时间分辨红外发射光谱法对自由基反应的研究

在过去的 15年中 ,傅立叶变换红外发射光谱法广泛应用于研究气相自由基反应 .Sloan首先研究了O(1D)的反应 ,随后Leone和Hancock研究了O(3 P)的反应 .此后 ,孔繁敖和朱起鹤等研究了小自由基 ,包括CH、CH2 、CH3 、C2 H3 、C2 H5、C2 H、C3 H3 和C3 H5与O2 、NO、N2 O、NO2 等分子的反应。在红外光谱中观察到各个反应的初生产物和初步反应通道 ,和从头算的理论研究结合起来 ,这些反应的机理已基本弄清 .     

水分子辅助的一碳单元转移机理的密度泛函研究

为验证甘氨酰胺转甲酰基酶 (Glycinamideribonucleotidetransformylase ,GARTfase)催化的一碳单元转移反应是嘌呤“从头合成”过程中一个关键步骤的实验推测 ,用B3LYP方法 ,在 6 31G 基组水平上研究了GARTfase催化反应中水分子辅助的一碳单元转移机理 .该反应一共有两条可能的反应通道 :协同的 (patha)和分步的(pathb) ,计算表明 ,后者具有较低势垒 ,更占优势 .计算结果较好地证实了实验假设 ,并进一步表明 :水分子的参与能够缓解体系的张力 ,更有利于一碳单元转移反应的进行 .     

Fabrication of high growth rate solar-cell-quality μc-Si:H thin films by VHF-PECVD

Several series of Si:H films were fabricated by the very high frequency plasma enhanced chemical vapour deposition (VHF-PECVD) at different substrate temperatures (T_s) and silane concentration (SC=[SiH_4]/[SiH_4+H_2]%). The results of Raman spectroscopy showed structural evolution of the Si:H films with the variation of T_s and SC. The results of x-ray diffraction (XRD) measurements indicated that T_s also influences the crystal orientation of the Si:H films. The modulation effect of T_s on crystalline volume fraction (X_c) is more evident for the high SC, which shows different trend compared to low SC. In addition, the growth rate of the films also showed a regular change with the variation of SC and T_s. Different samples in the series showed a similar increase in dark conductivity and a decrease in photosensitivity with increasing T_s and decreasing SC. Device-quality microcrystalline silicon materials were deposited at a high growth rate, characterized by relatively low dark conductivity and relatively high photosensitivity in a certain crystalline range. The microcrystalline silicon solar cell with a conversion efficiency of 4.55% has been prepared by VHF-PECVD.     

Hydroxyapatite coating on porous silicon substrate obtained by precipitation process

Hydroxyapatite Ca₁₀(PO₄)₆(OH)₂ (HAP) is known as a bioactive and biocompatible material, HAP coatings were used to improve the biocompatible of substrate by many researcher, In this work, HAP thin films on porous silicon (PS) substrates have been prepared by aqueous precipitation method with rapid thermal annealing (RTA) processes. The HAP films had been prepared under the annealing temperature ranging from 300 to 1000 °C. By the measurement of X-ray diffraction (XRD), it was found that for the crystallinity optimization, the heat-treatment at 850–950 °C for 1 h would be favorable. Atomic force microscopy (AFM) and scanning electron microscope (SEM) measurements reveal a dense and smooth surface of the HAP film, and tightly adherence of the coating on porous silicon substrate after sintered. Thus, by this method, porous silicon could be increased its bioactivity and so that could be used in the biomedical area.     

Actively mode-locked dual-wavelength fiber laser with close wavelength spacing using a fiber Bragg grating

A simple actively mode-locked fiber ring laser is proposed and successfully demonstrated to generate dual-wavelength picosecond pulses with close wavelength spacing using one Bragg grating in standard single-mode fiber. The proposed laser can be made to operate in stable dual-wavelength at room temperature, due to the birefringence characteristic of the FBG induced by transverse strain. Transverse strain loading on the FBG allows the wavelength spacing to be controlled. Generation of stable dual-wavelength pulses with a pulsewidth of 212–234 ps and a tunable wavelength separation from 0.2 to 0.44 nm at a pulse rate of 1.05 GHz was demonstrated.     

Topological Sectors and a Dichotomy in Conformal Field Theory

Let be a local conformal net of factors on S¹ with the split property. We provide a topological construction of soliton representations of the n-fold tensor product that restrict to true representations of the cyclic orbifold We prove a quantum index theorem for our sectors relating the Jones index to a topological degree. Then is not completely rational iff the symmetrized tensor product has an irreducible representation with infinite index. This implies the following dichotomy: if all irreducible sectors of have a conjugate sector then either is completely rational or has uncountably many different irreducible sectors. Thus is rational iff is completely rational. In particular, if the -index of is finite then turns out to be strongly additive. By [31], if is rational then the tensor category of representations of is automatically modular, namely the braiding symmetry is non-degenerate. In interesting cases, we compute the fusion rules of the topological solitons and show that they determine all twisted sectors of the cyclic orbifold.Supported in part by GNAMPA-INDAM and MIURSupported in part by NSF     

Raman spectra and XPS studies of phase changes in Ge2Sb2Te5 films

Ge_2Sb_2Te_5 film was deposited by RF magnetron sputtering on Si (100) substrate. The structure of amorphous and crystalline Ge_2Sb_2Te_5 thin films was investigated using XRD, Raman spectra and XPS. XRD measurements revealed the existence of two different crystalline phases, which has a FCC structure and a hexagonal structure, respectively. The broad peak in the Raman spectra of amorphous Ge_2Sb_2Te_5 film is due to the amorphous －Te－-Te－ stretching. As the annealing temperature increases, the broad peak separates into two peaks, which indicates that the heteropolar bond in GeTe_4 and the Sb－Sb bond are connected with four Te atoms, and other units such as (TeSb) Sb－Sb (Te_2) and (Sb_2) Sb－Sb (Te_2), where some of the four Te atoms in the above formula are replaced by Sb atoms, remain in crystalline Ge_2Sb_2Te_5 thin film. And from the results of Raman spectra and XPS, higher the annealing temperature, more Te atoms bond to Ge atoms and more Sb atoms substitute Te in (Te_2) Sb－Sb (Te_2).     

Resistivity－temperature characteristics of sol gel YBa2Cu3Oy samples synthesized in flowing oxygen atmosphere

The relationship of resistivity versus synthesizing temperature of sol gel YBa_2Cu_3O_y samples was studied when prepared under flowing oxygen conditions. A set of high-temperature ρ－T curves was obtained for the whole process. After the sample finished the test measuring, its resistivity was ρ_{300}=9.83×10^{-3 }Ω·cm at room temperature. The ρ－T curve also showed that the orthorhombic－tetragonal phase transformation of sol-gel YBa_2Cu_3O_y sample occurred at 581℃ for the sample in the rising temperature process, but at 613℃ in the cooling process, lower than that of the samples made by using the conventional powder metallurgy methods.     

Modelling of chaotic systems based on modified weighted recurrent least squares support vector machines

Positive Lyapunov exponents cause the errors in modelling of the chaotic time series to grow exponentially. In this paper, we propose the modified version of the support vector machines (SVM) to deal with this problem. Based on recurrent least squares support vector machines (RLS-SVM), we introduce a weighted term to the cost function tocompensate the prediction errors resulting from the positive global Lyapunov exponents. To demonstrate the effectiveness of our algorithm, we use the power spectrum and dynamic invariants involving the Lyapunov exponents and the correlation dimension as criterions, and then apply our method to the Santa Fe competition time series. The simulation results shows that the proposed method can capture the dynamics of the chaotic time series effectively.     

Simple Entanglement Measure for Multipartite Pure States

A simple entanglement measure for multipartite pure states is formulated based on the partial entropy of a series of reduced density matrices. Use of the proposed new measure to distinguish disentangled, partially entangled, and maximally entangled multipartite pure states is illustrated.