The mechanism of ethylene polymerization by nickel salicylaldiminato catalysts - Agostic interactions and their kinetic isotope effects

The ethylene polymerization reaction of a neutral nickel catalyst was studied by DFT calculations at the Becke3LYP/6-31G(d) level of theory. As in related cases a β-agostic bond stabilizes the nickel alkyl ground states. Transition states for the insertion of the olefin show a distinct α-agostic interaction, which has not been observed for late metal polymerization catalysts before. An ethylene-alkyl complex was identified as the resting state of the reaction. The overall barrier height of the reaction amounts to 17.54 kcal/mol, which slightly increases to 17.60 kcal/mol for the polymerization of deuterated ethylene. Therefore, a small positive kinetic isotope effect (k_H/k_D = 1.09) can be calculated, which is caused by the α-agostic interaction in the transition state. A comparison to other late metal based polymerization systems reveals that the ethylene coordination step of highly active catalysts is significantly lower in energy compared to catalysts which are only moderately active.     

Thermal gradient induced sidebranching in directional solidification

The polycrystalline perovskitelike manganese oxides La_1-xA_xMnO (A = Na, and K, ) have been fabricated by sol-gel technique. For all the compositions explored in this work, the average manganese oxidation state is practically constant, at for A = Na, and for A = K, respectively. A close relationship is confirmed to hold between the Curie temperature (T_c) and the bond distance of Mn-O. Results of magnetic measurements show that these materials can be utilized as suitable candidates for magnetic refrigerants with wide applied temperature span, for their significant entropy change and the easily tuned Curie temperature. Received: 12 September 1997 / Revised: 18 December 1997 / Accepted: 21 January 1998     

精细功能陶瓷的若干发展趋势

概括了分析自９０年代初以来精细功能陶瓷的发展趋势，提出了一些相关的研究领域。     

Zeeman效应实验一定能推断出原子的g_J值吗?

本文以实例对Zeeman效应一定能推断原子的gJ值问题做了否定的回答。     

深亚微米MOSFET衬底电流的模拟与分析

利用器件模拟手段对深亚微米ＭＯＳＦＥＴ的衬底电流进行了研究和分析，给出了有效的道长度，栅氧厚度，源漏结深，衬底掺杂浓度以及电源电压对深亚微米ＭＯＳＦＥＴ衬底电流的影响，发现电源电压对深亚微米ＭＯＳＦＥＴ的衬底电流有着强烈的影响，热载流子效应随电源电压的降低而迅速减小，当电源电压降低到一定程度时，热载流子效应不再成为影响深亚微米ＭＯＳ电路可靠性的主要问题。     

SiGe／Si多量子阱中垂直方向红外吸收及共振色散效应

用垂直入射的中红外光束调制非掺杂SiGe/Si量子阱中光致子带间吸收，氩离子激光器作为子带间跃迁的光泵浦源在阱中产生载流子，红外调制光谱用步进式傅立叶变换光谱仪记录，实验中观察到明显的层间干涉效应与子带间跃迁有关的色散效应，理论和实验分析认为样品折射率变化造成的位相调制可以补偿吸收所造成的幅度调制。     

可重构制造系统重组过程中设备选择模型的研究

根据生产任务选择加工设备进行制造资源重组是实现可重构制造系统的关键问题之一，由于设备的选择涉及到多种因素，既有定量指标，又有定性指标，传统的依靠人工经验的方法显得力不从心。本文首先结合实际情况，提出了一套设备选择评价体系，通过对模糊判断矩阵采用最小对数二乘法确定各评价因素的权重系数，针对定性指标和定量指标采用不同的方法确定其性能指标值，通过模糊积分对评判指标进行综合评判，最后进行了实例研究。所提出的方法有效地简化了决策过程，为可重构制造系统设备选择提供了一套行之有效的方法。     

Interlaboratory comparisons and improvements of methods for acid number determination in used motor oils

The results of two interlaboratory comparisons of acid number determinations in used motor oils are discussed. It is shown that the comparability of the measurement results is not as good as that required by known standards for petroleum products. The problem is motor oil contaminants which accumulated during use, and which are the source of a matrix effect in the acid number determination. The standard methods’ drawbacks are analyzed and some improvements are proposed. Repeatability and accuracy of the improved methods are evaluated. Received: 11 December 2001 Accepted: 15 February 2002     

铁电存储场效应晶体管I-V特性的物理机制模拟

文章讨论的模型主要描述了铁电存储场效应晶体管（FEMFET）的I-V特性。从理论结果可反映出几何尺寸效应和材料参数对晶体管电特性的影响。传统的阈值电压的概念巳不再适用，由于铁电层反偏偶极子的开关作用，自发极化的增加对存储器的工作状态产生很小的影响。该模型可用于设计和工艺参数的优化，并由直观原型的方法得到了验证。     

推广x重新标度模型的重标度参数经验公式

给出了推广x重新标度模型的重标度参数经验公式,其中建立了重标度参数与原子核的平均结合能之间的联系,由该公式可以得出A≥12的所有核的重标度参数值,利用这些参数值可以计算有关核过程并做出预言.