Effect of XeCl laser irradiation on the defect structure of Nd:YAG crystals

This paper presents the effect of XeCl laser irradiation on Nd:YAG single crystal samples with various number of pulses at different repetition rates and laser fluences. Effects of the irradiation on the optical and structural properties of the crystal are analyzed by UV–vis-NIR spectroscopy. Annihilation of some point defects of the crystal structure is observed following laser irradiation at a fluence of 100 mJ cm⁻² with 100 and 500 pulses. Increasing the laser fluence and pulse numbers leads to saturation and new defects are found to be formed in the crystal. Additional absorption spectra of the irradiated samples show that oxygen vacancies in the Nd:YAG crystals are removed during the low-dose irradiation. The laser irradiation is compared to the thermal annealing process for Nd:YAG crystal modification. Additional absorption spectrum of an annealed sample reveals that induced negative absorption band at 236 nm is correlated with the annihilation of the oxygen vacancy center. Our results also demonstrate that XeCl laser treatment has several advantages upon annealing at high temperatures in the Nd:YAG crystal quality improvement. Thus, the present work can give a new approach to modify Nd:YAG crystals to be used in a wide variety of solid-state laser engineering.     

基于质心理念的无线传感网络路由协议的研究与改进*

在无线传感器网络中存在诸如节点能量损耗以及数据传输时所存在的时延等问题,因此在深入研究PEGASIS以及相关改进算法的基础上,并结合力学中质心的概念而提出一种基于质心理念的链式算法CMC-PEGASIS(Center of mass concept-PEGASIS)。该算法将整个传感器区域分成等宽的五个子区域,通过计算每个子区域内节点至基站的距离并按照距离与基站的远近来成链。其次引入质心的概念找到每个区域节点的能量中心,同时结合节点自身的能耗以及每个节点与基站的距离关系,得到每个子区域中的最佳的簇头节点,最后每个区域的簇头节点直接与基站完成信息的传输。经过理论分析和仿真结果得知：CMC-PEGASIS算法降低了全局能耗、减少了信息延迟率同时延长了网络的生命周期。     

γ射线辐照对掺Yb光纤材料性能的影响

采用改进的化学气相沉积法制备掺Yb石英光纤预制棒,以该预制棒制备了尺寸为10/130μm的双包层掺Yb光纤,将这些光纤分成若干组,在不同剂量的60Coγ辐射源下辐照,测试了光纤在辐射前后的吸收谱和激光性能以及光纤预制棒切片辐照后的吸收.实验结果表明:光纤中已存在的色心缺陷(如氧空位(II))和辐照引起的色心缺陷(如E’心、过氧基以及Yb2+离子)等因素的叠加作用可能导致辐照后的光纤在可见光区域的吸收显著增大;与辐照前相比,辐照后光纤的斜率效率、光-光效率显著下降,剂量越大激光性能下降得越厉害;基于Power-Law定理拟合了光纤辐致损耗与所受剂量的关系曲线,定量分析了不同剂量辐照后光纤激光性能下降的原因.研究结果将为进一步发展抗辐照光纤提供理论和实验依据.     

铁钝化多孔硅的制备及光致发光机理研究

采用水热腐蚀法在相同环境下制备了不同晶型的铁钝化多孔硅样品。同一样品表面具有相似的孔隙结构,不同样品形貌存在差异。在300 nm光激发下,样品发光峰位于618 nm附近,半高宽约为132 nm。傅立叶红外变换光谱显示样品中有强的Si—Si、Si—O—Si、O y—Si—H x化学键振动吸收。结果表明,水热腐蚀法制备的铁钝化多孔硅表面形貌与腐蚀过程的局域电极分布关系密切。样品的光致发光行为可归因于量子限制-发光中心作用,并受非桥氧空穴发光中心数量影响。     

用类Li原子波函数对H52+团簇的正四面体中心结构与能量的研究

在单中心球模型近似下,选用类Li原子解析波函数,用变分法计算了H52 团簇正四面体中心结构与能量.结果表明当中心氢原子核到顶角氢原子核之间的距离R=1.93a0时,体系能量有一极小值E=-4.3792 Hartree(a0=0.529177×10-10m,1 Hartree=27.2 eV).这表明H52 团簇的正四面体中心结构是稳定的结构,H52 团簇是可能存在的.     

Oscillations in three-reaction quadratic mass-action systems

It is known that rank-two bimolecular mass-action systems do not admit limit cycles. With a view to understanding which small mass-action systems admit oscillation, in this paper we study rank-two networks with bimolecular source complexes but allow target complexes with higher molecularities. As our goal is to find oscillatory networks of minimal size, we focus on networks with three reactions, the minimum number that is required for oscillation. However, some of our intermediate results are valid in greater generality. One key finding is that an isolated periodic orbit cannot occur in a three-reaction, trimolecular, mass-action system with bimolecular sources. In fact, we characterize all networks in this class that admit a periodic orbit; in every case, all nearby orbits are periodic too. Apart from the well-known Lotka and Ivanova reactions, we identify another network in this class that admits a center. This new network exhibits a vertical Andronov–Hopf bifurcation. Furthermore, we characterize all two-species, three-reaction, bimolecular-sourced networks that admit an Andronov–Hopf bifurcation with mass-action kinetics. These include two families of networks that admit a supercritical Andronov–Hopf bifurcation and hence a stable limit cycle. These networks necessarily have a target complex with a molecularity of at least four, and it turns out that there are exactly four such networks that are tetramolecular.     

GEOMETRICAL METHOD TO DETERMINE THE CENTER OF A PARALLEL FORCE SYSTEM

在求平行力系中心位置的过程中,要用到合力矩定理. 现有方法把合力的作用点设为平行力系中心,较难理解. 该文应用合力矩定理时,把合力作用点假设为合力作用线上任意一点,平行力系合力作用线总是通过一个固定点的物理意义非常明确.     

A theoretical study of the mechanism of the nucleotidyl transfer reaction catalyzed by yeast RNA polymerase II

The mechanism of the nucleotidyl transfer reaction catalyzed by yeast RNA polymerase II has been investigated using molecular mechanics and quantum mechanics methods.Molecular dynamics(MD) simulations were carried out using the TIP3 water model and generalized solvent boundary potential(GSBP) by CHARMM based on the X-ray crystal structure.Two models of the ternary elongation complex were constructed based on CHARMM MD calculations.All the species including reactants,transition states,intermediates,and products were optimized using the DFT-PBE method coupled with the basis set DZVP and the auxiliary basis set GEN-A2.Three pathways were explored using the DFT method.The most favorable reaction pathway involves indirect proton migration from the RNA primer 3’-OH to the oxygen atom of-phosphate via a solvent water molecule,proton rotation from the oxygen atom of-phosphate to the-phosphate side,the RNA primer 3’-O nucleophilic attack on the-phosphorus atom,and P-O bond breakage.The corresponding reaction potential profile was obtained.The rate limiting step,with a barrier height of 21.5 kcal/mol,is the RNA primer 3’-O nucleophilic attack,rather than the commonly considered proton transfer process.A high-resolution crystal structure including crystallographic water molecules is required for further studies.     

Local structural order in carbonic acid polymorphs: Raman and FT‐IR spectroscopy

Two different polymorphs of carbonic acid, α‐ and β‐H₂CO₃, were identified and characterized using infrared spectroscopy (FT‐IR) previously. Our attempts to determine the crystal structures of these two polymorphs using powder and thin‐film X‐ray diffraction techniques have failed so far. Here, we report the Raman spectrum of the α‐polymorph, compare it with its FT‐IR spectrum and present band assignments in line with our work on the β‐polymorph [Angew. Chem. Int. Ed. 48 (2009) 2690–2694]. The Raman spectra also contain information in the wavenumber range ∼90–400 cm⁻¹, which was not accessible by FT‐IR spectroscopy in the previous work. While the α‐polymorph shows Raman and IR bands at similar positions over the whole accessible range, the rule of mutual exclusion is obeyed for the β‐polymorph. This suggests that there is a center of inversion in the basic building block of β‐H₂CO₃ whereas there is none in α‐H₂CO₃. Thus, as the basic motif in the crystal structure we suggest the cyclic carbonic acid dimer containing a center of inversion in case of β‐H₂CO₃ and a catemer chain or a sheet‐like structure based on carbonic acid dimers not containing a center of inversion in case of α‐H₂CO₃. This hypothesis is strengthened when comparing Raman active lattice modes at < 400 cm⁻¹ with the calculated Raman spectra for different dimers. In particular, the intense band at 192 cm⁻¹ in β‐H₂CO₃ can be explained by the inter‐dimer stretching mode of the centrosymmetric RC(OHO)₂ CR entity with ROH. The same entity can be found in gas‐phase formic acid (RH) and in β‐oxalic acid (RCOOH) and produces an intense Raman active band at a very similar wavenumber. The absence of this band in α‐H₂CO₃ confirms that the difference to β‐H₂CO₃ is found in the local coordination environment and/or monomer conformation rather than on the long range. Copyright © 2011 John Wiley & Sons, Ltd.     

有重弹性体形变与质量分布规律的简明推导

依据胡克定律与串联弹性体的劲度系数计算公式,直观简便地导出了弹性体在重力场中的形变规律、质量分布规律及其质心位置.