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51.
52.
High temperature oxidation of metals leads to residual stresses in the metal and in the oxide. In this work, we try to predict the evolution of the residual stresses in the growing oxides layers, during isothermal oxidation. The origin of these stresses is based on the microstructural model of Clarke, however, another justification is proposed, assuming a proportional dependence of the growth strain with the oxide layer thickness. Using the mechanics of thin layers, as well as the analysis proposed to describe the growth strain, a system of equations are deduced that predict the stresses evolution with oxidation time. Numerical analysis is performed, leading to a set of theoretical curves. 相似文献
53.
Discrete-time GI/Geo/1 queue with multiple working vacations 总被引:2,自引:0,他引:2
Consider the discrete time GI/Geo/1 queue with working vacations under EAS and LAS schemes. The server takes the original
work at the lower rate rather than completely stopping during the vacation period. Using the matrix-geometric solution method,
we obtain the steady-state distribution of the number of customers in the system and present the stochastic decomposition
property of the queue length. Furthermore, we find and verify the closed property of conditional probability for negative
binomial distributions. Using such property, we obtain the specific expression for the steady-state distribution of the waiting
time and explain its two conditional stochastic decomposition structures. Finally, two special models are presented.
相似文献
54.
An intrinsic principle of least action is presented for the intrinsic dynamism of chemical reactions. Then, as the stationary trajectory, a meta-IRC (intrinsic reaction coordinate) draws a geodesic curve in a rigged Riemannian space. This establishes a geodesic law for the intrinsic dynamism. Moreover, a diagrammatic perturbation theory is formulated for the intrinsic dynamism, and a dynamical interaction between a chemically reacting system and a background system is investigated. Then, the structural stability of the system is discussed using a new concept of the dynamical potential field. An example is given in order to elucidate the present theory.Dedicated to Prof. Hermann Hartmann on the occasion of his 65th birthday. 相似文献
55.
根据出现在质谱中的各种大小的碳原子簇的相对丰度,分析了由激光产生的碳原子簇离子的统计分布,研究了这些统计分布与碳原子簇结构的关联。研究结果表明:相同构型的原子簇的相对丰度可以由同一条对数正态分布曲线来描述,由此能够获得碳原子簇构型的变化情况。质谱中分布曲线的数目对应于具有不同构型或不同结构稳定性的原子簇的数目。如果某些簇离子的谱峰明显地高出分布曲线,它们的结构应特别稳定,其成簇原子数就是所谓的“奇幻数”(magicnumber),例如在石墨质谱中的C_(60)就属于这种情况。原子簇的统计分布还与它们的生成过程有关,由此可能揭示出原子簇的产生机理。 相似文献
56.
The ab initio molecular fragment approach is applied to a characterization study of the ground state of the zwitterion of glycine. Included among the properties studied are the — conformational energy surface, the electronic structure, and the magnitude and direction of the dipole moment. The results of the present study are compared to the results of other theoretical and experimental studies.This work was supported in part by the National Science Foundation, the University of Kansas, and the Upjohn Company, Kalamazoo, Michigan 49001.NSF Trainee (1969-1972).Alfred P. Sloan Research Fellow (1971–1973). 相似文献
57.
本文采用表面活性剂十六烷基三甲基溴化铵(C16TABr,以下为1631),在(Na,K)OHSiO2C16TABrH2O体系中分别利用室温、水热及干粉法进行了纯硅MCM41中孔分子筛的合成,考察了阳离子Na+、K+对MCM41合成及稳定性的影响。通过XRD对结晶度的测定,发现NaMCM41的晶化速率明显高于KMCM41,而热稳定性和水热稳定性较差,且a0值小于后者。同时发现,就合成方法而言,室温法得到的产物具有很高的结晶度,利用水热法合成的样品的热稳定性明显较高,而干法得到的分子筛产品具有优良的水热稳定性。 相似文献
58.
Summary On the basis of the completely-optimized S0 and S2 molecular geometries of pyrene the vibrational structure of the electronic S2S0 transition was calculated within both the Condon approach and the first-order Herzberg-Teller approach. The theoretical results demonstrate the significant influence of vibronic coupling. An analysis of the active vibrational modes is given. The theory-experiment comparison within the Herzberg-Teller approach is satisfactory. 相似文献
59.
It is proved for an arbitrary commutative ring A with identity and any integer n3 that if H is a subgroup of GLn(A) normalized by E
n(A,q), then there is an ideal of A such that E
n(A,) H GL
n
(A, (:q40).Furthermore, is uniquely determined up to a certain equivalence relation on the set of ideals of A. The result extends a theorem of Bak, by removing a stability condition he uses on A. 相似文献
60.
Extremely localized molecular orbitals (ELMOs), namely orbitals strictly localized on molecular fragments, are easily transferable from one molecule to another one. Hence, they provide a natural way to set up the electronic structure of large molecules using a data base of orbitals obtained from model molecules. However, this procedure obviously increases the energy with respect to a traditional MO calculation. To gain accuracy, it is important to introduce a partial electron delocalization. This can be carried out by defining proper optimal virtual orbitals that supply an efficient set for nonorthogonal configurations to be employed in VB-like expansions. 相似文献