Measurement of GaAs start duration in different solution concentration using infrared images

This paper proposes a new infrared method to measure the start duration of GaAs substrate in chemical etching. When etching starts, the temperature of liquid-film will change because of heat release in the chemical reaction. As a result, the start duration of GaAs can be tested by collecting real-time in-frared thermal images in the course of temperature variation. Both theoretical analysis and experi-mental results show that the line shape liquid film of a 2-mm width is a good monitoring subject. By making use of the grey distribution change of a certain cross section of the line shape liquid film, the start duration of reaction between GaAs and H2SO4-H202-H20 is obtained. The start durations of reac-tion between GaAs substrate and H2SO4： H202： H20 （=5：1：50 and 15：3：50） solution are about 0.2 s and 0.3-0.4 s, respectively. This result and relative method will impulse the research of wet chemical etching technology of GaAs and so on.     

The Application of Survey Study and Experimental Study to Second Language Acquisition

Survey study and experimental study are two kinds of important methods in applied linguistics.They are typically to collect quantitative data in the research of SLA.However,they are different.This paper mainly demonstrates their application to the research of SLA through the comparative analysis of these two kinds of studies.This will offer researchers a reference which study is better for their SLA research.     

Ammonia borane at high pressures

Ammonia borane has received tremendous research attention in the past decade because of its potential for chemical hydrogen storage. This paper reviews recent studies about the behavior of ammonia borane at high pressures. While much work is still needed to comprehensively understand the pressure influence on this molecular crystal, a phase diagram based on the available experimental and theoretical data is constructed. Raman spectroscopy studies indicate five transitions upon compression up to 65 GPa at ambient temperature. Diffraction experiments and theoretical studies demonstrate that three of these transitions are first-order phase transformations in the sequence of I4mm-Cmc21-P21-（different） P21, and two are iso-structural. A low-temperature phase（Pmn21） and a high-temperature high-pressure phase（Pmna） are also recognized.     

Review on the study of entanglement in quantum computation speedup

The role the quantum entanglement plays in quantum computation speedup has been widely disputed. Some believe that quantum computation's speedup over classical computation is impossible if entan-glement is absent,while others claim that the presence of entanglement is not a necessary condition for some quantum algorithms. This paper discusses this problem systematically. Simulating quantum computation with classical resources is analyzed and entanglement in known algorithms is reviewed. It is concluded that the presence of entanglement is a necessary but not sufficient condition in the pure state or pseudo-pure state quantum computation speedup. The case with the mixed state remains open. Further work on quantum computation will benefit from the presented results.     

Theoretical study of partial oxidation of ethylene by vanadium trioxide cluster cation

Density functional theory （DFT） study of reaction between vanadium trioxide cluster cation （VO3^＋） and ethylene （C2H4） to yield VO2^＋ ＋ CH3CHO （acetaldehyde） and VO2CH2^＋ ＋ HCHO （formaldehyde） is carried out. Structures of all reactants, products, intermediates, and transition state in the reaction have been optimized and characterized. The results show unexpected barriers in the reaction due to the existence of a η^2-O2 moiety in the ground state structure of VO3^＋. The initial reaction steps combining ethylene adsorption, C=C activation and O-O cleavage are proposed as rate limiting processes. Comparison of reactions of VO3^＋ ＋ C2H4 with VO3 ＋ C2H4 and VO2^＋ ＋ C2H4 in the previous studies is made in detail. The results of this work may shed light on the understanding of C=C bond cleavage in related heterogeneous catalysis.     

Bibliometric Analysis of Current Web Survey Research in China

In recent years, with the advancement of information technology and its application in survey activities, web surveys have not only greatly developed, but have also encountered many problems in China. An analysis of domestic research is important for better understanding of web surveys, to guide further research and application. This paper gives a bibliometric analysis of 120 domestic articles on web surveys from 1998 to 2006, on publication growth, author and organization distribution, journal distribution, and research subjects. Research on web surveys in China should make progress comparable with research abroad in comparative studies, specific studies, and technical application studies.     

Two Contrary States of Human Soul

William Blake is a forerunner of the romantic poet of the 19th century. This paper tends to reveal the sharp contrast shown by poems in "Songs of Innocence" and "Songs of Experience". This may help people's understanding of what Blake said "the two contrary states of human soul."     

A New Kind of Subjective Trust Model

Based on the outstanding characteristics of Cloud Model on the process of transforming a qualitative concept to a set of quantitative numerical values, a formalized model of subjective trust is introduced by which we can transform between qualitative reputation and quantitative voting data. The present paper brings forward algorithms to compute direct trust and recommender trust. Further more, an effective similarity measuring method used to distinguish two users＇ reputation on knowledge level is also proposed. The given model properly settles the uncertainty and fuzziness properties of subjective trust which is always the weakness of traditional subjective trust model, and provides a step in the direction of proper understanding and definition of human trust.     

A scheme to implement the Deutsch-Josza algorithm on a superconducting charge-qubit quantum computer

We have studied the implementation of the Deutsch-Josza quantum algorithm in a superconducting charge-qubit quantum computer. Different from previous studies, we have used the inductance coupled system of You et al. The detailed pulse sequences have been designed for the four possible functions in a 2-qubit system. The result is generalized to an arbitrary n-qubit system. This scheme will be useful for practical implementation of the algorithm.     

Potential release of hydrogen fluoride from domestic coal in endemic fluorosis area in Guizhou,China

Almost half of the total rural area of Guizhou Province and many regions within the 11 adjacent provinces in southwestern China have a long history(at least 70 years) of endemic fluorosis,including dental fluorosis and osteofluorosis along with its associated deformities and disabilities.Over decades of research,this specific type of endemic fluorosis has been defined as coal-burning fluorosis,which is distinct from drinking-water fluorosis.It is generally acknowledged that indoor burning and combustion of high-fluorine coal leads to food contamination,and fluorine then enters the human body.However,the exact chemical form of fluorine during its release and transfer to the body is still unknown.In the present study,21 domestic coal samples from outcrop and semi-outcrop coal collected in five villages with fluorosis were analyzed by time-of-flight secondary ion mass spectrometry(TOF-SIMS).The total mass fraction of sulfur in the samples ranged from 0.24%-5.58% and total fluorine content ranged 90.2-149.2 mg/kg.H3O+,H2SO4+ and HSO4-were detected in the samples by TOF-SIMS,which indicated that sulfuric acid hydrate(H2SO4.H2O) was present in the samples.F-was detected in all of these,which suggested the samples contain ionic fluorine compounds.Under certain circumstances,such as heating or burning,the prevalence and coexistence of the acid(H2SO4.H2O) and base(F-) would lead to a neutralization reaction producing volatile hydrogen fluoride(HF,bp = 19.5℃).This would be the chemical form of fluorine released from the coal.Further studies using HF and SO2 test tubes on headspace gas over coal samples heated to 200℃ in the laboratory and on headspace gas over stoves or chimney tops at rural residences confirmed the release of HF.     

Forward scattering due to slow-down of the intermediate in the H + HD --> D + H(2) reaction

Quantum dynamical processes near the energy barrier that separates reactants from products influence the detailed mechanism by which elementary chemical reactions occur. In fact, these processes can change the product scattering behaviour from that expected from simple collision considerations, as seen in the two classical reactions F + H(2) --> HF + H and H + H(2) --> H(2) + H and their isotopic variants. In the case of the F + HD reaction, the role of a quantized trapped Feshbach resonance state had been directly determined, confirming previous conclusions that Feshbach resonances cause state-specific forward scattering of product molecules. Forward scattering has also been observed in the H + D(2) --> HD + D reaction and attributed to a time-delayed mechanism. But despite extensive experimental and theoretical investigations, the details of the mechanism remain unclear. Here we present crossed-beam scattering experiments and quantum calculations on the H + HD --> H(2) + D reaction. We find that the motion of the system along the reaction coordinate slows down as it approaches the top of the reaction barrier, thereby allowing vibrations perpendicular to the reaction coordinate and forward scattering. The reaction thus proceeds, as previously suggested, through a well-defined 'quantized bottleneck state' different from the trapped Feshbach resonance states observed before.     

Observation and interpretation of a time-delayed mechanism in the hydrogen exchange reaction

Extensive theoretical and experimental studies have shown the hydrogen exchange reaction H+H2 --> H2+H to occur predominantly through a 'direct recoil' mechanism: the H--H bonds break and form concertedly while the system passes straight over a collinear transition state, with recoil from the collision causing the H2 product molecules to scatter backward. Theoretical predictions agree well with experimental observations of this scattering process. Indirect exchange mechanisms involving H3 intermediates have been suggested to occur as well, but these are difficult to test because bimolecular reactions cannot be studied by the femtosecond spectroscopies used to monitor unimolecular reactions. Moreover, full quantum simulations of the time evolution of bimolecular reactions have not been performed. For the isotopic variant of the hydrogen exchange reaction, H+D2 --> HD+D, forward scattering features observed in the product angular distribution have been attributed to possible scattering resonances associated with a quasibound collision complex. Here we extend these measurements to a wide range of collision energies and interpret the results using a full time-dependent quantum simulation of the reaction, thus showing that two different reaction mechanisms modulate the measured product angular distribution features. One of the mechanisms is direct and leads to backward scattering, the other is indirect and leads to forward scattering after a delay of about 25 femtoseconds.     

关于线性谐振子算符理论的思考

谐振子在量子力学中占有重要的地位。在一般量子力学教材中处理线性谐振子问题都是采用在坐标象中求解定态薛定谔方程的方法．这种解法繁复而冗长。而采用海森堡矩阵力学的方法,在定态情况下只需知道一个体系的哈密顿算符H和量子化条件[Hα,Pβ]=ihδαβ．便可确定它的全部性质。这种方法为在一般情况下从经典力学过渡到量子力学提供了一个标准程序即正则量子化。     

若干介观体系的散射矩阵对称性质的一些讨论

散射矩阵是刻画许多满足量子相干性介观体系的电子输运性质的重要理论工具．结合几个介观体系的量子力学散射问题,讨论了体系的对称性对散射矩阵对称性的重要影响．几个被讨论的例子包括：1）满足时间反演不变性的自旋轨道耦合体系;2）含单轴应变的石墨烯（满足中心反演对称）体系;3）含有Majorana费米子（手征Majorana粒子的一维波导模式或Majorana束缚态）的2个典型问题．从系统的对称性推导散射矩阵的对称性,进而对体系的输运性质得出一些定性的理解．在某些场合,依据散射矩阵的对称性甚至可以对体系的电子结构的拓扑性质给出预言．     

Entanglement of spin waves among four quantum memories

Quantum networks are composed of quantum nodes that interact coherently through quantum channels, and open a broad frontier of scientific opportunities. For example, a quantum network can serve as a 'web' for connecting quantum processors for computation and communication, or as a 'simulator' allowing investigations of quantum critical phenomena arising from interactions among the nodes mediated by the channels. The physical realization of quantum networks generically requires dynamical systems capable of generating and storing entangled states among multiple quantum memories, and efficiently transferring stored entanglement into quantum channels for distribution across the network. Although such capabilities have been demonstrated for diverse bipartite systems, entangled states have not been achieved for interconnects capable of 'mapping' multipartite entanglement stored in quantum memories to quantum channels. Here we demonstrate measurement-induced entanglement stored in four atomic memories; user-controlled, coherent transfer of the atomic entanglement to four photonic channels; and characterization of the full quadripartite entanglement using quantum uncertainty relations. Our work therefore constitutes an advance in the distribution of multipartite entanglement across quantum networks. We also show that our entanglement verification method is suitable for studying the entanglement order of condensed-matter systems in thermal equilibrium.     

盐酸阿米替林与固绿的相互作用及其分析应用

在弱酸性条件下,盐酸阿米替林和固绿依靠静电作用形成离子缔合物,使体系的共振光散射明显增强.据此建立了一种测定盐酸阿米替林的共振光散射法.研究了体系的紫外-可见吸收光谱和共振光散射光谱,并考察了各因素对体系的影响.在最佳条件下,体系的最大散射峰位于344 nm处.共振光散射增强的程度与盐酸阿米替林的浓度在7.50×10-3~3.75×10-2mg.mL-1之间呈良好的线性关系.该方法的检测限为1.81×10-4mg.mL-1.将方法用于片剂中盐酸阿米替林的测定,并与药典法进行了对照,经t-检验证明两种方法无显著性差异.     

Controlling inelastic light scattering quantum pathways in graphene

Inelastic light scattering spectroscopy has, since its first discovery, been an indispensable tool in physical science for probing elementary excitations, such as phonons, magnons and plasmons in both bulk and nanoscale materials. In the quantum mechanical picture of inelastic light scattering, incident photons first excite a set of intermediate electronic states, which then generate crystal elementary excitations and radiate energy-shifted photons. The intermediate electronic excitations therefore have a crucial role as quantum pathways in inelastic light scattering, and this is exemplified by resonant Raman scattering and Raman interference. The ability to control these excitation pathways can open up new opportunities to probe, manipulate and utilize inelastic light scattering. Here we achieve excitation pathway control in graphene with electrostatic doping. Our study reveals quantum interference between different Raman pathways in graphene: when some of the pathways are blocked, the one-phonon Raman intensity does not diminish, as commonly expected, but increases dramatically. This discovery sheds new light on the understanding of resonance Raman scattering in graphene. In addition, we demonstrate hot-electron luminescence in graphene as the Fermi energy approaches half the laser excitation energy. This hot luminescence, which is another form of inelastic light scattering, results from excited-state relaxation channels that become available only in heavily doped graphene.     

氟代次甲基与氧气的反应机理研究

在B3LYP/6-311G(d,p)水平上研究了CF自由基与O2反应的微观机理.对反应势能面上的各反应物、过渡态、中间体和产物的几何结构进行了全参数优化,且在QCISD/6-311G(d,p)水平上计算了它们的能量.研究发现CF+O2反应在高温过程中重要,有3个产物通道,即F+CO2、FCO+O和FO+CO,其中最有竞争力的通道为F+CO2,其次为FCO+O通道,FO+CO通道可能难发生.与CH+O2反应比较发现两者有相似的地方,如第一步都是CX(X=H或F)自由基进攻O2分子中的一个氧原子形成链状过氧化物XCOO.两反应机理也存在很多不同之处,如HCO+O和FCO+O通道的形成过程有很大的不同;两反应速率也相差较大.CH+O2反应快,CF+O2反应慢.     

Cl原子与HNCO反应机理的量子化学分析

采用MP2(Full),B3LYP,QCISD/MP2方法在6-311G(d,p)水平上对Cl原子与HNCO反应的微观机理进行了理论研究.采用MP2(Full)和B3LYP对反应位能面上的各驻点进行几何构型的全优化,振动分析和IRC计算证实了中间体和过渡态的真实性和相互连接关系.3种方法计算得到了几个反应通道的反应活化能.研究表明,Cl原子进攻HNCO中的H原子为反应的主要反应通道.     

团簇Co4P反应活性及催化性质的研究

利用团簇Co4P作为Co-P体系的局域结构,对其进行全参数优化计算,获得6种优化构型,对团簇Co4P各优化构型的化学反应活性及催化活性进行研究,得到以下结论：通过对能隙、柔度及前线轨道图综合分析,得出构型2(4)及3(2)均具有优良的化学反应活性,其中构型2(4)的化学反应活性优于3(2),且构型2(4)可作为电极材料的研究对象.不仅如此,通过态密度分析发现构型2(4)在催化反应中也具有良好活性,可作为优良的催化剂.