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Study on the atmospheric photochemical reaction of CF_3 radicals using ultraviolet photoelectron and photoionization mass spectrometer

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Science china Chemistry 2008年第4期51卷 316-321页

作者： YAO Li1,2, DU Lin1,2, YIN Shi1,2 & GE MaoFa1 1 beijing National Laboratory for Molecular sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, institute of Chemistry, chinese academy of sciences, beijing 100080, china 2 Graduate University of chinese academy of sciences, beijing 100080, china beijing National Laboratory for Molecular sciences (BNLMS) State Key Laboratory for Structural Chemistry of Unstable and Stable Species Institute of Chemistry Chinese Academy of Sciences Beijing China Graduate University of chinese academy of sciences Beijing China

A study of the atmospheric photochemical reaction of CF3 radical with CO and O2 was performed by using a homemade ultraviolet photoelectron spectrometer-photoionization mass spectrometer (PES- PIMS). The electronic structures and mechanism of ionization and dissociation of CF3OC(O)OOC(O)- OCF3 were investigated. It was indicated that the two bands on the photoelectron spectrum of CF3OC(O)OOC(O)OCF3 are the result of ionization of an electron from a lone pair of oxygen and a fluo- rine lone pair of CF3 group. The outermost electrons reside in the oxygen lone pair. The experimental and theoretical first vertical ionization energy is 13.21 and 13.178 eV, respectively, with the PES and OVGF method. They are in good agreement. The photo ionization and dissociation processes were discussed with the help of theoretical calculations and PES-PIMS experiment. After ionization, the parent ions prefer the dissociation of the C-O bond and giving the fragments CF3OCO+ and CF3+. It demonstrated that the ultraviolet photoelectron and photoionization mass spectrometer could be ap- plied widely in the study of atmospheric photochemical reaction.

关键词： photochemical reaction CF3 radical ultraviolet photoelectron and photoionization mass spectroscopy transient species

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Two mode photon bunching effect as witness of quantum criticality in circuit QED

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Science china(physics,Mechanics & Astronomy) 2009年第12期52卷 1898-1905页

作者： AI Qing1,WANG YingDan2,LONG GuiLu1,3 & SUN ChangPu4 1 Department of physics,Tsinghua University,beijing 100084,china 2 Department of physics,University of Basel,Klingelbergstrasse 82,4056 Basel,Switzerland 3 Tsinghua National Laboratory for Information Science and Technology,beijing 100084,china 4 institute of theoretical physics,chinese academy of sciences,beijing 100080,china Department of physics Tsinghua University Beijing China Department of physics University of Basel Basel Switzerland Tsinghua National Laboratory for Information Science and Technology Beijing China institute of theoretical physics Chinese Academy of Sciences Beijing China

We suggest a scheme to probe critical phenomena at a quantum phase transition (QPT) using the quantum correlation of two photonic modes simultaneously coupled to a critical system. As an experimentally accessible physical implementation,a circuit QED system is formed by a capacitively coupled Josephson junction qubit array interacting with one superconducting transmission line resonator (TLR). It realizes an Ising chain in the transverse field (ICTF) which interacts with the two magnetic modes propagating in the TLR. We demonstrate that in the vicinity of criticality the originally independent fields tend to display photon bunching effects due to their interaction with the ICTF. Thus,the occurrence of the QPT is reflected by the quantum characteristics of the photonic fields.

关键词： quantum phase transition photon bunching circuit QED

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Period-doubling bifurcations of the thermocapillary convection in a floating half zone

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Science china(physics,Mechanics & Astronomy) 2010年第9期53卷 1681-1686页

作者： AA Yan,LI Kai,TANG ZeMei,CAO ZhongHua & HU WenRui National Microgravity Laboratory,institute of Mechanics,chinese academy of sciences,beijing 100190,china National Microgravity Laboratory Institute of Mechanics Chinese Academy of Sciences Beijing China

This study experimentally explored the fine structures of the successive period-doubling bifurcations of the time-dependent thermocapillary convection in a floating half zone of 10 cSt silicone oil with the diameter d0=3.00 mm and the aspect ratio A=l/d0=0.72 in terrestrial *** onset of time-dependent thermocapillary convection predominated in this experimental configuration and its subsequent evolution were experimentally detected through the local temperature *** experimental results revealed a sequence of period-doubling bifurcations of the time-dependent thermocapillary convection,similar in some way to one of the routes to chaos for buoyant natural *** critical frequencies and the corresponding fractal frequencies were extracted through the real-time analysis of the frequency spectra by Fast-Fourier-Transfor-mation(FFT).The projections of the trajectory onto the reconstructed phase-space were also ***,the experimentally predicted Feigenbaum constants were quite close to the theoretical asymptotic value of 4.669 [Feigenbaum M *** Lett A,1979,74:375-378].

关键词： thermocapillary convection bifurcation transition to turbulence

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GAUSS-SEIDEL-TYPE MULTIGRID METHODS

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Journal of Computational Mathematics 2003年第4期21卷 421-434页

作者： Zhao-hui Huang Qian-shun Chang (academy of Mathematics and System sciences, chinese academy of sciences, beijing 100080, china) academy of Mathematics and System sciences Chinese Academy of Sciences 北京 100080

By making use of the Gauss-Seidel-type solution method, the procedure for computing the interpolation operator of multigrid methods is simplified. This leads to a saving of computational time. Three new kinds of interpolation formulae are obtained by adopting different approximate methods, to try to enhance the accuracy of the interpolatory operator. A theoretical study proves the two-level convergence of these Gauss-Seidel-type MG methods. A series of numerical experiments is presented to evaluate the relative performance of the methods with respect to the convergence factor, CPU-time(for one V-cycle and the setup phase) and computational complexity.

关键词： Multigrid methods Gauss-Seidel solution Interpolation formula Convergence.

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Optimization of mathematical models for thematic maps

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Science china(Technological sciences) 2010年第S1期53卷 15-24页

作者： QI QingWen1,ZHANG An1,JIANG LiLi1,ZOU XiuPing2,XU Li3 & CHENG Xi1,4 1 institute of Geographical sciences and Natural Resources Research,chinese academy of sciences,beijing 100101,china 2 institute of Policy and Management,chinese academy of sciences,beijing 100080,china 3 Taishan University,Taian 271021,china 4 Graduate University of chinese academy of sciences,beijing 100049,china institute of Geographical sciences and Natural Resources Research Chinese Academy of Sciences Beijing China institute of Policy and Management Chinese Academy of Sciences Beijing China Taishan University Taian China Graduate University of chinese academy of sciences Beijing China

The thematic map is a major class of maps designed to demonstrate particular features or concepts,functioning as an indispensable tool in geographical *** process of thematic mapping is one into which geographical research goes deeply and *** key activity and course of thematic map production is the use of mathematical models to create thematic data ***,the selection and optimization of mathematical models is in the forefront of thematic map *** theoretical foundations,mechanisms and methods of mathematical model optimization are expounded in this paper,including two approaches,the phase by phase mode and the multi-aim scheme balance *** studies in eco-environment mapping and emergency mapping are described and analyzed,with a hierarchical analysis method being used in the model optimization for eco-environment fragility and sensitivity assessment mapping in Beibuwan (Guangxi) District,the dynamic system (DS) method being used in the model optimization for ecological security adjustment mapping in Xishuang Banna,Yunnan province,and the multi-phase mode being used in the models for forest fire and infectious diseases mapping.

关键词： thematic map mathematic model optimization

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Methanol as a probe to investigate the relationship between the secondary electron donor TyrZ and the substrate water molecules in active photosystem Ⅱ

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chinese Science Bulletin 2010年第9期55卷 809-813页

作者： BAO Han, ZHANG ChunXi, REN YaNan & ZHAO JingQuan Laboratory of Photochemistry, beijing National Laboratory of Molecular sciences, institute of Chemistry, chinese academy of sciences, beijing 100190, china Laboratory of Photochemistry Beijing National Laboratory of Molecular Sciences Institute of Chemistry Chinese Academy of Sciences Beijing China

The secondary electron donor, TyrZ, is implicated in tuning the primary charge separation and the water oxidation in active pho-tosystem II (PSII). Two types of mechanisms have been proposed to explain the function of TyrZ. One is that TyrZ tunes the water oxidation through the direct interaction with substrate water molecules; the other is that TyrZ is located in a hydrophobic envi-ronment without interacting with H2O, and controls the water oxidation by tuning the strength of the hydrogen bond between TyrZ and His190. Here, methanol was used as a probe to study the possible relationship between TyrZ and H2O by monitoring the TyrZ oxidation and TyrZ· reduction at cryogenic temperatures with electron paramagnetic resonance spectroscopy. The oxidation of TyrZ and reduction of TyrZ· in both S2 and S0 states at 10 K were accelerated by addition of a small amount of methanol (6%). theoretical studies indicate that Tyr oxidation becomes more difficult if it interacts directly with the methanol molecule; while the decrease of the polarity of its environment accelerates the oxidation of Tyr. Accordingly, CH3OH does not directly interact with TyrZ in active PSII, and the accelerative effect of methanol is caused by the strength increase of the hydrogen bond between TyrZ and His190, resulting from the decrease of polarity of their environment after the displacement of H2O by CH3OH inside PSII. Considering the similarity between methanol and water, the results in this study support the model in which TyrZ does not interact with H2O in active PSII.

关键词： photosystem Ⅱ secondary electron donor TyrZ methanol water electron paramagnetic resonance

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Constraints of f(R) gravity in Palatini approach with observational Hubble data

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Science china(physics,Mechanics & Astronomy) 2011年第8期54卷 1378-1383页

作者： ZHAI ZhongXu & LIU WenBiao Department of physics, institute of theoretical physics, beijing Normal University, beijing 100875, china Department of physics Institute of Theoretical Physics Beijing Normal University Beijing China

We use the newly released observational H(z) data (OHD), the Cosmic Microwave Background (CMB) shift parameter, and the Baryon Acoustic Oscillation (BAO) measurements data to constrain cosmological parameters of f(R) gravity in Palatini formalism in which the f(R) form is defined as f(R) = R β/Rn. Under the assumption of a spatially flat FRW universe, we get the best fitting results of the free parameters (Ωm0, n). In the calculation, we marginalize the likelihood function over H0 by integrating the probability density P ∝ e-χ2/2 to obtain the best fitting results and the confidence regions in the Ωm0-n plane. The constraints results of (Ωm0, n) = (0.33, 0.41) by OHD only and (Ωm0, n) = (0.23, 0.08) by the combination of OHD+CMB+BAO both indicate that the universe goes through three last phases, i.e., radiation dominated, matter-dominated, and late time accelerated expansion without introduction of dark energy.

关键词： f(R) gravity OHD CMB BAO accelerating expansion dark energy

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A new principle of synthetic cascade utilization of chemical energy and physical energy

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Science china(Technological sciences) 2005年第2期48卷 163-179页

作者： JIN Hongguang1, HONG Hui1,2, WANG Baoqun1,2, HAN Wei1,2 & LIN Rumou1,2 1. institute of Engineering Thermophysics, chinese academy of sciences, beijing 100080, china 2. Graduate School of the chinese academy of sciences, beijing 100039, china institute of Engineering Thermophysics Chinese Academy of Sciences Beijing China Graduate School of the chinese academy of sciences Beijing China

We propose a new principle of the cascade utilization of both chemical energy and physical energy in energy systems with the integration of chemical processes and thermal cycles. Particularly, a general equation of energy levels of substance, Gibbs free energy of chemical reaction and physical energy is explicitly founded. On the basis of this equation, a chemical-looping combustion and an indirect combustion are investigated. Furthermore, a mechanism of energy release, with the combination of decreasing the energy level of Gibbs free energy and upgrading the energy level of low or middle- temperature thermal energy, is clarified. The promising results obtained here establish a theoretical basis for the further investigation of multi-function systems in which energy and the environment are compatible, and create a new approach to improve the performance of traditional thermal cycles.

关键词： chemical energy, cascade utilization, exergy, energy conversion.

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The information entropy of a static dilaton black hole

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Science china(physics,Mechanics & Astronomy) 2008年第2期51卷 113-125页

作者： LIU ChengZhou institute of theoretical physics, Binzhou University, Binzhou 256600, china Department of physics, beijing Normal University, beijing 100875, china institute of theoretical physics Binzhou University Binzhou China Department of physics Beijing Normal University Beijing China

In accordance with holographic principle, by calculating the statistical entropy of the quantum field just at the event horizon of the Garfinkle-Horowitz-Strominger dilaton black hole, the information entropy of the black hole was investigated and the Bekenstein-Hawking formula was obtained. The results show that black hole entropy is identical with the statistical entropy of the quantum field at the horizon. Using the generalized uncertainty relation, the divergence of the state density near the event horizon in usual quantum field theory was removed, and the cutoffs and the little mass approximation in the heat gas method of black hole entropy were avoided. Thus, the microstates of the massive scalar field just at the event horizon of the static dilaton black hole were studied directly and a description on holograph principle was presented. By using residue theorem, the integral difficulty in the calculation was overcome, and the information entropy and the Bekenstein-Hawking formula were obtained quantitatively. Compared with the black hole entropy from the loop quantum gravity, the consistency of methods and results of calculating black hole entropy in non-commutative quantum field theory and loop quantum gravity was investigated. By this, the gravity correction constant in the generalized uncertainty relation was suggested and the sense of holographic principle was discussed.

关键词： black hole entropy holographic principle non-commutative quantum field theory event horizon loop quantum gravity

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The dynamical properties of Rydberg hydrogen atom near a metal surface

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Science china(physics,Mechanics & Astronomy) 2005年第6期48卷 667-675页

作者： GE Meihua1, ZHANG Yanhui1, WANG Dehua2, DU Mengli3 & LIN Shenglu1 1. College of physics and Electronics, Shandong Normal University, Jinan 250014, china 2. Department of Mathematics and physics, Shandong institute of Architecture and Engineering, Jinan 250014, china 3. institute of theoretical physics, chinese academy of sciences, beijing 100080, china College of physics and Electronics Shandong Normal University Jinan China Department of Mathematics and physics Shandong Institute of Architecture and Engineering Jinan China institute of theoretical physics Chinese Academy of Sciences Beijing China

The dynamical properties of Rydberg hydrogen atom near a metal surface are presented by using the methods of phase space analysis and closed orbit theory. Transforming the coordinates of the Hamiltonian, we find that the phase space of the system is divided into vibrational and rotational region. Both the Poincaré surface of section and the closed orbit theory verify the same conclusion clearly. In this paper we choose the atomic principal quantum number as n = 20. The dynamical character of the exited hydrogen atom depends sensitively on the atom-surface distance d. When d is sufficiently large, the atom-surface potential can be expressed by the traditional van der Waals force and the system is integrable. When d becomes smaller, there exists a critical value dc. For d > dc, the system is near-integrable and the motion is regular. While chaotic motion appears for d < dc, and the system tends to be non-integrable. The trajectories become unstable and the electron might be captured onto the metal surface.

关键词： Rydberg hydrogen atom, van der Waals interaction, Poincaré surface of section, closed orbit theory, chaos.

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