Excited‐state hydrogen bond strengthening of coumarin 153 in ethanol solvent: a TDDFT study

So far, coumarin dyes have been extensively studied with various means to understand their photophysical behaviors and photochemical properties. Here, our performing time‐dependent density functional theory calculation is aimed at exploring the excited‐state hydrogen bonding dynamics of coumarin 153 (C153) in protic ethanol (EtOH) solvent. The calculated results suggest that the excited‐state hydrogen bond C?O?H?O between C?O group and O?H group in the C153‐EtOH complex is strengthened, and the S₀ → S₁ transition of the complex corresponds to the highest occupied molecular orbital (HOMO) hopping to the lowest unoccupied molecular orbital (LUMO). The excited‐state hydrogen bond strengthening has been further confirmed by its larger binding energy in the S₁ state than in the S₀ state. In addition, because of the formation of the hydrogen bond C?O?H?O, a red shift of about 7 nm occurs in the electronic spectra of the C153‐EtOH complex, which is in good accordance with the experiment result. Copyright © 2016 John Wiley & Sons, Ltd.     

Stages of melting of graphene model in two-dimensional space

Spontaneous melting of a perfect crystalline graphene model in 2D space is studied via molecular dynamics simulation. Model containing 10⁴ atoms interacted via long-range bond-order potential (LCBOP) is heated up from 50 to 8,450 K in order to see evolution of various thermodynamic quantities, structural characteristics and occurrence of various structural defects. We find that spontaneous melting of our graphene model in 2D space exhibits a first-order behaviour of the transition from solid 2D graphene sheet into a ring-like structure 2D liquid. Occurrence and clustering of Stone–Wales defects are the first step of melting process followed by breaking of C–C bonds, occurrence/growth of various types of vacancies and multi-membered rings. Unlike that found for melting of a 2D crystal with an isotropic bonding, these defects do not occur homogeneously throughout the system, they have a tendency to aggregate into a region and liquid phase initiates/grows from this region via tearing-like or crack-propagation-like mechanism. Spontaneous melting point of our graphene model occurs at T_m = 7,750 K. The validity of classical nucleation theory and Berezinsky–Kosterlitz–Thouless–Nelson–Halperin–Young (BKTNHY) one for the spontaneous melting of our graphene model in strictly 2D space is discussed.     

光谱偏振调制器的高精度装调方法

为了提高光谱偏振调制器的探测精度,提出了光谱偏振调制器的高精度装调方法。首先,分析了光谱偏振调制器的调制原理,提出了采用三片多级相位延迟器加线偏振器的装调方案;然后,建立了调制器装调的数理模型,设计了校准多级相位延迟器的厚度;最后,对成像过程进行了计算机仿真实验验证,并模拟了成像系统的装调过程。结果表明:利用该方法能够灵敏检测偏振器件间的微小相对旋转角度误差,可实现调制器的高精度装调,在输入本文设定的校准光谱条件下,绝对精度可达0.2°。该方法保留了传统光谱调制器充分利用通道带宽的优势,保证了复原光谱的分辨率,为强度调制型光谱偏振成像系统的精密装调提供了一定的理论参考。     

Generating unexpected spin echoes in dipolar solids with pi pulses

NMR spin echo measurements of 13C in C60, 89Y in Y2O3, and 29Si in silicon are shown to defy conventional expectations when more than one pi pulse is used. Multiple pi-pulse echo trains may either freeze out or accelerate the decay of the signal, depending on the pi-pulse phase. Average Hamiltonian theory, combined with exact quantum calculations, reveals an intrinsic cause for these coherent phenomena: the dipolar coupling has a many-body effect during any real, finite pulse.     

Fast resistive reconnection regime in the nonlinear evolution of double tearing modes

Phases of nonlinear double tearing modes are studied numerically. The first two phases lead to the formation and growth of magnetic islands and are followed by a fast reconnection phase to complete the process, driven by a process of neighboring magnetic separatrices merging and magnetic islands coupling. The fast growth can be understood as a result of the island interaction equivalent to a steadily inward flux boundary driven. Resistivity dependences for various phases are studied and shown by scaling analysis for the first time. It is found that after an early Sweet-Parker phase with a eta(1/2)-scale, a slow nonlinear phase in a Rutherford regime with a eta(1)-scale is followed by the fast reconnection phase with a eta(1/5)-scale.     

Evolution of the electronic structure of 1T-Cu(x)TiSe(2)

The electronic structure of a new charge-density-wave system or superconductor, 1T-Cu(x)TiSe(2), has been studied by photoemission spectroscopy. A correlated semiconductor band structure is revealed for the undoped case, which resolves a long-standing controversy in the system. With Cu doping, the charge-density wave is suppressed by the raising of the chemical potential, while the superconductivity is enhanced by the enhancement of the density of states, and possibly suppressed at higher doping by the strong scattering.     

Laser-diode pumped heavy-doped Yb:YAG ceramic lasers

Laser performance of heavy-doped Yb:YAG ceramics was investigated using a two-pass pumping miniature laser configuration. Slope efficiency of 52% and optical-to-optical efficiency of 48% have been achieved for 1-mm-thick YAG ceramic doped with 20 at.% ytterbium ions. Laser spectra of Yb:YAG ceramic and single-crystal lasers were addressed under different intracavity laser intensities. Heavy-doped Yb:YAG ceramic is more suitable for a thin disk laser than a single-crystal with the same Yb(3+)-ion lasants.     

Spectrally resolved reflectometric measurement of polarization mode dispersion in an optical fiber link with polarization-dependent loss

In an optical fiber link with polarization-dependent loss (PDL), we demonstrate that although the complex polarization mode dispersion vector cannot be fully obtained by the reflectometric measurement, the spectrally resolved differential group delay (DGD) and differential attenuation slope (DAS) can be explicitly determined by such measurements performed simultaneously in the optical frequency domain and the fiber length domain. In principle, this technique can be used to realize the spectrally resolved and spatially resolved measurement of DGD and DAS in an optical fiber link having PDL based on distributed Rayleigh backscattering. We report the experimental result based on the far-end Fresnel reflection to confirm the validity of the proposed method.     

Valley density profile for highly efficient x-ray lasers with good beam quality

A plasma with a valley density profile at the required electron density for high-gain operation of an x-ray laser could be obtained using a normally incident 300 ps laser pulse followed by a grazing-incident 300 ps laser pulse. Sudden heating of the valley plasma region by another grazing-incident 300 fs laser pulse would then yield a highly efficient x-ray laser beam with a deflecting angle of 2 mrad and a divergence angle of 4 mrad. Saturation operation of the x-ray laser beam at 32.6 nm could be achieved with a total pump energy of less than 100 mJ.