非局域密度泛函理论表征活性炭孔径分布的改进算法

为提高由NLDFT计算值确定活性炭孔径分布(PSD)的精度,根据测得的77K氮在非石墨化碳黑BP460和椰壳活性炭K05上的吸附数据,比较了吸附空间及壁面结构采取不同假设对计算结果的影响。结果表明,常规将活性炭吸附空间近似为无限尺寸的石墨化碳黑表面构成的狭缝孔,并由Lorenz-Berthelot混合法则确定相互作用参数,计算值在较低压力区域和试验值之间的偏差明显;而将吸附壁面结构近似为非石墨化碳黑,并由表面粗糙度和石墨晶格分布的误差函数修正相互作用参数后,计算结果和试验值吻合良好。分析结果时发现,归一化方法和考虑周边吸附质分子作用的加权函数是影响NLDFT计算结果准确性的关键因素。     

X-ray spectra induced by slow highly charged Ar q + ions in collision with Nb surface

The X-ray spectra of Nb surface induced by Ar ^q+ (q = 16,17) ions with the energy range from 10 to 20 keV/q were studied by the optical spectrum technology. The experimental results indicate that the multi-electron excitation occurred as a highly charged Ar¹⁶⁺ ion was neutralized below the metal surface. The K shell electron of Ar¹⁶⁺ was excited and then de-excited cascadly to emit K X-ray. The intensity of the X-ray emitted from K shell of the hollow Ar atom decreased with the increase of projectile kinetic energy. The intensity of the X-ray emitted from L shell of the target atom Nb increased with the increase of projectile kinetic energy. The X-ray yield of Ar¹⁷⁺ is three magnitude orders larger than that of Ar¹⁶⁺. Supported by the National Natural Science Foundation of China (Grant Nos.10774149 and 10405025)     

Zirconium-doped hybrid films patterned by soft lithography for distributed-feedback lasers

Zirconium (Zr)-doped hybrid films containing Rhodamine 6G (Rh6G) were prepared by spin-coating on glass substrates with different Zr–Si molar ratio. Second-order distributed-feedback (DFB) resonators with large surface-relief modulation depth over 160 nm could be fabricated by soft lithographic technique using a polydimethylsiloxane (PDMS) replica. Optically pumped by a pulsed frequency-doubled Q-switched Nd:YAG laser, the emission wavelength of the DFB-lasers can be tuned over 16 nm by changing the grating period. With the optimization of the Zr–Si molar ratio, low laser threshold of 3 μJ/mm² was obtained.     

Hawking radiation of Weyl neutrinos in a rectilinearly non—uniformly accelerating Kinnersley black hole

The quantum thermal effect of Weyl neutrinos in a rectilinearly non-uniformly accelerating Kinnersley black hole is investigated using the generalized tortoise coordinate transformation.The equations that determine the location,the Hawking temperature of the event horizon and the thermal radiation spectrum of neutrinos are derived.Our results show that the location and the temperature of the event horizon depend not only on the time but also on the angle.     

First-principles study for the atomic structures and electronic properties of PbTiO3 oxygen-vacancies (0 0 1) surface

The structural and electronic properties of fully-relaxed PbTiO₃ (0 0 1) oxygen-vacancy surface with PbO and TiO₂ terminations are investigated by first-principles calculations. In contrast to the perfect surface, the smaller surface rumples and interlayer distances have been found. The largest relaxation occurs on the second layer atoms not on the surface layer ones, and some in-gap Ti 3d states at about −1.1 eV below the Fermi-level are observed in the TiO₂-terminated surface caused by oxygen-vacancies. For the PbO-terminated surface, some in-gap Ti 3d states and Pb 6p states also move into the bulk midgap region to become partially occupied, and two different chemical states of the Pb 6s states were found. One is attributed to the bulk perovskite Pb atoms and another one is caused by the relaxation of surface Pb atoms. These theoretical results would give a good reference for the future experimental studies.     

Interplay between out-of-plane magnetic plasmon and lattice resonance for modified resonance lineshape and near-field enhancement in double nanoparticles array

Two-dimensional double nanoparticle （DNP） arrays are demonstrated theoretically, supporting the interaction between out-of-plane magnetic plasmons and in-plane lattice resonances, which can be achieved by tuning the nanoparticle height or the array period due to the height-dependent magnetic resonance and the periodicity-dependent lattice resonance. The interplay between the two plasmon modes can lead to a remarkable change in resonance lineshape and an improvement on magnetic field enhancement. Simultaneous electric field and magnetic field enhancement can be obtained in the gap region between neighboring particles at two resonance frequencies as the interplay occurs, which presents “open” cavities as electromagnetic field hot spots for potential applications on detection and sensing. The results not only offer an attractive way to tune the optical responses of plasmonic nanostructure, but also provide further insight into the plasmon interactions in periodic nanostructure or metamaterials comprising multiple elements.     

Tb3+、Yb3+共掺BaGd2ZnO5荧光粉的制备及其近红外量子剪裁研究

采用高温固相法合成了Tb3+、Yb3+共掺杂的BaGd2ZnO5荧光粉。XRD测量数据表明合成的样品为纯相。在Tb3+特征激发(297 nm)下得到了Yb3+的特征发射(977 nm),并且对Tb3+与Yb3+能级图进行分析,证明Tb3+到Yb3+为合作能量传递。测量了不同Yb3+浓度下Tb3+的5D4能级(544 nm)的发光寿命曲线,计算得到Tb3+与Yb3+的能量传递效率和量子效率,最高量子效率为125.5%。Yb3+的发射与硅太阳能电池的吸收匹配,该材料有可能应用于硅太阳能电池以提高其转换效率。     

SETMOS实现多涡卷蔡氏电路的研究

基于细胞神经网络结构,利用具有负微分电阻特性的单电子晶体管与金属氧化物半导体混合结构器件SETMOS实现了多涡卷蔡氏电路.对该电路系统的基本动力学特性(如相图、分岔图、Lyapunov指数、Poincaré映射和功率谱)进行了理论分析和数值仿真,并利用电路仿真实验验证了该三阶四涡卷蔡氏电路设计的正确性和可行性.研究结果表明,SETMOS的负微分电阻特性决定着多涡卷蔡氏电路的复杂动力学行为,而且所设计的电路结构简单易行.     

激光惯性约束聚变中光学汤姆逊散射研究进展

当前,激光惯性约束聚变在越来越接近点火的极端能量密度条件下,实验与模拟的偏离逐渐增大,一个关键原因是缺乏对黑腔等离子体状态及其影响黑腔能量学和内爆对称性的细致研究和判断。光学汤姆逊散射主动式、诊断精确、参数完备的优点,使之成为激光惯性约束聚变黑腔等离子体状态参数精密诊断的标准方法。中国面向激光惯性约束聚变研究的光学汤姆逊散射实验技术的发展与神光系列激光装置的建设和在其上开展的物理实验紧密相关。近年来,四倍频汤姆逊散射实验技术在神光III原型和100 kJ激光装置上相继建立,部分实验结果不仅加深了对激光惯性约束聚变靶物理的认识,还反映了实验条件对汤姆逊散射诊断的影响,促进了实验技术的精密化发展。在未来,还需要进一步发展多支路汤姆逊散射、五倍频汤姆逊散射和超热相干汤姆逊散射等新技术,面向点火黑腔条件,大幅提升激光等离子体状态参数的诊断精度,开展新物理机制的探索和研究,在激光惯性约束聚变和其他高能量密度物理科学领域发挥更重要的作用。