Near-field coupling and SERS effects of palladium nanoparticle dimers

The linear optical properties and the surface-enhanced Raman scattering (SERS) effect of spherical palladium nanoparticle dimers are analyzed theoretically using generalized Mie theory. The calculation results demonstrate that the near-field coupling effect greatly influences the absorption, scattering and extinction spectra of nanoparticle dimers. The surface plasmon resonance wavelength red-shifts dramatically as the separation between nanoparticles decreases. Because of the near-field coupling between nanoparticles and the size effect, the maximum SERS enhancement factor at the ‘hot spot’ between palladium nanoparticle dimers is as high as 10⁷–10⁸, while the averaged SERS enhancement factor over the entire nanoparticle surface is in the range of 10⁵–10⁶. The deviation between the position of the peak in the extinction spectrum and the wavelength for maximum surface-averaged enhancement for the Pd nanoparticle dimers indicates that localized surface plasmon resonance has different influences on the far and near fields. These theoretical results may help to reveal the relationship between the far and near fields, as well as understand the mechanism of electromagnetic enhancement in the surface-enhanced scattering of transition metals.     

Topological analysis of methane lean premixed flame in turbulent jet flow by direct numerical simulation

Direct numerical simulation is employed to investigate the premixed jet flame of methane in lean, combined with a detailed chemical kinetics including 17 species and 58 elemental steps and distinct Lewis numbers. Cold methane-air mixture at 0.55 equivalence ratio is injected into the coflow area with 9500 Reynolds number. The coflow ambient gas is set to be the burnt gas of the methane-air mixture in main jet and temperature is assigned to be the corresponding adiabatic flame temperature 1515 K. The whole s...     

Temperature variability since A.D. 1837 inferred from tree-ring maximum density of <Emphasis Type="Italic">Abies fabri</Emphasis> on Gongga Mountain,China

Two tree-ring MXD (maximum latewood density) chronologies of Abies fabri were developed from the eastern slopes of Gongga Mountain, and a regional chronology (RC) was established based on the two MXD chronologies. There were significant positive correlations between the three MXD chronologies and August–September temperature, and the RC had the highest correlation (r=0.733, n=48, P<0.001) with mean August–September temperature. Based on growth-climate analyses, we reconstructed mean August–September temperature during the past 171 years for the study area. The reconstruction explained 53.5% of the instrumental temperature variance during the period 1960–2007 (F=52.8, R²_adj =52.4%). In the past 171 years, there were 22 very warm years and 23 very cold years, four cold periods (1837–1842, 1884–1891, 1899–1905 and 1984–1989) and three warm periods (1966–1973, 1916–1924 and 1876–1881). Our reconstruction was validated by other tree ring-based temperature reconstructions from the surrounding area and documented climate disaster events.     

Determination of the controlled landing trajectory of Chang’E-1 satellite and the coordinate analysis of the landing point on the Moon

Based on the tracking observations of radio ranges and VLBI delays of Chang’E-1 (CE-1) satellite during the controlled landing on the Moon on March 1, 2009, the landing trajectory and the coordinates of the landing point are determined by positioning analysis. It is shown that the landing epoch (the emission epoch of the last signal) of CE-1 satellite on the Moon was at UTC8h13m6.51s. The lunar longitude, latitude and surface height of the landing point in the lunar primary axes frame are respectively 52.27...     

Investigation on the mechanism of convective heat and mass transfer with double diffusive effect inside a complex porous medium using lattice Boltzmann method

A new lattice Boltzmann model is proposed for the coupling of multi-physics in natural convection by introducing another distri-bution function to represent the scalar transport of mass and an additional source term on the right hand side of the lattice Boltzmann equation (LBE) based on the TD2G9 model. According to the Boussinesq assumption and considering the coupled diffusive effect, the governing equations for the coupling of multi-physics in natural convection is proposed based on the non-equilibrium thermodynamic theory. Combined with the algorithm for the reconstruction of a porous medium, this model is used to investigate the coupled heat and mass transfer under multi-physics of natural convection inside a porous medium at the pore scale. The characteristic of profiles of dimensionless velocity, temperature and concentration are shown graphically for different values of Rayleigh number (Ra) and porosity. Furthermore, the influence of the temperature gradient on the mass transfer inside a porous medium has been examined numerically. Thus, the mechanism of the coupled heat and mass transfer inside a porous medium is investigated numerically at the pore scale innovatively.     

Qualitative and quantitative relationships between affinity constants from model study and real adsorption data

Linear polymers bearing the same functional groups as their corresponding adsorbents could be used as models to study the ad-sorption behaviors. However, the relationships between the data from model study and real adsorption have not been fully interpreted. In this work, three adsorbent (CP1-Zn²⁺, CP2-Zn²⁺ and CP3-Zn²⁺) and their corresponding linear models (P1-Zn²⁺, P2-Zn²⁺ and P3-Zn²⁺) were synthesized. The affinity constants (Ka) between these models and target peptide DFLAE (DE5) were obtained by isothermal titration calorimetry (ITC). Adsorption capacities and adsorption affinities were carried out by static adsorption and adsorption isotherm. The qualitative and quantitative relationships between affinity constants from model study and the real ad-sorption data were explored. This study was significant to bridge the model study with the real adsorption.     

Geochemical characteristics of light hydrocarbons in natural gases from the Turpan-Hami Basin and identification of low-mature gas

Theoretical and practical knowledge regarding low-mature gasses is of significant importance to identifying potential natural gas resources. Light hydrocarbon parameters and C and H isotopes are useful tools to identify low-mature gas. Twenty gas samples were collected from the Turpan-Hami Basin for light hydrocarbon analyses. The results showed that the light hydrocarbon components of natural gases contain high methylcycloxane, high isoparaffin and low benzene. This implies that the gas-generating parent materials are of typical humus type and the paleoenvironment is a fresh water sedimentary environment. These features are consistent with the geological setting of the basin. Comparative studies of isoheptane, heptane, and the carbon isotopic compositions of methane in natural gases, and other maturity indices indicated that natural gases in the Turpan-Hami Basin are dominated by low-mature gas formed during the low evolution stage of Jurassic coal seams. The parent materials are of type III, and the maturation degree was in the low evolution stage. These are the fundamental characteristics of low-mature gas. Results of light hydrocarbon research provided further evidence to suggest that the Turpan-Hami Basin is a large-scale gas producer of low-mature gas in China. It is likely that this resource will play an important role in future exploration and development of low-mature gas in China.     

The Self-Organization of Time and Causality: Steps Towards Understanding the Ultimate Origin

Possibly the most fundamental scientific problem is the origin of time and causality. The inherent difficulty is that all scientific theories of origins and evolution consider the existence of time and causality as given. We tackle this problem by starting from the concept of self-organization, which is seen as the spontaneous emergence of order out of primordial chaos. Self-organization can be explained by the selective retention of invariant or consistent variations, implying a breaking of the initial symmetry exhibited by randomness. In the case of time, we start from a random graph connecting primitive “events”. Selection on the basis of consistency eliminates cyclic parts of the graph, so that transitive closure can transform it into a partial order relation of precedence. Causality is assumed to be carried by causal “agents” which undergo a more traditional variation and selection, giving rise to causal laws that are partly contingent, partly necessary.     

Development (and Evolution) of the Universe

I distinguish Nature from the World. I also distinguish development from evolution. Development is progressive change and can be modeled as part of Nature, using a specification hierarchy. I have proposed a ‘canonical developmental trajectory’ of dissipative structures with the stages defined thermodynamically and informationally. I consider some thermodynamic aspects of the Big Bang, leading to a proposal for reviving final cause. This model imposes a ‘hylozooic’ kind of interpretation upon Nature, as all emergent features at higher levels would have been vaguely and episodically present primitively in the lower integrative levels, and were stabilized materially with the developmental emergence of new levels. The specification hierarchy’s form is that of a tree, with its trunk in its lowest level, and so this hierarchy is appropriate for modeling an expanding system like the Universe. It is consistent with this model of differentiation during Big Bang development to view emerging branch tips as having been entrained by multiple finalities because of the top-down integration of the various levels of organization by the higher levels.     

Inclusion variations and calcium treatment optimization in pipeline steel production

SiCa line and SiCaBaFe alloy were injected into liquid pipeline steel at the end of LF refining as calcium treatment, and samples were taken from the ladles, mould, and slabs. Analysis of Ca content and inclusions shows that Ca content in steel decreases obviously in the following process after calcium treatment; the compositions, morphology, and sizes of inclusions also vary much in the production; primary inclusions in the ladles prior to calcium treatment are mainly Al₂O₃ inclusions, but they turn to fine irregular CaS-CaO-Al₂O₃ compound inclusions after the treatment, then become fine globular CaO-Al₂O₃ inclusions in the mould, and finally change to a few larger irregular CaS-CaO-Al₂O₃ complex inclusions in the slabs. Thermodynamic study reveals that inclusion variations are related with the preferential reactions among Ca, Al₂O₃, and S and the precipitation of S in CaO-Al₂O₃ inclusions with high sulfur capacity. New evaluation standards for calcium treatment in high-grade pipeline steel were put forward according to the inclusion variations and requirements of pipeline steel on inclusion controlling, and the calcium process was studied and optimized.