Monovacancy and substitutional defects in hexagonal silicon nanotubes

We present a first-principles study of the geometrical and electronic structures of a hexagonal single-walled silicon nanotube with a monovacancy or a substitutional defect. The B, C, N, Al and P atoms are chosen as substitutional impurities. It is found that the defect such as a monovacancy or a substitutional impurity results in deformation of the hexagonal single-walled silicon nanotube. In both cases, a relatively localized unoccupied state near the Fermi level occurs due to this local deformation. The differences in geometrical and electronic properties of different substitutional impurities are discussed.     

Elasticity transition and loop formation in vibrated bead chains: A simulation of polymer chains

By measuring the distribution function of the end-to-end distance, we find that strongly shaken bead chains exhibit many properties, such as the rigid-rod-to-Gaussian chain transition, scaling, fast drop of loop formation probability in the short-chain regime, and enhancement of loop formation probability for kinked chains, of long-chain polymers. Though there is difference in local details between our chains and the worm-like chains, our results are consistent with recent calculations based on the worm-like chain model in many respects.     

燃煤锅炉粉煤灰中痕量元素赋存形态研究

本文运用改进的Tessier法对某燃煤电厂静电除尘器收集的三个电场的粉煤灰进行分级提取(SEE)实验研究.SEE实验将粉煤灰中的重金属分为五个存在形态进行分级提取:水溶态(pH=7),酸溶态(pH=5),氧化物结合态,难还原态及残渣态.试验结果表明,残渣态在ESP除尘器所收集的飞灰中含量占据绝大部分;在容易迁移的离子可交换态和酸溶态中,所研究的痕量重金属元素均呈现出FA1相似文献   

Structural and physical properties of ZnO:Al films grown on glass by direct current magnetron sputtering with the oblique target

ZnO:Al films were deposited on glass substrates at 300 K and 673 K by direct current magnetron sputtering with the oblique target. The Ar pressure was adjusted to 0.4 Pa and 1.2 Pa, respectively. All the films have a wurtzite structure and grow with a c-axis orientation in the film growth direction. The films grow mainly with columnar grains perpendicular to the substrate and some granular grains also exist in the films. The film deposited at 673 K and 0.4 Pa has the largest grains whereas that prepared at 300 K and 0.4 Pa consists of the smallest grains and is porous. The films exhibit an n-type semiconducting behavior at room temperature. The ZnO:Al film deposited at 673 K and 0.4 Pa has the lowest resistivity (3.40 × 10⁻³ Ω cm), the highest free electron concentration (4.63 × 10²⁰ cm⁻³) and a moderate Hall mobility (4.0 cm² V⁻¹ s⁻¹). The film deposited at 300 K and 0.4 Pa has the highest resistivity and the lowest free electron concentration and Hall mobility. A temperature dependence of the resistivity reveals that the carrier transport mechanism is Mott’s variable range hopping in the temperature region below 100 K and thermally activated band conduction above 215 K. The activation energy for the film deposited at 300 K and 0.4 Pa is 41 meV and that for the other films is about 35 meV. All the films have an average optical transmittance of over 85% in the visible wavelength range. The absorption edge of the film deposited at 300 K and 0.4 Pa shifts to the longer wavelength (redshift) relative to the films prepared under the other conditions.     

Study of theoretical tensile strength of Fe by afirst-principles computational tensile test

This paper employs a first-principles total-energy method to investigate the theoretical tensile strengths of bcc and fcc Fe systemically. It indicates that the theoretical tensile strengths are shown to be 12.4, 32.7, 27.5~GPa for bcc Fe, and 48.1, 34.6, 51.2~GPa for fcc Fe in the [001], [110] and [111] directions, respectively. For bcc Fe, the [001] direction is shown to be the weakest direction due to the occurrence of a phase transition from ferromagnetic bcc Fe to high spin ferromagnetic fcc Fe. For fcc Fe, the [110] direction is the weakest direction due to the formation of an instable saddle-point `bct structure' in the tensile process. Furthermore, it demonstrates that a magnetic instability will occur under a tensile strain of 14%, characterized by the transition of ferromagnetic bcc Fe to paramagnetic fcc Fe. The results provide a good reference to understand the intrinsic mechanical properties of Fe as a potential structural material in the nuclear fusion Tokamak.     

Study of top and bottom contact resistance in one organic field-effect transistor

This paper reports that the organic field-effect transistors with hybrid contact geometry were fabricated, in which the top electrodes and the bottom electrodes were combined in parallel resistances within one transistor. With the facility of the novel structure, the difference of contact resistance between the top contact geometry and the bottom contact geometry was studied. The hybrid contact devices showed similar characteristics with the top contact configuration devices, which provide helpful evidence on the lower contact resistance of the top contact configuration device. The origin of the different contact resistance between the top contact device and the bottom contact device was discussed.     

双球聚集粒子辐射特性分析

基于广义Mie理论求解方法(GMM),考虑单元粒子之间的相互作用,计算了不同尺度参数不同间距的双球聚集粒子的衰减因子、散射因子等辐射特性参数,同时分析了双球聚集粒子与不考虑相互作用计算所得的辐射特性差异,分析结果表明:考虑相互作用与不考虑相互作用计算所得的双球聚集粒子的辐射特性存在着一定的差别,这种差别随粒子间距、尺度参数的变化而变化,最大偏差达30%左右.     

SPECTRO光电直读光谱仪的取样与使用

直读光谱仪分析快速、准确,操作简单,方便实用,已得到了广泛应用。本文介绍了光电直读光谱仪的取样及操作。     

原子吸收光谱测定刺五加中金属元素的含量

用原子吸收光谱法测定了刺五加根、茎、叶中Ca、Cu、Mg、Fe、Zn、K、Mn、Na等8种矿物质元素的含量,并对其结果进行了分析比较,以此研究了这8种金属元素在刺五加体内的分布。结果显示：各元素在实验范围内,线性关系良好,加标回收率在99%—109.6%之间,相对标准偏差为0.2%—1.8%。刺五加中不同部位的这8种元素间存在显著差异,根中Ca〉Mg〉K〉Fe〉Na〉Mn〉Zn〉Cu,其叶中的含量以K为高,而且各部位均有较高的Ca、Cu、Mg、Fe、Zn、K、Mn、Na。从微量元素的角度分析,刺五加的根、茎、叶均有一定的应用价值。     

Photonic ultra-wideband monocycle pulses generation using semiconductor optical amplifier and electro-absorber in parallel

A scheme for photonic generation of ultra-wideband （UWB） pulses using a semiconductor optical amplifier （SOA） and an electro-absorber （EA） in parallel is proposed and numerically demonstrated. By adjusting the time delay between two pump signals incident into the SOA and the EA, we can obtain monocycle pulses with reversed polarities and different bandwidths. The proposed method is flexible in pulse shaping and easy in practical optimization.