基面

The structures and stabilities of the ground-states for Cu13-nAgn clusters have been studied by Gupta model potential based on tight binding second moment approximation in combination with a genetic algorithm. It is found that the lowest energy structures of the pure clusters (n=0,13) are perfect icosahedron, and the structures for the bimetallic clusters (n=1～10) have stable structure which are slightly deformed with respect to the perfect icosahedron, The Cu atom prefers to occupy the center of the clusters with higher coordination numbers.

在混合团簇基态结构优化的遗传算法方案中增加了交换算子，结合Gupta紧束缚模型势研究了Cu13-nAgn团簇的最低能量结构，选择合适的交换和杂交概率，可有效地提高优化效率，优化结果表明，Cu13和Ag13是全对称的二十面体，n=1～10的混合团簇能形成稳定结构，其构型是在二十面体基础上发生畸变，Cu原子趋于处在团簇中心，随着Ag原子数目的增加，原子间的平均距离单调增加，团簇的结合能单调减小，Cu2Ag12和CuAg12只存在亚稳结构。

In order to study the structure of face contacted blocks,the movability of three kinds of the face contacted block has been studied by vector analysis ,the scope of key blocks is dwindled, and the base for further study of the structure face contacted blocks has been established.

为研究面接触块体结构，运用矢量分析法判别了大同采场上覆岩层常见的 3种面接触块体的可动性，缩小了找关键块体的范围，对面接触块体结构的深入研究奠定了基

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The dislocation configuration in a single crystal Ni base alloy with (100) plane parallel to stress axis during primary creep has been investigated by TEM.

利用TEM研究了单晶镍基合金平行于应力轴的（100）晶面拉伸蠕变初期的位错组态，表明：形变特征是位错在γ相八面体滑移系中运动。

Based on the research, results from home and abroad, according to the characteristic of the widely-adopted semi-rigid pavement, the thesis studies the cold in-place recycling technology, and proposes the method of the mixture design of cold in-place recycling, the reasonable ratio of the pavement to the base and the amount of cement utilized. Moreover, the thesis delves on the mechanical property, construction craft and quality control of the old asphalt mixture after recondition, how to apply the recycling mixture to the base, and cater to the needs of performance.

本文在国内外已有研究成果的基础上，根据国内普遍采用半刚性基层沥青面层这一结构特点，研究旧沥青路面的现场冷再生技术，提出了冷再生混合料的配合比设计方法，合理的基、面层掺配比例及水泥剂量，深入研究了旧沥青路面材料再生后的力学性能、施工工艺以及质量控制及检测，并将再生的混合料应用于路面基层，满足相应的路用性能要求。

The results indicate that response surface method based on radial basis function is the most suitable for practical problems.

结果表明，基于径向基函数的响应面建模方法最适于实际问题的响应面建模。

It's found that the (001) facet is the growth facet when the NBW crystal is grown by the Bridgman method through spontaneously crystallization. This phenomenon is in accordance with the growth characteristic of the typical scheelite crystals, and can be well explained by the Bravais law and the theory of anion coordination polyhedron.

指出坩埚下降法自发成核NBW晶体生长的生长面为（001）面，这与白钨矿结构晶体（001）面生长快的特点是完全符合的，Bravais法则和负离子配位多面体生长基元理论都能够很好地解释这一现象。

These issues mainly include simulation offlexible soil container, selection of dynamic constitution model of soil, simulation of the changing-status non-linearity on soil-structure interface, meshing, treatment of reinforcements in structure,using of symmetry principle and so on.

按照本文的建模原则和计算方法，对土-桩基-结构相互作用体系振动台试验进行三维有限元计算分析，计算中土体采用等效线性模型，利用面-面接触单元考虑土体与结构交界面的状态非线性。

So, the aromaticity of acenaphthenyl groups in C_2 gum should be the least. In order to explain the reason, quantum chemical calculation is utilized. The optimized geometrical structrures of condensed aromatics in C_1 gum, C_2 gum and C_3 gum are calculated at B3LYP/6-31G* levels. We find that some phenyl groups in acenaphthenyl groups are coplanar and have the largest conjugated structure.

为了解释其原因，我们利用量子力学方法进行了计算，研究了三种稠环基团在B3LYP／6-31G*基组水平下优化得到的几何结构，发现苊式多苯基苯基中的萘环和中间的苯环共面，电子离域性最大，而其他二者所有苯环都不共面，发生了明显地扭曲；同时，在优化几何结构的基础上，对三种化合物进行了前线分子轨道的分析，利用密度泛函理论方法(density function theory，DFT)计算了稠环基团的最高占有轨道和最低未占轨道之间的能量差，即能隙，发现C_2胶上苊式多苯基苯基的Eg最小，解释了C_2胶具有最好的辐射保护效果的原因。

In the reaction of VS+ with CO2, we suggest that, at low energies, the reaction proceeds along the A' surface and then makes an intersystem crossing to the A surface and yields the ground state product VO+3(-, which may explain the small VO+ cross-section at low energies observed in the experiment.

在VS+和CO2的反应中，我们提出在低能区反应沿A'势能面进行然后和A势能面发生交叉产生基态产物VO+3(-，这也解释了为什么实验上VO+的反应截面很小。

For a big chunk of credit-card losses; the number of filings (and thus charge-off rates) would be rising again, whether

年美国个人破产法的一个改动使得破产登记急速下降，而后引起了信用卡大规模的亏损。

Eph. 4:23 And that you be renewed in the spirit of your mind

弗四23 而在你们心思的灵里得以更新