BaTiO3:Ce自泵浦相位共轭产生机制随入射位置和角度的变化

实验发现在保持入射到晶体表面的泵浦光斑尺寸不变的条件下,随泵浦光的入射位置和入射角不同,自泵浦相位共轭形成机制在FWM-TIR、FWM-SPB和FWM-TIR与FWM-SPB之间转变.     

铜催化的乙酰苯胺间位碳氢芳基化反应机理的理论研究

通过系统的理论计算研究了Gaunt报道的一个新颖的间位选择性C-H键芳基化反应的机理. Oxycupration机理含有一个关键的Cu(III)基团和酰胺氧原子对苯环C2=C3键的反式加成步. 但是计算结果表明这个反应路径的活化能太高(>175.56 kJ/mol),所以是动力学禁阻的. 提出了一个含有关键的酰胺导向的Cu(III)-Aryl对底物C2=C3键的顺式加成步的机理,这一步是反应的决速步,也是决定产物区域选择性的一步. 这个机理的活化能与实验条件是符合的,而且这个机理预测的产物区域选择性与实验     

BaTiO3:Ce自泵浦相位共轭产生机理随泵浦光斑尺寸的变化

实验发现当光入射到晶体表面的泵浦光斑尺寸较小时,无论入射角和入射位置怎样,擦除光对相位共轭反射率没有影响,同时从上表面可观察到全内反射的光回路,所以SPPC的形成机理为FWM-TIR;当入射到晶体表面的泵浦光斑尺寸较大时,在一定的入射角和入射位置,擦除光的作用使相位共轭反射率很快减小,表明这时的SPPC的形成机理为FWM-SPB.     

Diamagnetic and Paramagnetic Effects in Free-Electron Lasers

The effect of high-current relativistic electron beams (REB's) on the undulator field amplitude in free-electron lasers (FEL's) is investigated. Two mechanisms of excitation of periodic magnetostatic self-fields by REB are considered: 1) a static mechanism that is realized at stationary motion of REB in the undulator field; and 2) a dynamic mechanism that is realized at signal wave amplification. The static mechanism in the absence of an axial magnetic field leads to a decrease of the total undulator field amplitude (a diamagnetic effect). The dynamic mechanism for low-density beams leads to an increase of the total undulator field amplitude (a paramagnetic effect), with a subsequent increase of electron efficiency. For high-density beams, the effect of the phase shift of the total undulator field is most essential, due to which the growth of the signal wave amplitude is limited by nonlinear mismatch of synchronism.     

Exchange mechanisms for self-diffusion on aluminium surfaces

We present the results of molecular dynamics simulations and energy minimisation calculations for the diffusion of an Al adatom on Al(110) and Al(100) surfaces using a realistic many-body potential. For the Al/Al(110) system, the adatom motion is found to involve both a simple atomic-hopping mechanism, for displacements along the surface channels, and an atomic-exchange mechanism for displacements across the channels. On the (100) surface diffusion proceeds by an exchange mechanism. The transition state for this process is stabilised by strong covalent bonding.     

Flower-like silicon nanostructures

In this paper we present a flower-like silicon nanostructure grown by combining the oxidation-assisted growth (OAG) mechanism and the vapor–liquid–solid (VLS) growth mechanism. It is found that the flower-like silicon nanostructures are nucleated initially via the VLS mechanism and then grown on silicon wafer via the OAG mechanism. Furthermore, light emission was observed, which is considered to be the enhanced photothermal effect.     

Manifestation of intermediate meson loop effects in charmonium decays

We report the progress on understanding some of those existing puzzles in charmonium decays.We show that the intermediate meson loops (IML) as a long-distance transition mechanism will provide novel insights into these issues.In particular,we show that the IML mechanism would be essentially important for understanding the ψ(3770) non-DD decays.We also comment that such a mechanism is correlated with the Okubo-Zweig-Iizuka (OZI) rule evasions in charmonium hadronic decays.     

轴对称晶场中d3离子激发态对4A2基态自旋哈密顿参量的影响

采用完全对角化方法，讨论了三角对称和四角对称下d³离子自旋二重态和自旋四重态对基态⁴A₂(⁴F)自旋哈密顿(SH)参量(包括零场分裂(ZFS)和g因子)的影响机理. 并对影响基态SH参量的四种机理(SO机理，SS机理，SOO机理和SO-SS-SOO联合机理)进行了分析. 结果表明，自旋二重态与四重态对d³离子基态零场分裂都具有重要贡献；而基态g因子主要由四重态决定，二重态对g因子贡献很小. 此外，发现SS机理和SOO机理对基态EPR参量的贡献主要由四重态决定，二重态的影响很小.     

Biological image processing via Chaotic Differential Search and lateral inhibition

In this paper, we propose a hybrid biological image processing approach, which is based on Chaotic Differential Search (CDS) algorithm and lateral inhibition (LI) mechanism. We named this hybrid biological image processing approach as LI-CDS. Differential Search (DS) algorithm is a new bio-inspired optimization algorithm mimicking the migration behavior of an organism, and has been successfully used for solution of coordinate system transformation. The property of chaotic variable is integrated into DS to improve its search strategy so that it can escape from the local optimum. Furthermore, lateral inhibition mechanism, which is verified to have good effects on image edge extraction and image enhancement, is employed to pre-process images involved. In this hybrid biological image processing mechanism, our proposed LI-CDS method incorporates both advantages of chaos theory and lateral inhibition mechanism. Series of comparative experimental results by using LI-CDS, DS, CDS and Particle Swarm Optimization (PSO) demonstrate that the proposed LI-CDS performs better than the other three methods.     

Phase optimized skeletal mechanisms for engine simulations

Adaptive chemistry is based on the principle that instead of having one comprehensive model describing the entire range of chemical source term space (typically parameters related to temperature, pressure and species concentrations), a set of computationally simpler models are used, each describing a local region (in multidimensional space) or phases (in zero-dimensional space). In this work, an adaptive chemistry method based on phase optimized skeletal mechanisms (POSM) is applied to a 96 species n-heptane–isooctane mechanism within a two-zone zero-dimensional stochastic reactor model (SRM) for an spark-ignition (SI) Engine. Two models differing only in the extent of reduction in the phase mechanism, gave speed-up factors of 2.7 and 10. The novelty and emphasis of this study is the use of machine learning techniques to decide where the phases are and to produce a usable phase recognition. The combustion process is automatically divided up into an ‘optimal’ set of phases through machine learning clustering based on fuzzy logic predicates involving a necessity parameter (a measure giving an indication whether a species should be included in the mechanism or not). The mechanism of each phase is reduced from the full mechanism based on this necessity parameter with respect to the conditions of that phase. The algorithm to decide which phase the process is in is automatically determined by another machine learning method that produces decision trees. The decision tree is made up of asking whether the mass fraction values were above or below given values. Two POSM studies were done, a conservative POSM where the species in each phase are eliminated based on a necessity parameter threshold (speed-up 2.7) and a further reduced POSM where each phase was further reduced by hand (speed-up 10). The automated techniques of determining the phases and for creating the decision tree are very general and are not limited to the parameter choices of this paper. There is also no fundamental limit as to the size of the original detailed mechanism. The interfacing to include POSM in an application does not differ significantly from using the original detailed mechanism.     

Zipper mechanism of nanotube fusion: theory and experiment

We propose a new microscopic mechanism to explain the unusually fast fusion process of carbon nanotubes. We identify the detailed pathway for two adjacent (5,5) nanotubes to gradually merge into a (10,10) tube, and characterize the transition states. The propagation of the fused region is energetically favorable and proceeds in a morphology reminiscent of a Y junction via a zipper mechanism, involving only Stone-Wales bond rearrangements with low activation barriers. The zipper mechanism of fusion is supported by a time series of high-resolution transmission electron microscopy observations.     

第二类抗干涉齿轮集机构复合齿轮的最小层数

抗干涉齿轮集(CMG)机构是一种精巧的密码鉴别机构,可用于确保要害系统保证性的机械组合锁中。CMG机构的密码鉴别功能取决于两个配对的、多层密码齿轮固定堆叠而成的编码复合齿轮。复合齿轮层数的最小化有利于工程应用优化;对复合齿轮最小层数问题的认识,也是基于CMG机构的机械组合锁的关键科学问题之一。此前已证明第一类CMG机构复合齿轮的最小层数为3;对于有一个独特的指纹特征的第二类CMG机构,其最小层数的问题更为复杂。由于任意一个"NA+NB"的解锁符号序列都可以简并为"MAB"(M≤N)的形式且保持编码二维迷宫映射图中关键陷阱格点(CTG)的色数不变,且CTG互斥约束关系随着"MAB"持续增/减任意数量的"3AB"呈现出周期性,因此首先应用二维迷宫映射变换和CTG互斥的"十字叉"判据,将第二类CMG机构"3AB"(或"6AB"),"4AB"和"5AB"三种基本模式中复合齿轮最小层数的证明过程转换为求解无向图G(V,E)顶点着色的色数,得到其色数分别为3,5和6。进一步得到最终结论,第二类CMG机构必须细分为与简并解锁符号序列对应的三种模式"(3n)AB","(3n+1)AB"和"(3n+2)AB"(n是自然数1,2,…),最小齿轮层数分别为3,5和6。这意味着第二类CMG机构复合齿轮的最小层数受控于解锁符号序列结构的周期性。最后还给出了最小层数第二类CMG机构快捷编码的"三模板着色方法"。     

Electroluminescence quenching mechanism in Rubrene doped host-guest system

In this paper, the electroluminescence quenching mechanism in a 5,6,11,12-tetraphenylnaphthacene (Rubrene) doped host--guest system is studied by utilizing a specially designed organic light-emitting diode with an emission layer consisting of a few periodic host/guest structures. Tris-(8-hydroxyquinoline) aluminium (Alq₃) and Rubrene are used as the host and the guest, respectively. The thickness variation of the guest layer in each period enables the study of the effect of molecule aggregation, and the thickness variation of the host layer suggests a long range quenching mechanism of dipole--dipole interaction. The long range quenching mechanism is a F?rster process, and the F?rster radius of Rubrene is between 3 and 10~nm.     

Activation of Al2O3 by a long-ranged chemical bond mechanism

On the basis of density functional theory calculations, a novel bond mechanism with chemical strength but of long-ranged character is proposed. As compared to adsorption on a sole oxide or metal, the mechanism is found to enhance the bond strength between an adsorbate and an oxide in contact with a metal. As a model system, NO2 adsorption on alpha-Al2O3(0001) either in contact with Ag(111) or small Agn clusters is used. The observed phenomenon rests on charge transfer and modification of the oxide-metal interface. The mechanism is general in nature and the implication for heterogeneous catalysis is discussed.     

A comparison of the dominant Auger transitions in p-type (Hg,Cd)Te

We predict that the Auger hole-hole collision process involving a transition from the light hole band to the heavy hole band is an important recombination mechanism in non-degenerate p-type (Hg,Cd)Te. This is based on a comparison of the calculated lifetime for this mechanism with that due to the electron-electron collision mechanism discussed by Beattie and Landsberg which involves only the heavy hole valence band. We have estimated the ratio of the intrinsic lifetimes of these two mechanisms by approximating the integrals appearing in the lifetime expressions. We have determined the range of composition, temperature and doping density over which the Auger lifetime in p-type (Hg,Cd)Te is controlled by the light hole mechanism.     

An Intelligent Segmented Burst Assembly Mechanism in Optical Burst Switching Networks

We focus on the burst assembly mechanism and propose a new intelligent method in which the burst is assembled from several internet protocol （IP） packets in which the number of IP packets is changed according to the traffic load and the burst is segmented into several parts, called the ISOBS mechanism. The average burst assembly time of the ISOBS mechanism decreases as compared with the fixed-assembly-time and fixed-assembly-time-and- length mechanisms. The loss ratio decreases 50% as compared with the general optical burst switching （OBS） mechanism. The last segment can carry high quality of service （QOS） information. We can achieve that the loss ratio of the last segment is almost zero when the traffic load is less than 0.05. When the traffic load is 0.9, the loss ratio of the last segment is 0.0041. The ISOBS can support to transmit different QOS data.     

Ni2+：CsMgCl3晶体的光谱精细结构、零场分裂参量及Jahn-Teller效应

应用不可约张量理论构造了三角对称晶场中3d2/3d8态离子的45阶可完全对角化的微扰哈密顿矩阵,研究了CsNiCl3单晶掺入CsMgCl3晶体后光谱精细结构、晶体结构、零场分裂参量、Jahn-Teller效应以及自旋单重态对Ni2+离子基态能级的影响,理论与实验相符合.研究了自旋-自旋耦合作用和Trees修正对Ni2+:CsMgCl3晶体的光谱精细结构和零场分裂参量的影响,发现有五种机理会影响零场分裂参量:(1)自旋-轨道耦合机理;(2)自旋-自旋耦合机理;(3)自旋-轨道与自旋-自旋联合耦合机理;(4)自旋-轨道与Trees修正联合耦合机理,(5)自旋-自旋作用与Trees联合耦合机理.其中自旋-轨道耦合机理是最主要的,其它几种机理也是不可忽略的.     

Ni~(2 )∶CsMgCl_3晶体的光谱精细结构、零场分裂参量及Jahn-Teller效应

应用不可约张量理论构造了三角对称晶场中3d2/3d8态离子的45阶可完全对角化的微扰哈密顿矩阵,研究了CsNiCl3单晶掺入Cs MgCl3晶体后光谱精细结构、晶体结构、零场分裂参量、Jahn-Teller效应以及自旋单重态对Ni2 离子基态能级的影响,理论与实验相符合.研究了自旋-自旋耦合作用和Trees修正对Ni2 :Cs MgCl3晶体的光谱精细结构和零场分裂参量的影响,发现有五种机理会影响零场分裂参量:(1)自旋-轨道耦合机理;(2)自旋-自旋耦合机理;(3)自旋-轨道与自旋-自旋联合耦合机理;(4)自旋-轨道与Trees修正联合耦合机理,(5)自旋-自旋作用与Trees联合耦合机理.其中自旋-轨道耦合机理是最主要的,其它几种机理也是不可忽略的.     

On the mechanisms of superfluidity in atomic nuclei

A system of equations is obtained for the Cooper gap in nuclei. The system takes two mechanisms of superfluidity into account in an approximation quadratic in the phonon-production amplitude: a Bardeen-Cooper-Schrieffer (BCS)-type mechanism and a quasiparticle-phonon mechanism. These equations are solved for ¹²⁰Sn in a realistic approximation. If the simple procedures proposed are used to determine the new particle-particle interaction and to estimate the average effect, then the contribution of the quasiparticle-phonon mechanism to the observed width of the pairing gap is 26% and the BCS-type contribution is 74%. This means that at least in semimagic nuclei pairing is of a mixed nature — it is due to the two indicated mechanisms, the first being mainly a surface mechanism and the second mainly a volume mechanism. Pis’ma Zh. éksp. Teor. Fiz. 69, No. 10, 669–674 (25 May 1999)