现代热力学的完整分类系统--非平衡非耗散热力学新领域

在同一体系中同时有多个不可逆过程时，不可逆过程之间会有相互影响，原来的非自发过程有可能在其他自发过程的影响下得以进行，这种现象就称为热力学耦合或反应耦合，长期以来，经典热力学把热力学第二定律的等式作为平衡体系的充分必要条件，其中隐含了一个前提性的假定，即经典热力学的对象只限于非耦合的体系，摈弃这一隐含的前提性假定以后，热力学自身就发展成为一个现代热力学的完整学术体系，适用于任何宏观体系（包括极其复杂的生命体系），现代热力学的完整学术体系中包含了一个崭新的非平衡非耗散热力学新领域，由于该领域属于热力学第二定律的等式部分，因此可以定量计算，并得到一系列理论计算的非平衡相图，与文献上报道的激尖低压金刚石合成等的大量实验数据相符。     

利用富铈混合稀土改善工业纯铝中富铁相形貌的研究

利用金相分析方法研究了富Ce混合稀土变质对含不同Fe量的工业纯铝的组织和其中富铁相形貌的影响。试验结果表明,随着Fe含量的增加,富铁相由弥散细小的颗粒状向短棒状、长针状转变;富Ce混合稀土变质使铝中的富铁相由长针状变为弥散细小的颗粒状。随着稀土含量的增加,-αAl晶粒逐渐细化,富铁相尺寸及数量逐渐减小。添加0.5%稀土时,-αAl晶粒细化效果最佳,而且富铁相呈细小颗粒状均匀分布在-αAl基体的晶界处。本文还对稀土改善富铁相的机制进行了分析。     

Phosphonate electrochemical recognition by molecularly imprinted deposited film

In this paper, thin films of titanium oxide imprinted with O,O-dimethyl-(2,4-dichlorophenoxyacetoxyl)(3′-nitrobenyl) methinephosphonate (Phi-NO₂) were prepared via liquid phase deposition (LPD) method on a glassy carbon electrode. The imprinted molecular in the films was removed by treatment with immersion in CH₂Cl₂. X-ray diffraction (XRD) and electrochemical methods were introduced to show the evidence of the molecular imprinting phenomenon. It was also found that the recognition ability of the sensor depended on the substituents associated with tridimensional structures of the nitro-compounds. Under the optimized condition, the sensor showed better sensitivity, selectivity and reproducibility to the imprinted molecule and the linear relationship between the current and the concentration of analyte in the range of 0.1-50 μM was obtained. LPD proved to be a powerful method for imprinting titanium oxide thin sense films.     

Solvothermal synthesis of TiO2: anatase nanocrystals and rutile nanofibres from TiCl4 in acetone

This work reports a new synthetic approach for single‐phase TiO₂ nanomaterials by solvothermal treatment of titanium tetrachloride in acetone at 80–110 °C. Small, uniform, and yet size‐tunable (5–10 nm) anatase titania nanocrystallites were obtained using a low concentration of TiCl₄ in acetone (i.e., at molar ratios of TiCl₄/acetone ≤ 1:15) in the temperature range of 80–110 °C, while rutile nanofibers were synthesized using a high concentration of TiCl₄ (e.g., TiCl₄/acetone = 1:10) at 110 °C. Copyright © 2007 John Wiley & Sons, Ltd.     

Stability of the steady state for the Falk model system of shape memory alloys

In this article a stability result for the Falk model system is proven. The Falk model system describes the martensitic phase transitions in shape memory alloys. In our setting, the steady state is a nonlocal elliptic problem. We show the dynamical stability for the linearized stable critical point of the corresponding functional. Copyright © 2007 John Wiley & Sons, Ltd.     

KNSBN晶体猫式互抽动相位共轭光特性

在KNSBN：Ce晶体中，利用二波耦合作用，在单一光束无法获得相位共轭光的条件下，实现了“猫”式互抽运相位共轭光输出，获得较高的共轭光发射率，实验结果表明，晶体的二波耦合作用可以使晶体的自抽运相位共轭光的阈值光强降低。入射光的入射角范围增大，响应时间缩短。     

离子辐照引起的金属／绝缘体界面混合与相变研究

载能离子穿过固体界面引起界面原子迁移使界面原子混合和物质成分变化，从而导致界面发生材料相变。简要介绍了载能离子辐照引起金属／绝缘体界面混合效应及相变现象的主要实验研究进展、低能离子和高能离子辐照引起金属／绝缘体界面现象差异，并对离子辐照引起界面混合及相变的机制进行了初步探讨。When penetrating an interface between two kind of solids, energetic ions can induce atomic diffusion at both sides of the interface and then result in intermixing, atom re-distribution or composition change, as well as phase transformation. Main progress on the study of intermixing and phase change at metal/insulator interface induced by energetic ion irradiations, the difference of phenomena occurred at metal/insulator interfaces induced by high-and low-energy ions were briefly reviewed. Furthermore, the possible mechanisms related to intermixing and phase change at metal/insulator interface produced by energetic ion irradiations were also discussed in short words.     

40Ar+诱导无定形碳到金刚石纳米晶相变的研究

通过60 keV的⁴⁰Ar⁺辐照无定形碳靶合成了大量尺寸不同的金刚石纳米颗粒.高分辨透射电子显微镜配合能量色散X射线谱和电子衍射以及Raman谱分析的结果表明，这些嵌于具有扰动石墨结构薄膜中的纳米金刚石颗粒，其成核率很高(约为10¹³/cm²)，而且可以生长到较大的尺寸，有的甚至可以达到微米量级.对其相转变过程也进行了初步探讨. 关键词： 离子束 金刚石纳米晶 相变 透射电子显微镜     

位相物体激光全息二次曝光法无损检测

为借助激光全息进行无损检测，获得位相物体的信息，对位相物体激光全息二次曝光法无损检测进行了研究，指出一般的二次曝光法测位相物体典型光路的缺点，提出了物光波2次通过样品的改进方案。利用此方案对一些位相物体(如普通玻璃和有机玻璃)作了无损检测实验，得到了较满意的实验结果。与普通检测方法相比，该方法具有精度高、结果直接可靠、不损伤物体等诸多优点。对改进方案稍作改动，即可用于塑料制品和玻璃制品生产线对加工产品进行在线产品质量监控。     

Microkinetic modelling of the formation of C1 and C2 products in the Fischer-Tropsch synthesis over cobalt catalysts

The heats of adsorption of different C₁ and C₂ molecules assumed to be present during the initial steps of the Fischer-Tropsch synthesis and activation energies for elementary steps envisioned to occur in the synthesis are calculated for Co by using the unity bond index-quadratic exponential potential (UBI-QEP) method. The preexponential factors for the elementary steps are calculated from transition-state theory, and the rate constants are calculated according to the Arrhenius equation. The activation barrier for hydrogenation of CO is found to be lower compared to hydrogen assisted dissociation of CO, which has a smaller activation barrier than direct dissociation of CO. The reaction steps with high activation barriers are eliminated. Based on this elimination two sets of elementary steps for formation of C₁ and C₂ alkenes and alkanes in the Fischer-Tropsch synthesis are established: one based on hydrogen assisted CO dissociation (carbide mechanism) and one based on CO hydrogenation (CO insertion mechanism). In addition, one mechanism of producing CO₂ from the water-gas shift reaction is proposed. The resulting mechanisms are combined and used in the microkinetic model, which are fitted to experimental results at methanation conditions (T = 483 K or 493 K, p = 1.85 bar and H₂/CO = 10) over a Co/Al₂O₃ Fischer-Tropsch catalyst. A good tuning is obtained by adjusting the C-Co and H-Co binding strengths. The microkinetic modelling based on these assumptions indicates that CO is mainly converted through hydrogenation of CO and that C₂ compounds are mainly produced by insertion of CO into a metal-methyl bond. Thus, from the surface coverages and reaction rates predicted by the microkinetic modelling the mechanism can be further reduced to only include the CO insertion mechanism. Hydrogenation of CHO to CH₂O is found to be the rate determining initiation step, and insertion of CO into a metal-methyl bond is found to be the rate determining step for chain growth. By using the UBI-QEP method for calculation of activation energies, the activation barriers for dissociation of CO and hydrogenation of surface carbon are found to be too large for the carbide mechanisms to occur. However, experimental data or another theoretical method is necessary in order to support or disprove the calculated activation energies in this work.