Calculation on the CO2 influences on the structure,stability of (MgO)m (m = 1–6) clusters

ABSTRACT

The concentration of carbon dioxide (CO₂) has a significant influence on the morphology of thermal decomposition products of magnesite. So, structures, stabilities and adsorption mechanisms of (MgO)_m (m?=?1–6) clusters by one or two CO₂ molecules were calculated by the GGA-PW91 method. The results show that the stability of the considered clusters is (MgO)_m(CO₂)₂ clusters > (MgO)_m(CO₂) clusters > (MgO)_m clusters by the average binding energy. Certain low-lying isomers of (MgO)_m(CO₂) and (MgO)_m(CO₂)₂ clusters which have an isolated O atom are deviating from the cluster center which possess higher kinetic activity. (MgO)_m clusters prefer to adsorb a CO₂ molecule, while (MgO)₃(CO₂) clusters prefer to adsorb a CO₂ molecule rather than the neighbors. Magnesite is difficult to transit to (MgCO₃)₂ clusters at room temperature. However, magnesite will spontaneously transit to (MgO)₂ clusters and further transit to MgO crystal which need to adsorb more energy at 700?K.     

An Investigation into the Migration of Segments in Crosslinked Fluorinated Polyimide Adhesive

Crosslinked fluorinated polyimides (CFPI) were successfully synthesized to study and explore the effect of cross-linkage on the migration of fluorinated segments and on the adhesion strength. Characterization by dynamic thermomechanical analysis (DMA) and thermo gravimetric analysis (TGA) confirmed good thermal properties of CFPI. X-ray photoelectron spectroscopy (XPS) results showed that the ratio of fluorinated component (6FDA-ODA) concentration of the surface to the bulk decreased with the crosslink density. The water contact angle of CFPI was lower than that of non-crosslinked fluorinated polyimide, indicating that the migration of fluorinated groups to the surface was reduced by the presence of cross-linkage. Therefore, CFPI, with no fluorine segregation on the surface, exhibited excellent wetting of adherent surfaces and adhesion strength, which was proved by lap shear strength (LSS) measurements and scanning electron microscopy.     

Electromagnetic effects in unified field theory

In unified field theory we derive expressions for the electric current densities j and. We show that j and depend on the intensitiesE andH;E andH possess a common limit 1/; and Coulomb's law is not compatible with the unified theory.     

光子晶体反常色散超窄带滤波理论

讨论了利用由反常色散材料构成的二维（2D）光子晶体(PCs)实现超窄带滤波（PCADOF）的原理，并对铯原子蒸气6P3/2←6S1/2谱线的反常色散曲线进行了研究，讨论利用此反常色散曲线通过2D PCs实现超窄带滤波的方法和特点，研究发现这种滤光器的带宽可达到0.002nm，这将为设计一种全新的滤波器提供指导. 关键词： 反常色散 光子晶体 超窄带滤波     

A bartlett-type adjustment for the likelihood ratio statistic with an ordered alternative

For testing the equality of normal variances with an increasing alternative, under the null hypothesis the likelihood ratio test statistic is asymptotically distributed as a mixture of chi-squared distributions. In this paper a Bartlett-type adjustment is proposed to improve the approximation of the null distribution of the likelihood ratio test statistic with an ordered alternative.     

μ-average N-widths on the Wiener space

In this paper we investigate the asymptotic behaviour of μ-averagen-widths of integral operatorK on the Wiener space, whereK is the inverse operator of an ordinary linear differential operatorL of orderm. For 1≤p.q<∞ . and forp∈[1, ∞),q∈[2, ∞) . Supported by the Fund. of Dooctoral program of NECC.     

Massively time-parallel,approximate simulation of loss queueing systems

A time-parallel simulation obtains parallelism by partitioning the time domain of the simulation. An approximate time-parallel simulation algorithm named GG1K is developed for acyclic networks of loss FCFSG/G/1/K queues. The GG1K algorithm requires two phases. In the first phase, a similar system (i.e. aG/G/1/ queue) is simulated using the GLM algorithm. Then the resultant trajectory is transformed into an approximateG/G/1/K trajectory in the second phase. The closeness of the approximation is investigated theoretically and experimentally. Our results show that the approximation is highly accurate except whenK is very small (e.g. 5) in certain models. The algorithm exploits unbounded parallelism and can achieve near-linear speedup when the number of arrivals simulated is sufficiently large.     

一类非线性时序模型非遍历性的一个充分条件

本文研究了一类由紧算子与加性i.i.d.干扰确定的非线性时间序列的非遍历性,揭示了这类非线性时间序列的非遍历性与其相应确定性部分的Lyapunov函数之间的联系。     

压电材料空间轴对称问题的通解及其应用

本文根据横观各向同性压电材料空间轴对称问题场方程的结构特点,利用逐次引进势函数的方法,最后得到将位移分量和电势函数用满足特定偏微分方程的单一势函数表示的所谓通解,推导过程表明这种形式的通解是完备的,作为应用举例,文中用通解求解了压电材料半无限体表面受集中力的问题,得到位移、应力、电位移分量及电势函数的解析表达式,本文所提供的通解可作为分析含空腔、夹杂或币形裂纹等缺陷的压电材料的机-电耦合行为的工具,算例所得结果可直接用于求解压电体相互间或压电体与普通弹性体间的接触问题。