A GIS plug-in for Bayesian belief networks: Towards a transparent software framework to assess and visualise uncertainties in ecosystem service mapping

The complexity and spatial heterogeneity of ecosystem processes driving ecosystem service delivery require spatially explicit models that take into account the different parameters affecting those processes. Current attempts to model ecosystem service delivery on a broad, regional scale often depend on indicator-based approaches that are generally not able to fully capture the complexity of ecosystem processes. Moreover, they do not allow quantification of uncertainty on their predictions. In this paper, we discuss a QGIS plug-in which promotes the use of Bayesian belief networks for regional modelling and mapping of ecosystem service delivery and associated uncertainties. Different types of specific Bayesian belief network output maps, delivered by the plug-in, are discussed and their decision support capacities are evaluated. This plug-in, used in combination with firmly developed Bayesian belief networks, has the potential to add value to current spatial ecosystem service accounting methods. The plug-in can also be used in other research domains dealing with spatial data and uncertainty.     

Synergistic effect of co-alloying elements on site preferences and elastic properties of Ni3Al: A first-principles study

The site preferences of co-alloying elements (Mo–Ta, Mo–Re, Mo–Cr) in Ni₃Al are studied using first-principles calculations, and the effects of these alloying elements on the elastic properties of Ni₃Al are evaluated by elastic property calculations. The results show that the Mo–Ta, Mo–Re and Mo–Cr atom pairs all prefer Al–Al sites and the spatial neighbor relation of substitution sites almost has no influence on the site preference results. Furthermore, the Young's modulus of Ni₃Al increases much higher by substituting Al–Al sites with co-alloying atoms, among which Mo–Re has the best strengthening effect. The enhanced chemical bondings between alloying atoms and their neighbor host atoms are considered to be the main strengthening mechanism of the alloying elements in Ni₃Al.     

Theoretical study of the structural,elastic and thermodynamic properties of chalcopyrite ZnGeP2

The structural, elastic, and thermodynamic properties of ZnGeP₂ with chalcopyrite structure are investigated using the pseudo-potentials plane wave method based on the density functional theory with the generalized gradient approximation. The lattice parameters (a, c and u) are directly calculated and agree well with previous experimental and theoretical results. The obtained negative formation enthalpy shows that ZnGeP₂ crystal has strong structural stability. We have also calculated the bulk modulus B and the elastic parameters (C₁₁, C₁₂, C₁₃, C₃₃, C₄₄, and C₆₆) which have not been measured yet. The accuracy and reliability of the calculated elastic constants of ZnGeP₂ crystal are discussed. In addition, the pressure and temperature dependencies of the lattice parameters, bulk modulus, Debye temperature, Grüneisen parameter, entropy, volume thermal expansion coefficient, and specific heat capacity are obtained in the ranges of 0–20 GPa and 0–1200 K using the quasi-harmonic Debye model. To our knowledge this is the first quantitative theoretical prediction of the thermodynamic properties for ZnGeP₂ compound and still awaits experimental confirmations.     

Understanding silica-supported metal catalysts: Pd/silica as a case study

Supported metal catalysts, particularly noble metals supported on SiO₂, have attracted considerable attention due to the importance of the silica–metal interface in heterogeneous catalysis and in electronic device fabrication. Several important issues, e.g., the stability of the metal–oxide interface at working temperatures and pressures, are not well-understood. In this review, the present status of our understanding of the metal–silica interface is reviewed. Recent results of model studies in our laboratories on Pd/SiO₂/Mo(1 1 2) using LEED, AES and STM are reported. In this work, epitaxial, ultrathin, well-ordered SiO₂ films were grown on a Mo(1 1 2) substrate to circumvent complications that frequently arise from the silica–silicon interface present in silica thin films grown on silicon.     

Contributions of higher order terms to nonlinear waves in fluid-filled elastic tubes: strongly dispersive case

In the present work, employing the nonlinear equations of an incompressible, isotropic and elastic thin tube and the approximate equations of an incompressible inviscid fluid, and then utilizing the modified reductive perturbation technique presented by us [15] the amplitude modulation of weakly nonlinear waves is examined. It is shown that the first order term in the perturbation expansion is governed by a nonlinear Schrödinger equation and the second order term is governed by the linearized Schrödinger equation with a nonhomogeneous term. In the longwave limit a travelling wave type of solution to these equations are also given.     

弹性波衍射CT

本文直接从等价于弹性动力学Ｎａｖｉｅｒ方程的耦合齐次与非齐次矢量波动方程组出发，围绕弹性波衍射ＣＴ展开了理论研究，尤其是其非齐次方程含有震源项，同时适合Ｐ波和Ｓ波，考虑爆炸震源，引进塑性半径，运用张量运算，推导了Ｂｏｒｎ近似下散射波谱与目标函关系，得到二种数据采集方式下的层析成像ＦＢＰ公式，可同时适用于Ｐ波和Ｓ波，尽管与以往不涉及震源项的结果相似，但本结果更符合地震勘探情况。     

Nitric oxide reduction and carbon monoxide oxidation over carbon-supported copper-chromium catalysts

Carbon supported copper-chromium catalysts are shown to be very active for both the reduction of nitric oxide with carbon monoxide and the oxidation of carbon monoxide with oxygen. Mixed copper-chromium oxide active phases have good activity in the simultaneous removal of nitric oxide and carbon monoxide from exhaust gases. The influence of several catalyst variables has been investigated. The activity per volume of catalyst increases with increasing loading, while the intrinsic activity shows a maximum around C/M=100−50. An optimum catalyst for nitric oxide reduction and carbon monoxide oxidation has a copper/chromium ratio of 2/1. The apparent activation energy for the carbon monoxide oxidation over carbon supported copper-chromium catalysts is 77 kJ/mol, suggesting that the Cu---O bond rupture is the rate-limiting process. The reduction of nitric oxide takes place at higher temperatures. Since all catalysts have a low selectivity for molecular nitrogen formation at lower temperatures, the dissociation of nitric oxide is probably rate determining, resulting in a slightly reduced catalyst system. In an excess of carbon monoxide the reaction is first-order in nitric oxide and zero-order in carbon monoxide. Moisture inhibits the reaction by reversible competitive adsorption, whereas carbon dioxide does not. Oxygen completely inhibits the reduction of nitric oxide due to the more rapid reoxidation of the catalytic sites compared to nitric oxide. Therefore, the reduction of nitric oxide takes place only when all oxygen has been converted and, hence, is shifted to higher temperatures. As a possible consequence, the production of nitrous oxide is reduced. Nitric oxide and molecular oxygen react preferentially with carbon monoxide, so, in an excess of oxidizing component, gasification of the carbon support occurs at higher temperatures after carbon monoxide has been completely consumed.     

弹性住宅建设势在必行

本文针对我国住宅建设的基本状况 ,提出建设高度灵活的弹性住宅势在必行 ,并从以人为本的角度出发强调居民环境意识的重要性。本文后半部提出了弹性住宅的一些设想 ,借此文呼吁建筑界进一步研究弹性住宅的一系列理论问题 ,力求我国住宅建设在二十一世纪保持不败的活力     

Immobilization and activation of vanadium(III) and titanium(III) single‐site catalysts for ethylene polymerization using MgCl2‐based supports

Significant increases in the activity of vanadium(III) amidinate catalysts for ethylene polymerization have been obtained by immobilization on a MgCl₂‐based support prepared by reaction of AlEt₃ with a MgCl₂/ethanol adduct. Catalyst immobilization and activation on this type of support prevents the rapid decay in activity observed under homogeneous polymerization conditions with unsupported catalysts. Stable polymerization activity is also observed with analogous titanium(III) complexes. Polyethylene with narrow molecular weight distribution and spherical particle morphology is obtained without reactor fouling. Copyright © 2005 Society of Chemical Industry