团簇Co3FeP异构化反应的热力学与动力学研究

为了寻找团簇Co₃FeP的稳定性、结构和内部作用力等规律，利用密度泛函理论，在B3LYP/Lanl2dz的量化水平下对团簇Co₃FeP进行理论计算，得到5种优化构型，并从化学反应热力学与动力学的角度对其异构化反应中的反应物、过渡态和生成物进行了讨论分析。结果表明，所有构型均为C1对称且构型的空间结构对其熵值有影响；构型的稳定性主要由金属原子与非金属原子所决定，并且在常温常压下构型1^（3）、2^（3）和3^（3）可以稳定存在，是大部分异构化反应的最终产物。因此，在实际材料的开发中，不仅需要注意金属原子与非金属原子之间的作用力以确保构型的稳定性，还应首先考虑对稳定构型1^（3）、2^（3）和3^（3）进行相关研究。     

LehmerDH数在模p剩余系的分布

设 p≥ 3为素数 ,集合A ={a|1≤a 相似文献   

借助Matlab遗传算法反演火山区压力源参数

首先分析了Mogi模型的经典最小二乘反演由于出现矩阵奇异或接近奇异而发散的局限性,决定采用具有全局高效搜索性和优化计算时不需要求导的遗传算法来反演火山区压力源参数。反演程序调用Matlab7.0 Release14工具箱中的选择、交叉和变异等相关程序。最后应用该程序和长白山天池火山区水准和GPS观测资料联合反演火山区压力源参数,经过比较遗传算法和阻尼最小二乘方法的反演结果,可看出2种方法结果近似,可见此方法方便快捷地实现了目标函数的最小化。     

Solving Non-Uniqueness in Agglomerative Hierarchical Clustering Using Multidendrograms

In agglomerative hierarchical clustering, pair-group methods suffer from a problem of non-uniqueness when two or more distances between different clusters coincide during the amalgamation process. The traditional approach for solving this drawback has been to take any arbitrary criterion in order to break ties between distances, which results in different hierarchical classifications depending on the criterion followed. In this article we propose a variable-group algorithm that consists in grouping more than two clusters at the same time when ties occur. We give a tree representation for the results of the algorithm, which we call a multidendrogram, as well as a generalization of the Lance andWilliams’ formula which enables the implementation of the algorithm in a recursive way. The authors thank A. Arenas for discussion and helpful comments. This work was partially supported by DGES of the Spanish Government Project No. FIS2006–13321–C02–02 and by a grant of Universitat Rovira i Virgili.     

The harmonic decomposition reconstruction for the exponential radon transform

The exponential Radon transform, a generalization of the Radon transform, is defined and studied as a mapping of function spaces. It is represented in terms of Fourier transform of its domain and range, and this leads to the harmonic decomposition reconstruction. The results are similar results of Tretiak and Metz. Foundation item: Supported by the National Natural Science Foundation of China (No. 19971064), Key Project of Science and Technology of Hubei Province Education Committee. Biography: Wang Jin-ping (1963-), male, Ph.D. candidate, research direction: numberical solution of singular integral equation and integral transformation etc.     

Dirichlet公式的简化证明及应用

本文给出了Ｄｉｒｉｃｈｌｅｔ公式的一个简化证明，极易掌握。利用这一公式导出了一个含双参数的级数及其和的表达式。适当选取参数，得出了几个新的收敛级数。     

几个求和公式的推导

本文利用差分的方法，推导出几个常见的求和公式。     

Cauchy主值积分求积公式的收敛性

本文讨论了Cauchy主值积分求积公式的收敛性,并获得了余项的估计式。     

用“多化一”最小二乘法建立吸附动力学方程

用若干个一元最小二乘法，建立多元经验公式；以吸附动力学方程为例，取得了预期的结果。