Theoretical Study on Thermodynamic Properties and Hydrophilicity of Polychorinated Phenothiazines （PCPTZs）

The thermodynamic properties of 135 polychlorinated phenothiazines (PCPTZs) in the standard state are calculated using a combination of quantum mechanical computations performed with the Gaussian 03 program at the B3LYP/6-311G** level, and their octanol-water partition coefficients (logKow) are calculated based on group contributions. The chlorine substitution pattern strongly influenced the thermodynamic properties and hydrophilicity of the compounds. The thermodynamic properties of congeners also depend on the chlorine substitution pattern. The effect of chlorine substitution pattern is quantitatively studied by considering the number and position of Cl atom substitution (NPCS). The results show that the NPCS model may be used to predict the thermodynamic properties and hydrophilicity for all 135 PCPTZ congeners.     

In Situ Tests of Multiwalled Carbon Nanotubes with Strength Close to Theoretical Predictions

Using MEMS technology and transmission electron microscopy we show experimentally multiwalled carbon nanotubes with a mean fracture strength of larger than 100 GPa, which exceeds the earlier observations by a factor of approximately 3. These results are in excellent agreement with quantum-mechanical estimations. This performance is made possible by omitting chemical treatments from the sample preparation process, thus avoiding the formation of defects. High-resolution imaging is used to directly determine the number of fractured shells and the ehirality of the outer shell. Electron irradiation at 200keV for 10, 100 and 1800s lead to improvements of the maximum sustainable loads by factors of 2.4, 7.9 and 11.6 compared with non-irradiated samples of similar diameter. This effect is attributed to crosslinking between the shells. This procedure is a cost effective way of customizing the properties of multiwall nanotubes for many applications of interest ranging from nanocomposites to nanodevices.     

The He--McKellar--Wilkens effect for spin-1 particles on non-commutative space

By using star product method, the He-McKellar-Wilkens （HMW） effect for spin-one neutral particle on noncommutative （NC） space is studied. After solving the Kemmer-like equations on NC space, we obtain the topological HMW phase on NC space where the additional terms related to the space-space non-commutativity are given explicitly.     

Boundedness and convergence of perturbed corrections for helium-like ions in ground states

Applying the improved Rayleigh SchrSdinger perturbation theory based on an integral equation to helium-like ions in ground states and treating electron correlations as perturbations, we obtain the second-order corrections to wavefunctions consisting of a few terms and the third-order corrections to energicity. It is demonstrated that the corrected wavefunctions are bounded and quadratically integrable, and the corresponding perturbation series is convergent. The results clear off the previous distrust for the convergence in the quantum perturbation theory and show a reciprocal development on the quantum perturbation problem of the ground state helium-like systems.     

Generation of four-photon W state via cavity QED

This paper proposes an alternative scheme for generating four-photon W state via cavity QED. The scheme bases on the resonant interaction of a A-type three level atom with two bimodal cavities. The detection of atom collapses the cavity to the desired state. Comparing with previous schemes, the advantage of this scheme is that the interaction time can be greatly shortened since it uses the resonant interaction between atom and cavities. Moreover, the proposed scheme is more experimentally feasible than the previous ones.     

Entanglement and quantum phase transition in alternating XY spin chain with next-nearest neighbouring interactions

By using the method of density-matrix renormalization-group to solve the different spin spin correlation functions, the nearest-neighbouring entanglement （NNE） and the next-nearest-neighbouring entanglement （NNNE） of one-dimensional alternating Heisenberg XY spin chain are investigated in the presence of alternating the-nearestneighbouring interaction of exchange couplings, external magnetic fields and the next-nearest neighbouring interaction. For a dimerised ferromagnetic spin chain, the NNNE appears only above a critical dimerized interaction, meanwhile, the dimerized interaction a effects a quantum phase transition point and improves the NNNE to a large extent. We also study the effect of ferromagnetic or antiferromagnetic next-nearest neighbouring （NNN） interaction on the dynamics of NNE and NNNE. The ferromagnetic NNN interaction increases and shrinks the NNE below and above a critical frustrated interaction respectively, while the antiferromagnetic NNN interaction always reduces the NNE. The antiferromagnetic NNN interaction results in a large value of NNNE compared with the case where the NNN interaction is ferromagnetic.     

曲面上的动量和动能算符

对约束在曲面上粒子运动的描述可以在内部坐标即曲面局部坐标下进行，也可以在外部坐标即在笛卡尔坐标下进行.在量子力学中，动量和动能算符的表示在这两种描述中各有不同，前者的动量算符仅包含内禀几何量，后者的动量算符包含了曲面的平均曲率.考虑到算符次序问题，动能算符对动量算符的依赖关系也不同，前者的依赖关系仅发现存在一种，后者的依赖关系已经发现有两种.