Effects of High Pressure on BC3

High-pressure phases of BC3 are studied within the local density approximation under the density functional theory framework. When the pressure reaches 20 GPa, the layered BC3 that is a semiconductor at ambient pressure, becomes metallic. As the pressure increases, the material changes into a network structure at about 35 GPa. To understand the mechanism of phase transitions, band structure and density of states are discussed. With the increase of pressure, the width of bands broadens and the dispersion of bands enlarges. Additionally, the density of states of the network bears great resemblance to that of diamond. Formation of the sp3 bonding in the network is the main reason for the structural transformation at 35 GPa.     

PLE spectra analysis of the sub-structure in the absorption spectra of CdSeS quantum dots

The semiconductor CdSeS quantum dots (QDs) embedded in glass are analysed by means of absorption spectra, photoluminescence (PL) spectra and photoluminescence excitation (PLE) spectra. The peaks of absorption spectra shift to lower energies with the size of QD increasing, which obviously shows a quantum-size effect. Using the PLE spectra, the physical origin of the lowest absorption peak is analysed. In PLE spectra, the lowest absorption peak can be deconvoluted into two peaks that stem from the transitions of 1S_3/2--1S_e and 2S_3/2--1S_e respectively. The measured energy difference between the two peaks is found to decrease with the size of QD increasing, which agrees well with the theoretical calculation for the two transitions. The luminescence peak of defect states is also analysed by PLE spectra. Two transitions are present in the PLE, which indicates that the transitions of 1S_3/2--1S_e and 2S_3/2--1S_e are responsible for the defect states luminescence.     

在WBEPM理论下EuⅠ原子里德堡能级计算(英文)

依据最弱受约束电子势模型理论,计算了铕原子4f76snd6D9/2(n≥13)、4f76snd8D9/2(n≥17)、4f76snd8D5/2(n≥15)和4f76snd8D3/2(n≥21)里德堡系列能级.计算结果与实验值的最大相对误差为4×10-5,最大绝对误差是1.91cm-1,达到了较高精度,这表明文中的外推数据是可信的.     

Effects of sintering temperature and atmosphere on magnetism in Mn-doped TiO2 bulk samples

Magnetic properties have been investigated on Mn doped TiO₂(Ti_0.98Mn_0.02O₂) bulk samples prepared by solid state reaction, which were sintered at different temperature ranging from 450 ^°C to 900 ^°C in air and argon atmosphere, respectively. The results show that the magnetic properties were strongly dependent on the sintering temperature and atmosphere. For samples sintered in air, the magnetization initially increase with the increase of sintering temperature up to 600 ^°C and thereafter it decrease. While the magnetization of samples sintered in argon atmosphere decreases monotonically with the increase of sintering temperature. Furthermore, for samples sintered at 600 ^°C in air, the magnetic susceptibility exhibits a dominant Curie-Weiss behaviour and no magnetic transition is observed over the temperature range from 10 to 300 K. In contrast, for samples sintered in argon atmosphere, besides the magnetic transition near 45 K perhaps caused by Mn₃O₄, another magnetic transition appears near room temperature.     

Refractive indices of biaxial crystals evaluated from the refractive indices ellipsoid equation

The expressions of the refractive indices corresponding wave vector k(θ,) are given by using coordinate transformations for the refractive indices ellipsoid equation of biaxial crystals. The refractive index expression of the wave, whose velocity is slower, is given by

and that of the wave, whose velocity is faster, is given by

     

Membrane tube pearling induced by a coupling of osmotic pressure and nanoparticle adhesion

ABSTRACT

In this work, a coarse-grained molecular dynamics simulation method that belongs to the class of dissipative particle dynamics scheme with implicit solvent was used to indicate that adsorption of nanoparticles (NPs) inside a lipid membrane tube and pressure difference across the membrane, e.g. osmotic pressure, cooperatively induce membrane tube pearling. We demonstrate that NP adsorption and aggregation initiate the shape transformation of the lipid tube, and pressure difference provides a driving force for pearling transition. Depending on the dynamic coupling of tube shape transition and NP aggregation in the interior of the tube, different shape transitions via four kinds of pearling pathways are recognised, including pearls on a string (i.e. vesicles are interconnected via either a chain or double-chain of NPs) and tube-to-vesicle transition that is dominated kinetically either by NP-membrane attraction or by pressure difference. Considering the fact that biological membranes are semipermeable and many proteins interact with the membranes, these findings not only provide a mechanism of membrane tube pearling but also demonstrate the importance of osmotic pressure and protein–membrane interaction for many cell activities related to shape transitions of biomembrane.     

脉冲功率晶闸管反向恢复特性

为建立有效的晶闸管模型来仿真晶闸管关断时过电压,减小晶闸管过压损坏的概率,以最大通流150 kA、耐压5.2 kV的脉冲晶闸管为研究对象,将其前置于脉冲形成单元回路中作为大功率开关使用,记录放电过程中晶闸管两端电压及电流。实验数据表明：恢复过程中的电流下降率、反向恢复电荷、反向恢复电流峰值随通态电流峰值的增大而增大,晶闸管关断时间随通态电流峰值的增大而减小。此外,在关断过程中,当电流下降率在-50~1000 A/s时,电流下降率与电流峰值为线性关系。因此,在大脉冲电流条件下,推导反向恢复过程参数与通态电流参数的关系时电流下降率可用与电流峰值的线性关系代替。基于Matlab仿真平台,建立了具有反向恢复过程的脉冲晶闸管模型。该模型仿真得到的晶闸管反向恢复电流峰值与实测结果较为吻合,反向恢复电压尚待进一步修正。