高聚合度钨磷多金属氧酸盐的电化学性质和热稳定性

用循环伏安、热重及示差扫描量热法研究了高聚合度钨磷多金属氧酸盐的电化学性质和热稳定性,实验表明,标题化合物H16{[P4W14Na3（H2O）7O58]2[Na4（H2O）13]2[P4W14Na2（H2O）2O56]}·24H2O因其高聚合度而改变了单个阴离子的氧化还原性质,并且该化合物是一种热稳定性高的微孔材料。     

Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO6) cluster in TiO2:Cr and MgO:Cr systems

A theoretical method for studying the inter-relation between electronic and molecular structure has been proposed based on the complete energy matrices for a d³ configuration ion in a tetragonal ligand-field. By means of this method, the local structure for Cr³⁺ ion doped in oxides TiO₂ (anatase) and MgO has been determined. The calculated results indicate that the local structure of the (CrO₆)⁹⁻ cluster in TiO₂:Cr³⁺ and MgO:Cr³⁺ systems exists as a compressed distortion relative to the regular octahedron. Meanwhile, the dependence of the EPR zero-field splitting parameter D on the local structure parameter ΔR (ΔR=R₁−R₂) has been revealed. In addition, the relation between the EPR g-factors (g,g,Δg) and the orbit reduction factor k has been discussed for the two systems, suggesting that the orbit reduction factor k is very important to understand the EPR g-factors.     

利用Keating模型计算Si(1-χ)Geχ及非晶硅的拉曼频移

利用Keating模型计算了Si(1-χ)Geχ合金中Si-Si,Ge-Ge和Si-Ge三种振动模态的拉曼频移,计算分别获得Ge浓度为0.1,0.5和0.9时,Si-Ge的振动拉曼频移分别为402.75,413.39和388.15 cm-1,这些结果与文献的实验结果符合,证明了Keating模型建立的关于原子振动模型是有效的,并可以利用拉伸压缩和相邻原子键之间弹性系数变化获得处于应变状态的拉曼光谱频率.利用Keating模型首次计算得到了非晶硅材料的单声子散射峰为477.029 cm-1,与文献实验结果480.0 cm-1相近,说明了非晶硅中原子的总体效果与晶体硅相比处于拉伸状态.     

Temperature-electric field hysteresis loop of multicaloric effects in PbZr0.8Ti0.2O3 thin films

The Multicaloric effect in the PbZr_0.8Ti_0.2O₃ thin films is investigated with the application of sine wave electric field, dc electric field and stress using a phase field method combined with the thermodynamic analysis. The simulation results show that the adiabatic temperature change-electric field curve presents a shape of butterfly in the presence of the sine wave electric field. In order to detect the effect of the sine wave electric field, the multicaloric effect and the domain structures under the direct electric field and the sine wave electric field are compared. It is found that the domain switching behaviors are quite different under the different applied electric fields. And the negative multicaloric effect in the PbZr_0.8Ti_0.2O₃ thin film is attribute to the domain switching under the external field.     

Role of symmetry in the transport properties of graphene nanoribbons under bias

The intrinsic transport properties of zigzag graphene nanoribbons (ZGNRs) are investigated using first-principles calculations. It is found that although all ZGNRs have similar metallic band structure, they show distinctly different transport behaviors under bias voltages, depending on whether they are mirror symmetric with respect to the midplane between two edges. Asymmetric ZGNRs behave as conventional conductors with linear current-voltage dependence, while symmetric ZGNRs exhibit unexpected very small currents with the presence of a conductance gap around the Fermi level. This difference is revealed to arise from different coupling between the conducting subbands around the Fermi level, which is dependent on the symmetry of the systems.     

构造Birkhoff动力学函数的Santilli第二方法的简化

研究力学系统Birkhoff动力学函数的构造方法.Santilli第二方法是目前构造Birkhoff动力学函数时常用的方法之一,但研究发现其计算公式存在冗余项.通过具体的证明得到了简化的Santilli第二方法,从而为自伴随系统Birkhoff动力学函数的构造提供了更为简洁的计算公式.举例说明结果的应用.     

Mid-infrared supercontinuum generation in a four-hole As2S5 chalcogenide microstructured optical fiber

We demonstrate the supercontinuum (SC) generation in a four-hole As₂S₅ chalcogenide microstructured optical fiber (MOF) experimentally. The As₂S₅ glass has better property of transmission than As₂S₃ glass in the visible range. The four-hole As₂S₅ MOF is fabricated by a rod-in-tube method. The SCs generated by different pump wavelengths at 2,000, 2,300 and 2,500 nm in the MOF whose length is from 2.3 to 20 cm are demonstrated. Those pump wavelengths correspond to the chromatic dispersion wavelength in the normal chromatic dispersion region, the anomalous chromatic dispersion region close to zero-dispersion wavelength (ZDW) and the anomalous chromatic dispersion region far from ZDW, respectively. Wider SCs can be obtained when pumped at a wavelength in the anomalous dispersion region close to ZDW. The widest SC range of 4,280 nm (from 1,370 to 5,650 nm) covering two octaves was obtained in a 4.8-cm-long fiber pumped at 2,300 nm.     

Comparative Study of Tribological Properties of Polyphenylene Sulfide (PPS), Polyethersulfone (PES), and Polysulfone (PSU)

The tribological properties of polyphenylene sulfide (PPS), polyethersulfone (PES) and polysulfone (PSU), which have similar molecular structures, were investigated using an end-face contact tribometer and a reciprocating tribometer. The thermomechanical behavior of the polymers was analyzed using dynamic mechanical analysis (DMA). PPS exhibited a maximum friction coefficient with increasing load and sliding speed, while the friction coefficients of PES and PSU decreased only slightly. The wear rate of PPS was much lower than that of PES and PSU under high loads and speeds. It is suggested that the main factors influencing the friction and wear properties of the neat polymers are their condensed state and heat resistance. Amorphous PES and PSU showed liquid-like behavior and very low friction when the frictional surface was in the molten-flow state. The macromolecular crystals of crystallizable PPS give it some solid-like behavior and load-carrying capacity; hence PPS exhibited lower wear than PES and PSU.     

Reduced field-of-view diffusion-weighted imaging of the brain at 7 T

Ventral and rostral regions of the brain are of emerging importance for the MRI characterization of early dementia, traumatic brain injury and epilepsy. Unfortunately, standard single-shot echo planar diffusion-weighted imaging of these regions at high fields is contaminated by severe imaging artifacts in the vicinity of air–tissue interfaces. To mitigate these artifacts and improve visualization of the temporal and frontal lobes at 7 T, we applied a reduced field-of-view strategy, enabled by outer volume suppression (OVS) with novel quadratic phase radiofrequency (RF) pulses, combined with partial Fourier and parallel imaging methods. The new acquisition greatly reduced the level of artifacts in six human subjects (including four patients with early symptoms of dementia).