了表征.结果表明:样品为表面包裹有DBS的钛酸锶纳米微粉,其形状较为规则,粒度分布较窄,单分散性较好.粒子的平均粒径为120nm,包裹膜的平均厚度为6nm左右.根据X光谱测量,表面修饰后的钛酸锶纳米微粉均以立方相存在.一般体相钛酸锶微粉为极性粉体.而表面修饰后的钛酸锶纳米微粉能够较为稳定地悬浮于非极性液体如正己烷中,说明SrTiO3粉体的极性表面被DBS包裹后,变为非极性.     

Torsional vibrations of a column of fine-grained material: A gradient elastic approach

The gradient theory of elasticity with damping is successfully employed to explain the experimentally observed shift in resonance frequencies during forced harmonic torsional vibration tests of columns made of fine-grained material from their theoretically computed values on the basis of the classical theory of elasticity with damping. To this end, the governing equation of torsional vibrations of a column with circular cross-section is derived both by the lattice theory and the continuum gradient elasticity theory with damping, with consideration of micro-stiffness and micro-inertia effects. Both cases of a column with two rotating masses attached at its top and bottom, and of a column fixed at its base carrying a rotating mass at its free top, are considered. The presence of both micro-stiffness and micro-inertia effects helps to explain the observed natural frequency shift to the left or to the right of the classical values depending on the nature of interparticle forces (repulsive or attractive) due to particle charge. A method for using resonance column tests to determine not only the shear modulus but also the micro-stiffness and micro-inertia coefficients of gradient elasticity for fine-grained materials is proposed.     

Photocatalytic performance of yttrium-doped CNT-ZnO nanoflowers synthesized from hydrothermal method

We synthesized yttrium-doped CNT-ZnO (CNT-YZO) nanoparticles (NPs) and nanoflowers (NFs) from the hydrothermal method at 130 °C. The effect of Y³⁺-concentrations in nanostructured CNT-YZO was determined in terms of the photocatalytic degradation of methylene blue (MB). Microstructural analysis showed the hexagonal cubic structure of ZnO regardless of Y-concentration or the addition of CNTs during the nucleation and growth. The specific surface area, total pore volume, and mean pore diameter of typical CNT-YZO NFs were observed to be 36.109 m²/g, 0.162 cm³/g, and 17.932 nm, respectively. The photocatalytic degradation performance of CNT-YZO NFs improved due to increase reactive sites of the catalyst and reduced recombination of photo-induced carriers. The surface-area normalized first-order decomposition rates (r/m²) of CNT-YZO NFs showed the highest photocatalytic degradation (99%). The CNT-YZO has produced a new kind of material for the photocatalytic degradation under the irradiation of visible light using a solar simulator.     

Molecular dynamics simulation of nano-scale interfacial friction characteristic for different tribopair systems

3D non-equilibrium molecular dynamics (NEMD) simulations using embedded atom potentials method (EAM) are performed to identify the dynamics processes of atomic-scale interfacial friction taking places in metal tribopairs. A block-block sliding simulation model for soft-to-hard (Cu/Fe) and soft-to-soft (Cu/Ag) tribopairs with is built. The microstructural evolution and temperature variation of the two tribopairs are analyzed at different sliding speeds. The results show that the average temperature of the two different tribopairs both increases rapidly during the transient sliding period. The different microstructural changes for the two tribopairs, including extensive plastic deformation, mechanical mixing and material transfer are observed when the temperature rapidly increases. The characteristics of the friction effects for the two tribopairs are also revealed by analyzing the friction force evolution as a function of time and velocity.     

Effects of heat treatment on electrical conductivity of HDPE/CB composites

The influence of heat treatment on the electrical conductive behavior of carbon black (CB) filled high density polyethylene (HDPE) composites was investigated. The results showed that the effects of annealing temperature on the resistivity and the PTC intensity of the HDPE/CB composites were significant; the resistivity and the PTC intensity of the composites varied with increasing number of thermal cycles; while the variation became small after the third thermal cycle. Furthermore, the variation of the resistivity was 1.7 times higher than that of the composites without annealing, and the variation of the PTC intensity of the composites was 0.22, which were smaller than those of the specimens without heat treatment. A suitable annealing heat treatment could reduce the resistivity and enhance the PTC intensity of the composites; it was also helpful to improve the stability of the properties of the composites and the repeatability of the PTC effect.     

嵌入纳米Fe颗粒的Fe液凝固过程的分子动力学模拟

采用Sutton-Chen 势函数及分子动力学(MD)方法对嵌入了Fe纳米团簇(半径从0.4-1.8 nm)的Fe液凝固过程进行了模拟. 模拟结果表明只有当嵌入的纳米团簇半径超过0.82 nm才能降低凝固时所需要的临界过冷度(ΔT^*), 起到诱导凝固的作用. 同时采用原子键型指数法(CTIM-2)对样本在凝固过程中的原子结构进行了标定, 通过观察微观结构演变发现当嵌入纳米团簇能够作为凝固核心时, 体系按照hcp-fcc 交叉形核的方式长大. 同时还发现嵌入纳米团簇对体系凝固过程晶核的生长方向及凝固的最终构型存在“结构遗传效应”.     

Microstructural Characterization of Diblock Copolymers Formed by Styrene and Different Methacrylic Units

FT-IR, DSC, and NMR techniques allowed the structural characterization of four copolymers formed by styrene and methacrylic units (methacrylic acid (MAA), dimethylamine ethyl methacrylate (DMAEMA), sodium methacrylate (MANa), and 1-hydroxyethyl methacrylate (HEMA). The copolymer composition was studied by Fourier transform-infrared spectroscopy (FT-IR) and nuclear magnetic resonance (NMR) spectroscopy. The thermal behavior of the block copolymers was analyzed by differential scanning calorimetry (DSC). Three of the four copolymers showed two transitions caused by changes in the polymer heat capacity (ΔCp) of each block. Diffusion-ordered spectroscopy (DOSY) experiments were used to distinguish copolymer from homopolymer mixtures. Finally, the triad-level stereosequences of styrene-methacrylic copolymers were obtained using ¹³C NMR. The results indicate that by increasing the alkyl-substituent length in the methacrylic block, the probability of syndiotactic polymerization increases.     

Electrochemical Sensitive Determination of Nanomolar Guanine from ZnO Nanorods Coated on Platinum Electrode

The crystalline ZnO nanorods, grown on Si‐substrate (100) at a low temperature using a hydrothermal process were used for modification of platinum electrode using PVC and THF for in order to test their chemosensor activity. The modified electrode can be used for selective nanomolar determination of guanine in aqueous media without any interference from other biomolecules. The prepared chemosensor has a lower detection limit of 40 nM for guanine, and a modification of the electrodes with ZnO nanorods increases the reproducibility by reducing the fouling effect caused by the oxidation of biomolecules on the electrode surface as the prepared electrode can be used for more than 30 consecutive scans and can be used for 5 days without any change in current intensity or sensitivity.     

3D reconstruction of grains in polycrystalline materials using a tessellation model with curved grain boundaries

A compact and tractable representation of the grain structure of a material is an extremely valuable tool when carrying out an empirical analysis of the material’s microstructure. Tessellations have proven to be very good choices for such representations. Most widely used tessellation models have convex cells with planar boundaries. Recently, however, a new tessellation model — called the generalised balanced power diagram (GBPD) — has been developed that is very flexible and can incorporate features such as curved boundaries and non-convexity of cells. In order to use a GBPD to describe the grain structure observed in empirical image data, the parameters of the model must be chosen appropriately. This typically involves solving a difficult optimisation problem. In this paper, we describe a method for fitting GBPDs to tomographic image data. This method uses simulated annealing to solve a suitably chosen optimisation problem. We then apply this method to both artificial data and experimental 3D electron backscatter diffraction (3D EBSD) data obtained in order to study the properties of fine-grained materials with superplastic behaviour. The 3D EBSD data required new alignment and segmentation procedures, which we also briefly describe. Our numerical experiments demonstrate the effectiveness of the simulated annealing approach (compared to heuristic fitting methods) and show that GBPDs are able to describe the structures of polycrystalline materials very well.     

Fictitious Notch Rounding approach of pointed V-notch under in-plane shear

The Fictitious Notch Rounding approach (FNR) is applied here for the first time to V-shaped notches under in-plane shear loading. The fictitious radius is evaluated for different opening angles as a function of the Microstructural Characteristic Length (MCL), the actual radius and the failure hypothesis. A multiaxiality factor is introduced and found to be very sensitive to the opening angle. Under mode II loading, the problem is more complex than under mode I and mode III, mainly because the maximum elastic stress is outside the notch bisector line. The main problem is the choice of the expected crack initiation angle, which defines the direction where the relevant stress has to be integrated. This integration carried out over the MCL gives the effective stress value for the pointed V-notch. To this end, two different criteria are used, the Maximum Tangential Stress (MTS) criterion and the Minimum Strain Energy Density criterion (MSED). A large number of finite element analyses have been carried out to determine the multiaxiality factor. This factor has been evaluated by comparing the theoretical stress concentration factor (SCF) obtained from fictitiously rounded notches to the effective stress concentration factor obtained by integrating the relevant stress over the Microstructural Characteristic Length.