Analysis of the xuv photoabsorption spectrum of Au2+, Au3+, and Au4+

The photoabsorption processes of Au2+, Au3+, and Au4+ have been investigated experimentally and theoretically in the 70-127 eV region. Using the dual laser-produced plasma technique, the 4f and 5p photoabsorption spectrum has been recorded at 50 ns time delay and was found to be dominated by a great number of lines from 4f-5d, 6d and 5p-5d, 6s transitions, which have been identified by comparison with the aid of Hartree-Fock with configuration interaction calculations. The characteristic feature of the spectrum is that satellite lines from excited configurations containing one or two 6s electrons are more important than resonance lines, and with increasing ionization, satellite contributions from states with one 6s spectator electron gradually become more important than those with two 6s spectator electrons. Based on the assumption of a normalized Boltzmann distribution among the excited states and a steady-state collisional-radiative model, we succeeded in reproducing a spectrum which is in good agreement with experiment.

Theoretical analysis of xuv photoabsorption spectra of laser-produced iodine plasmas

The 4d photoabsorption spectra of I2+, I3+, and I4+ have been obtained in the 70-127 eV region with the dual laser-produced plasma technique at time delays ranging from 400 to 520 ns. With decreasing time delay, the dominant contribution to the spectra evolves from the I2+ to the I4+ ions, and each spectrum contains discrete 4d-nf transitions and a broad 4d-epsilon f shape resonance, which are identified with the aid of multiconfiguration Hartree-Fock calculations. The excited states decay by direct autoionization involving 5s or 5p electrons, and rates for the different processes and resulting linewidths were calculated. With increasing ionization, the 4d-epsilon f shape resonance become intense and broader in going from I2+ to I3+, and then vanishes at I5+. In addition, the discrete structure of the calculated spectrum of each ion gradually approaches the corresponding shape resonance position. Based on the assumption of a normalized Boltzmann distribution among the excited states and a steady-state collisional-radiative model, we reproduced spectra which are in good agreement with experiment.

Asymmetric heat conduction through a weak link

We study the heat conduction of two nonlinear lattices joined by a weak harmonic link. When the system reaches a steady state, the heat conduction of the system is decided by the tunneling heat flow through the weak link. We present an analytical analysis by the combination of the self-consistent phonon theory and the heat tunneling transport formalism, and then the tunneling heat flow can be obtained. Moreover, the nonequilibrium molecular dynamics simulations are performed and the simulations results are consistent with the analytical predictions.

Propulsive performance of a hypergolic H2O2/kerosene bipropellant

Hydrogen peroxide (H2O2)/kerosene is a prospective bipropellant due to its high-energy content, high storage density, and environmentally benign properties. The possibility of making it hypergolic renders this option even more attracting. Self-ignitable H2O2/kerosene bipropellants were prepared by combining different candidate catalysts and promoters. Preliminary screening evaluations were conducted by using a dropping-test method. Propulsive performances of the combinations having passed satisfying dropping-test requirements were then investigated on a specially designed thrust engine. The results revealed that short ignition delay and reliable propulsion performances could be acquired in both steady-state and pulse-mode operations, and the combination of kerosene with additives and H2O2 of 90% concentration could still have good performances after 3 months storage time. It is expected that the combination of H2O2 and kerosene can be an efficacious alternative for storable toxic propellants used currently.

Gas permeability of a novel cellulose membrane

A novel cellulose membrane was prepared by using amine oxides as the solvent and its mechanical performance was measured. Steady-state permeation rates of carbon dioxide, hydrogen, methane, nitrogen, oxygen, argon and helium in the homogeneous dense cellulose membrane were measured in the temperature range of 298-353 K and under gas pressures up to 1 MPa. The effect of swelling on hydrophilic membrane permeability was studied in some detail on the cellulose membrane. The difference in gas permeability between the "dry" cellulose membrane and the "water-swollen" cellulose membrane was investigated, and the gas permeability between the cellulose membrane and the Cellophane was compared. In this paper, the separation performance Of CO2 over H-2 in a "water-swollen" cellulose membrane is reported for the first time and the separation factor Of CO2/H-2 can be up to 15. (C) 2002 Elsevier Science B.V. All rights reserved.

Determination of photochemically produced hydroxyl radicals in seawater and freshwater

A variety of short-lived, reactive chemical species (i.e. free radicals and excited state species) are known to be photochemically produced in natural waters. Some of these transients may strongly affect chemical and biological processes, and they have been implicated in the degradation of organic pollutants and natural organic compounds in aqueous environments. Previous studies demonstrated that the highly reactive hydroxyl radical (OH) is photochemically formed in seawater. However, the quantitative importance of this key species in the sea has not been previously studied because of past analytical limitations. By using a highly sensitive probe based on α-H atom abstraction from methanol, we were able to measure production rates and steady-state concentrations of photochemically produced OH radicals in coastal and open ocean seawater and freshwaters. The validity of the method was tested by intercalibrating with an independent, OH-specific reaction, hydroxylation of benzoic acid, and also by competition kinetics experiments. Our OH production rates and steady-state concentrations for freshwaters are in excellent agreement with those measured by previous investigators for similar waters. In contrast, for seawater, the values we measured are 1–3 orders of magnitude higher than previously predicted by models, indicating that there is a major unknown photochemical OH source (s) in seawater.

A mathematical model of crevice and pitting corrosion—I. The physical model

A predictive and self-consistent mathematical model incorporating the electrochemical, chemical and ionic migration processes characterizing the propagation stage of crevice and pitting corrosion in metals is described. The model predicts the steady-state solution chemistry and electrode kinetics (and hence metal penetration rates) within an active corrosion cavity as a function of the many parameters on which these depend, such as external electrode potential and crevice dimensions. The crevice is modelled as a parallel-sided slot filled with a dilute sodium chloride solution. The cavity propagation rates are found to be faster in the case of a crevice with passive walls than one with active walls. The distribution of current over the internal surface of a crevice with corroding walls can be assessed using this model, giving an indication of the future shape of the cavity. The model is extended to include a solid hydroxide precipitation reaction and considers the effect of consequent changes in the chemical and physical environment within the crevice on the predicted corrosion rates. In this paper, the model is applied to crevice and pitting corrosion in carbon steel.

Studies on interaction of bovine serum albumin with indo-1 by fluorescence spectroscopic method

The binding-site number was calculated by using fluorescence spectroscopic method with bovine serum albumin(BSA) and Indo-1 as protein and ligand models, respectively. The method for calculating binding-site number in BSA for Indo-1 was developed based on the relationships between the changes of Indo-1 fluorescence intensity and the analytical concentration of BSA. And the interaction of BSA with Indo-1 was investigated comprehensively by using fluorescence techniques as well as fluorescence resonance energy transfer, and the thermodynamic parameters were calculated according to the changes of enthalpy on temperature.,

Kinetic study of formic acid oxidation on carbon supported Pd electrocatalyst

The oxidation of formic acid at the Pd/C catalyst electrode is a completely irreversible kinetic process with the reaction order of 1.0. The oxidation rate of formic acid is increased with increasing the concentration of formic acid and is decreased with increasing H+ concentration. The apparent negative reaction order with respect to H+ is about -0.18 or -0.04 in H2SO4 or HClO4 solution respectively, because bisulfate anions would inhibit formic acid oxidation at some extent. The kinetic parameters, charge transfer coefficient and the diffusion coefficient of formic acid were obtained under the quasi steady-state conditions.

Robustness and Coherence of a Three-Protein Circadian Oscillator: Landscape and Flux Perspectives

Three-protein circadian oscillations in cyanobacteria sustain for weeks. To understand how cellular oscillations function robustly in stochastic fluctuating environments, we used a stochastic model to uncover two natures of circadian oscillation: the potential landscape related to steady-state probability distribution of protein concentrations; and the corresponding flux related to speed of concentration changes which drive the oscillations. The barrier height of escaping from the oscillation attractor on the landscape provides a quantitative measure of the robustness and coherence for oscillations against intrinsic and external fluctuations. The difference between the locations of the zero total driving force and the extremal of the potential provides a possible experimental probe and quantification of the force from curl flux. These results, correlated with experiments, can help in the design of robust oscillatory networks.

有机半导体中载流子迁移率的测量方法

本文简要地介绍了有机半导体中载流子迁移率的几种模型,着重阐述了测量有机半导体中载流子迁移率的各种方法的测试原理。主要有如下几种:稳态(CW)直流电流-电压特性法(steady-state DC JV),飞行时间法(time of flight,TOF),瞬态电致发光法(transient electroluminescence,transient EL),瞬态电致发光法的修正方法即双脉冲方波法和线性增压载流子瞬态法(carrier extraction by linearly increasing voltage,CELIV),暗注入空间电荷限制电流(dark injection space charge limited current,DI SCLC),场效应晶体管方法(field-effect transistor,FET),时间分辨微波传导技术(time-resolved microwave conductivity technique,TRMC),电压调制毫米波谱(voltage-modulated millimeter-wave spectroscopy,VMS)光诱导瞬态斯塔克谱方法(photoi...

Effect of doped dye on the charge-carrier transport and electroluminescent performance in molecularly doped polymer light-emitting diodes

The effects of the concentration of 10-(2-benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H, 5H, 11H-(1)-benzopyropyrano(6, 78-i,j)quinolizin-11-one (C545T) as dopant in polyfluorene (PFO) on the charge-carrier transport and electroluminescence (EL) performance were investigated by steady-state and transient EL measurements. A fully green emission from C545T was observed and the EL performance depends strongly on the C545T concentration. The mobility in the C545T-doped PFO film was determined by transient EL. The dopant concentration dependence of the current-voltage relationship indicated clearly the carrier trapping by the C545T molecules. The mobility in C545T:PFO changed significantly with the C545T concentration, and showed a nontrivial dependence on the doping level. The behavior may be understood in terms of the formation of an additional energy disorder due to potential fluctuation caused by the Coulomb interaction of the randomly distributed doping molecules.

Effects of doped dye on the charge carrier injection, transport, and electroluminescent performance in polymeric light-emitting diodes

The effects of doped fluorescent dye 4-(dicyanomethylene)-2-i-propyl-6-(1, 1, 7, 7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTI) on the charge carrier injection, transport and electroluminescence (EL) performance in polyfluorene (PFO)-based polymer light-emitting diodes (PLEDs) were investigated by steady-state current-voltage (I-V) characteristics and transient EL measurements. A red EL from DCJTI was observed and the EL performance depended strongly on the DCJTI concentration. The analysis of the steady-state I-V characteristics at different DCJTI concentrations found that three regions was shown in the I-V characteristics, and each region was controlled by different processes depending on the applied electric field. The effect of the dopant concentration on the potential-barrier height of the interface is estimated using the Fowler-Nordheim model. The dopant concentration dependence of the current-voltage relationship indicated clearly the carrier trapping by the DCJTI molecules. The mobility in DCJTI: PFO changed significantly with the DCJTI concentration, and showed a nontrivial dependence on the doping level. The behavior may be understood in terms of the formation of an additional energy disorder due to potential fluctuation caused by the Coulomb interaction of the randomly distributed doping molecules.

Potential energy landscape and robustness of a gene regulatory network: Toggle switch

Finding a multidimensional potential landscape is the key for addressing important global issues, such as the robustness of cellular networks. We have uncovered the underlying potential energy landscape of a simple gene regulatory network: a toggle switch. This was realized by explicitly constructing the steady state probability of the gene switch in the protein concentration space in the presence of the intrinsic statistical fluctuations due to the small number of proteins in the cell. We explored the global phase space for the system. We found that the protein synthesis rate and the unbinding rate of proteins to the gene were small relative to the protein degradation rate; the gene switch is monostable with only one stable basin of attraction. When both the protein synthesis rate and the unbinding rate of proteins to the gene are large compared with the protein degradation rate, two global basins of attraction emerge for a toggle switch. These basins correspond to the biologically stable functional states. The potential energy barrier between the two basins determines the time scale of conversion from one to the other. We found as the protein synthesis rate and protein unbinding rate to the gene relative to the protein degradation rate became larger, the potential energy barrier became larger. This also corresponded to systems with less noise or the fluctuations on the protein numbers.

Quantifying robustness and dissipation cost of yeast cell cycle network: The funneled energy landscape perspectives

We study the origin of robustness of yeast cell cycle cellular network through uncovering its underlying energy landscape. This is realized from the information of the steady-state probabilities by solving a discrete set of kinetic master equations for the network. We discovered that the potential landscape of yeast cell cycle network is funneled toward the global minimum, G1 state. The ratio of the energy gap between G1 and average versus roughness of the landscape termed as robustness ratio ( RR) becomes a quantitative measure of the robustness and stability for the network. The funneled landscape is quite robust against random perturbations from the inherent wiring or connections of the network. There exists a global phase transition between the more sensitive response or less self-degradation phase leading to underlying funneled global landscape with large RR, and insensitive response or more self-degradation phase leading to shallower underlying landscape of the network with small RR. Furthermore, we show that the more robust landscape also leads to less dissipation cost of the network. Least dissipation and robust landscape might be a realization of Darwinian principle of natural selection at cellular network level. It may provide an optimal criterion for network wiring connections and design.