一种新化合物K2Ti8O15纳米线

钛酸钾晶须通常是直径和长度在微米量级的无机晶须 ,可用Ｋ2 Ｏ·ｎＴｉＯ2 表示其组成 ,ｎ =1,2 ,4 ,6 ,8,[1] .六钛酸钾晶须具有耐高温、耐腐蚀、纤维拉伸强度高、导热系数小、红外反射率高 ,硬度低的特点 .在民用及工业方面有很多应用 .如催化剂载体、离子吸附交换材料、高温过滤器、绝热材料、耐摩擦材料等[2～ 5] .钛酸钾纳米线的合成尚未见报道 .我们在用电弧产生的Ｎ2 等离子体热解焦油时 ,生成了一种直径 9～ 2 0ｎｍ长约几百纳米线 .Ｘ射线能谱定量分析表明这种纳米线化学组成为Ｋ2 Ｔｉ8Ｏ15,是一种新的非化学计量化合物 .试验装…     

Convergence of multistep discretizations of DAEs

Standard ODE methods such as linear multistep methods encounter difficulties when applied to differential-algebraic equations (DAEs) of index greater than 1. In particular, previous results for index 2 DAEs have practically ruled out the use of all explicit methods and of implicit multistep methods other than backward difference formulas (BDFs) because of stability considerations. In this paper we embed known results for semi-explicit index 1 and 2 DAEs in a more comprehensive theory based on compound multistep and one-leg discretizations. This explains and characterizes the necessary requirements that a method must fulfill in order to be applicable to semi-explicit DAEs. Thus we conclude that the most useful discretizations are those that avoid discretization of the constraint. A freer use of e.g. explicit methods for the non-stiff differential part of the DAE is then possible.Dedicated to Germund Dahlquist on the occasion of his 70th birthdayThis author thanks the Centro de Estadística y Software Matemático de la Universidad Simón Bolivar (CESMa) for permitting her free use of its research facilities.Partial support by the Swedish Research Council for Engineering Sciences TFR under contract no. 222/91-405.     

聚醚醚酮链结构与反应的模型化合物的量子化学研究

利用ＡＭ１方法对聚醚醚酮模型化合物全优化，结果为：芳环平均相互扭转角为３３．０度，桥键角１１７．０－１１８．０度，其分子结构拓扑图形表明：所有苯环（核）为平面构型，但其内角扭曲；其氢原子对苯环构型无实质性贡献，在更长链的计算中，冻结苯核与氢原子也得出满意结果，根据Ｍｕｌｌｉｋｅｎ键序与电荷讨论了醚交换与磺化反应。     

斜孔气膜冷却数值模拟分析

本文通过数值模拟分析圆柱孔和扩散孔的单斜孔气膜冷却特性,考察复合角、孔型和吹风比对流场和气膜冷却效果的影响。结果表明,复合角的引入使气膜侧向分布更宽,但冷却效果沿主流方向衰减更快。适中吹风比得到的气膜能更有效的保护壁面。在相同吹风比和复合角条件下,扩散孔的气膜冷却效率比圆柱孔更好,且冷却更为均匀持久。     

正定矩阵标准型的复合矩阵的一般形式

实对称正定矩阵的复合矩阵正定性的研究已有结论,但对于一般意义下的正定矩阵的复合矩阵是否仍然是正定的研究需要利用一般的正定矩阵的标准形的复合矩阵进行讨论,给出了一般公式及具体算法,为讨论其复合矩阵的正定性提供了基础条件.     

脉冲磁场处理对碳纳米管掺杂MgB2线材临界电流密度的影响

对碳纳米管(CNT)掺杂MgB₂超导体磁场处理后的行为进行了研究. 结果表明，CNT掺杂MgB₂超导体经5T脉冲磁场处理后临界电流密度J_c(H)在低磁场下提高了2—3倍，高场下提高一个数量级以上，扫描电镜结果显示CNT沿着处理磁场方向规则排列并且成为MgB₂基体的形核中心和高效的磁通钉扎中心. 关键词： 2')" href="#">MgB₂ 碳纳米管 脉冲磁场处理     

含有五边形—七边形缺陷的单壁纳米碳管的输运性质研究

运用第一性原理的密度泛函理论结合非平衡格林函数研究了含有五边形—七边形拓扑缺陷的纳米碳管异质结的输运性质.结果发现：拓扑缺陷对碳管的输运性质有很大影响；另外，不同类型的碳管形成的异质结的输运性质也有明显的差异. 关键词： 纳米碳管 输运性质 异质结 透射系数     

有限长扶手椅形单壁碳纳米管分子静电势的理论研究

在混合密度泛函B3LYP理论下,用3-21G基函数对有限长扶手椅形单壁碳纳米管(4,4)、(5,5)和(6,6)的构型进行优化和分子静电势计算.结果表明:除近核区域为正常的正电势外,碳纳米管结构模型的管内和管外为负电势区域;在碳纳米管结构模型的管内,管心处均出现负电势的最小值,且负电势的绝对值随着碳纳米管的曲率降低而增大,管心轴线上静电势的变化随碳纳米管的曲率降低而减少,带电粒子流比较容易通过纳米管.     

Numerical study of charge ordering in NaxCoO2

A simple microscopic model of charge ordering in the Na_xCoO₂ system is presented. The model takes into account the interplane interactions between the ordered Na ions and d electrons from the CoO₂ layers as well as the nearest-neighbor intraplane Coulomb interactions between d electrons. It is shown that a driving force of charge ordering in the CoO₂ layers is the interplane interaction that alone is able to describe various types of inhomogeneous charge ordering (e.g., the striped phases) as well as to predict correctly the conducting properties of the system.     

An expansion in the exponent for compound binomial approximations

The purpose of this paper is two-fold. First, we introduce a new asymptotic expansion in the exponent for the compound binomial approximation of the generalized Poisson binomial distribution. The dependence of its accuracy on the symmetry and shifting of distributions is investigated. Second, for compound binomial and compound Poisson distributions, we present new smoothness estimates, some of which contain explicit constants. Finally, the ideas used in this paper enable us to prove new precise bounds in the compound Poisson approximation. Published in Lietuvos Matematikos Rinkinys, Vol. 46, No. 1, pp. 67–110, January–March, 2006.