面心立方晶体外延膜沉积生长中失配位错的结构与形成过程

用分子动力学方法对5%负失配条件下面心立方晶体铝薄膜的原子沉积外延生长进行了三维模拟.铝原子间的相互作用采用嵌入原子法(EAM)多体势计算.模拟结果再现了失配位错的形成现象.分析表明，失配位错在形成之初即呈现为Shockley扩展位错，即由两个伯格斯矢量为〈211〉/6的部分位错和其间的堆垛层错组成，两个部分位错的间距、即层错宽度为1.8 nm,与理论计算结果一致；外延晶体薄膜沉积生长中，位错对会发生滑移，但其间距保持稳定.进一步观察发现，该扩展位错产生于一种类似于“局部熔融-重结晶”的表层局部无序紊乱- 关键词： 失配位错 外延生长 薄膜 分子动力学 铝     

Dielectric properties of a hydrated sulfonated poly(styrene-ethylene/butylenes-styrene) triblock copolymer

The present study showed that sulfonated poly(styrene-ethylene/butylenes-styrene) (S-SEBS) triblock copolymer ionomers can be made to exhibit dielectric constants on the order of a hundreds thousand. Although they are too lossy at this point to use as dielectric materials in capacitors or as electrostrictive Maxwell effect transducer materials because of their high hydrogen ion conductivity, the results of these initial dielectric studies as a function of ion content were used to try to understand the effects of a polar plasticizer, water, on dielectric properties of the acid form of this ionomer. This was done before moving on to more tightly bound ions (rather than the hydrogen ions of the sulfonic acid groups used here) and to other polar, less mobile plasticizers (which also interact strongly with the ionic dipoles). The discovery of such high dielectric constants suggested the possibility that low dielectric loss versions of this type of polymer, as well as other members of the class known as ionomers, might find future applications as extremely high dielectric constant materials in capacitors or transducers. Experimental results for films with degrees of sulfonation on the order of 10% or more showed dielectric constants on the order of ?′ ∼ 100,000 but dielectric loss tangents near D = tan δ ∼ 0.3, when the materials were exposed to high humidity conditions. Experiments to determine the effects of water content on the material's dielectric response showed that water can easily move into and out of the films studied and that this transport behavior is strongly correlated to the relative humidity of the environment and to the degree of sulfonation. Water content, in this case, was thus the primary consideration when attempting to understand the observed high dielectric constants in films with degree of sulfonation greater than 5.5%. However, vacuum-dried films were, also, examined and observed to exhibit a dielectric constant on the order of 2 until the degree of sulfonation was greater than 11%. Above this value, the dielectric constant increased by approximately 100% to a value on the order of 4.     

Extensions of Modules over Schur Algebras, Symmetric Groups and Hecke Algebras

We study the relation between the cohomology of general linear and symmetric groups and their respective quantizations, using Schur algebras and standard homological techniques to build appropriate spectral sequences. As our methods fit inside a much more general context within the theory of finite-dimensional algebras, we develop our results first in that general setting, and then specialize to the above situations. From this we obtain new proofs of several known results in modular representation theory of symmetric groups. Moreover, we reduce certain questions about computing extensions for symmetric groups and Hecke algebras to questions about extensions for general linear groups and their quantizations.     

An Application of Branch and Cut to Open Pit Mine Scheduling

The economic viability of the modern day mine is highly dependent upon careful planning and management. Declining trends in average ore grades, increasing mining costs and environmental considerations will ensure that this situation will remain in the foreseeable future. The operation and management of a large open pit mine having a life of several years is an enormous and complex task. Though a number of optimization techniques have been successfully applied to resolve some important problems, the problem of determining an optimal production schedule over the life of the deposit is still very much unresolved. In this paper we will critically examine the techniques that are being used in the mining industry for production scheduling indicating their limitations. In addition, we present a mixed integer linear programming model for the scheduling problems along with a Branch and Cut solution strategy. Computational results for practical sized problems are discussed.     

Variational conditions with smooth constraints: structure and analysis

 This is an expository paper about the analysis of variational conditions over sets defined in finite-dimensional spaces by fairly smooth functions satisfying a constraint qualification. The primary focus is on results that can provide quantitative and computable sensitivity information for particular instances of the problems under study, and our objective is to give a personal view of the state of current knowledge in this area and of gaps in that knowledge that require future work. The writing style is informal, in keeping with the objective of focusing the reader's attention on the basic concepts and the relationships between them, rather than on details of the particular results themselves. Received: December 1, 2002 / Accepted: April 25, 2003 Published online: May 28, 2003 Key words. variational condition – variational inequality – complementarity – sensitivity – stability – nondegeneracy Mathematics Subject Classification (2000): Primary: 90C31. Secondary: 47J20, 49J40, 49J53, 90C33     

Free Groups from Fields

In the nineteenth century, field theory brilliantly resolveda number of questions that had taxed mathematicians for centuries;for example, ‘The circle cannot be squared’ by straightedge and compass, and solving polynomial equations by radicalsis not always possible. These successes have continued to beheld up as superb examples of the power of mathematical thought,and are demonstrated at an undergraduate level. The purposeof this article is to provide another such natural example whichleads to a concrete realisation of the free group on 2 generators.     

Stereospecific solid-state NaBH4-promoted reduction of 1-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione

NaBH₄ reduction of a cage dione proceeds in a stereospecific fashion to give theendo,endo-diol. This reactivity is related to the crystal structure.