Coulomb blockade in molecular quantum dots

The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic electrodes via potential barriers. Based on this model, we calculate nonlinear transport characteristics (conductance-voltage and current-voltage dependences) and compare them with the results obtained within a self-consistent field approach. It is shown that the shape of transport characteristics is determined by the combined effect of the electronic structure of molecular quantum dots and by the Coulomb blockade. In particular, the following phenomena are discussed in detail: the suppression of the current at higher voltages, the charging-induced rectification effect, the charging-generated changes of conductance gap and the temperature-induced as well as broadening-generated smoothing of current steps.     

Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts

Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO₂(111) support. Significant electron transfer from the Pt particle to the CeO₂(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO₂ surface is a main reason for the strong interaction of the Pt particle and CeO₂(111) support.     

Validation of an optimization procedure to improve low frequency characteristics of rooms

A set of experiments was carried out to validate an optimization procedure based on finite element method (FEM). The idea of the procedure, fully presented in previous edition of this journal [Zhu X, Zhu Z, Cheng J. Using optimized surface modifications to improve low frequency response in a room. Appl Acoust 2004;65:841-60], is to produce an optimal geometry modification on the wall for improving low frequency sound uniformity in small rooms. Four experimental models were set up with a scale of 1:5. One was modified according to the optimized result and the others were treated with no optimization consideration. Measured frequency responses of four rooms were compared with numerical results calculated by FEM models. The transient responses in these rooms were also measured and analyzed. The agreements between calculation and measurement are satisfactory though the discrepancies due to the uncertainty of acoustic behavior of the room boundaries remain. The optimization procedure has been supported by the results that the optimized room produces the flattest frequency response and also the most smooth energy decay within the frequency range studied. The reductions of response fluctuation have reached 4.3 dB for prediction and 2.6 dB for measurement, respectively.     

紧矩阵量子群G的余表示与其对偶量子群(A)的关系

设 G=（A,△）为紧矩阵量子群,G为A的所有有限维光滑的、不可约余表示等价类的集合.本文通过（A,△）的一个余表示Vo构造了两个相互配对的集合,利用Hilbert C＊-模的理论证明它们分别为A和Baaj与Skandalis构造的量子群A,并且证明了对任意的α∈G,在A中都对应一个有限维投影算子Pα,满足 dim（α）=dim（pα）.     

教学研究:介绍量子力学几个基本概念——兼答《关于量子几何相位的评注》中的几个主要问题

介绍了量子绝热定理的物理含义及成立的条件，认为有关主要献（Aharonov-Anandan,Bohm，孙昌璞等）的表述是正确的，而《关于量子几何相位的评注》^[1]（以下简称《评注》）相应的表述不完全正确。在此基础上，认为这些献和教材（R.Shankar)得出的涉及Berry绝热相位的一些论述（不含Berry绝热相因子的瞬时能量本征态不满足含时Schroedinger方程等）也是正确的，而《评注》的论述与此相反。《评注》认为只有γn(C)才是Berry相位。本作则倾向于把γn（t）叫做Berry绝热相位，而把γn（C）=γn（T）-γn（0）叫做几何相位（geometric phase)^[2]。     

Quantum Cosmology in CGBD Theory

We apply the theory developed in quantum cosmology to a model of charged generalized Brans–Dicke gravity. This is a quantum model of gravitation interacting with a charged Brans–Dicke type scalar field which is considered in the Pauli frame. The Wheeler–DeWitt equation describing the evolution of the quantum Universe is solved in the semiclassical approximation by applying the WKB approximation. The wave function of the Universe is also obtained by applying both the Vilenkin-like and the Hartle–Hawking-like boundary conditions. We then make predictions from the wave functions and infer that the Vilenkin's boundary condition is more reasonable in the Brans–Dicke gravity models leading a large vacuum energy density at the beginning of the inflation.     

Climbing Mount Scalable: Physical Resource Requirements for a Scalable Quantum Computer

The primary resource for quantum computation is Hilbert-space dimension. Whereas Hilbert space itself is an abstract construction, the number of dimensions available to a system is a physical quantity that requires physical resources. Avoiding a demand for an exponential amount of these resources places a fundamental constraint on the systems that are suitable for scalable quantum computation. To be scalable, the effective number of degrees of freedom in the computer must grow nearly linearly with the number of qubits in an equivalent qubit-based quantum computer.     

Determination of the boiling point distribution of sulfur compounds in light cycle oil using GC with a flame photometric detector and pyrolyzer

A method has been developed to determine the boiling point distribution of sulfur compounds in light cycle oils (LCO'S). The method chosen for this analysis was GC with a flame photometric detector (FPD) and pyrolyzer. Tests were carried out to evaluate the recovery efficiency, repeatability, and accuracy of the method. Repeatabilities within 2% were obtained. The recovery of benzothiophenes and dibenzothiophenes was close to 100%; this was important because these are the major sulfur components in LCO's. No hydrocarbon or solvent interferences were observed with the use of the pyrolyzer, even for a 95% solvent level. Comparison with results from other techniques showed that the method accurately determined the levels of sulfur compounds in the LCO boiling point range.     

Physics with large extra dimensions

The recent understanding of string theory opens the possibility that the string scale can be as low as a few TeV. The apparent weakness of gravitational interactions can then be accounted by the existence of large internal dimensions, in the sub-millimeter region. Furthermore, our world must be confined to live on a brane transverse to these large dimensions, with which it interacts only gravitationally. In my lecture, I describe briefly this scenario which gives a new theoretical framework for solving the gauge hierarchy problem and the unification of all interactions. I also discuss a minimal embedding of the standard model, gauge coupling unification and proton stability. On leave from: Centre de Physique Théorique, Ecole Polytechnique, 91128 Palaiseau, Cedex, France.     

Search for cosmic γ-ray bursts in the (1÷50) GeV energy range

Summary A search for cosmic gamma-ray bursts in the GeV energy range has been performed by means of the EAS-TOP Extensive Air Shower array at Campo Imperatore (Gran Sasso Laboratories) during the period March–December 1990. In 2566.5 hours of measurement the obtained upper limit to the rate of bursts of amplitude >2% of the cosmic-ray intensity and time duration τ=1 s, isR≤7.9y⁻¹ (90% c.l.). Assuming for γ-rays a differential energy spectrumS(E ₀ )≈E ₀ ^−2.5 , the corresponding upper limit to the energy flux of γ-rays with energy >5 GeV in bursts of duration τ≤1 s is Φ<8.3·10⁻⁵erg cm⁻².