Chemial Bond and Stability of Adsorption of [Au（ AsS3 ）]^2- on the Surface of Kaolinite

Density function theory and discrete variation method (DFT-DVM) were used to study the adsorption of [Au( AsS3 )]^2- on the surface of kaolinite. The correlation among structure, chemical bond and stability was discussed. Several models were selected with [ Au( AsS3)]^2- in different directions and sites. The results show that the models with gold on the edge of kaolinite basal layer contain pincerlike bond among gold and several oxygen atoms and form strong Au - 0 covalent bond, so these models are more stable than those with gold above or under the layer. The models with gold near to [ AlO2(OH)4] octahedra are more stable than those with gold near to the vacancy withont aluminium. These two stable tendencies in kaolinite- [ Au( AsS3)]^2- are stronger than that in kaolinite-Au systems. The interaction between [ Au( AsS3 )]^2- and kaolinite is stronger than that between gold and kaolinite, and this interaction is strong enough to form the surface complexes.     

The Effect of Bi2O3 on the Structure and Microwave Dielectric Properties of Ba6-3xNd8＋2xTi18O54 System（x=2/3）

The structures and dielectric properties of Ba6-3xNd8＋2xTi18O54 system（x=2/3） doped with different contents of Bi2O3, whose final molecular formula is Ba6-3x（Nd1-yBiy）8＋2xTi18O54 were investigated. It is indicated that the dielectric constant increases greatly whereas Q value（f0=4 GHz） decreases with the increase of Bi2O3 content. However, the temperature coefficient could be controlled below 0±30×10^-6/℃ in the experiment. These phenomena are related to the appearance of a new phase, Bi4Ti3O12, which has high dielectric constant. Also, that Bi^3＋（0.13 nm） substitutes for Nd^3＋（0.099 5 nm） will increase the unit cell volume, which will lead to the enlargement of the octahedron B site occupied by Ti^4＋. So the spontaneous polarization of Ti^4＋ ions will be strengthened. Besides, Bi^3＋ will fill up some vacancies which Ba^2＋ or Nd^3＋ ions leave in two A1 sites and four A2 sites. More positive ions polarize, which also contributes to higher dielectric constant. The samples got with the optimium properties are sintered at 1 200 ℃ for 4 h, when y=0.25, ε≈110, Q≈5 400（f0=4 GHz）, TCC=-4.7×10^-6/℃; When y=0.3, ε≈120, Q≈5 000（f0=4 GHz）, TCC=-24×10^-6/℃.     

大断层区隧洞TBM施工超前注浆加固计算

利用三维有限元方法,计算研究大型断层区超前注浆加固后在TBM开挖过程中隧洞变形稳定情况.通过一系列算例计算,分别考察了隧洞埋深、注浆加固环力学特性和厚度、断层材料的力学特性等对隧洞变形稳定的影响情况,从而加深了对大断层区注浆加固规律性的认识,得出的结论可用于指导大断层区隧洞TBM施工超前注浆加固工作以及今后的研究工作.     

粘钢加固钢筋混凝土梁剥离的有限元分析

给出了针对粘钢加固钢筋混凝土梁的钢板剥离的有限元模型,定义了“剥离应力”与“剥离载荷”,并提出了加固钢板厚度优化设计的数值计算方法。基于建立的有限元模型,用ANSYS软件对实例梁的剥离载荷进行了仿真分析。仿真结果与实验结果的一致性证明了所建有限元模型与提出的方法的正确性与适用性。     

铝合金轴心受压构件截面不对称性系数研究

铝合金轴心受压构件需要引入系数ηas来考虑截面不对称性带来的不利影响。在大量数值分析的基础上,提出了系数ηas的计算公式,可以作为设计计算的依据。提出了广义的稳定计算系数的概念,用以在确定铝合金轴心受压构件的屈曲抵抗力时考虑系数田．的影响,这样可与惯用设计方法相一致。     

晶圆化学机械抛光中保持环压力的有限元分析

在集成电路(IC)行业中,化学机械抛光(CMP)是获得全局平坦化的技术。随着晶圆直径的增加,在CMP加工过程中,晶圆边缘容易出现"过磨(over-grinding)"现象,降低了平坦度和晶圆利用率。在晶圆外部施加保持环可以把晶圆中心处和边缘处的抛光垫压平到一致高度,克服晶圆边缘的"过磨"现象。由此说明,保持环上施加的压力起着至关重要的作用。在实际中,晶圆和CMP工艺成本高,依靠实验探索CMP加工后晶圆边缘效应的规律不可行,所以保持环压力不宜通过实验方法确定,需要借助其它方法预测该压力。文中采用有限元模拟的方法分析保持环压力,得出了保持环压力与晶圆压力比值的最优值,并且研究了晶圆与保持环的间隙对最优压力的影响规律。针对不同CMP工艺,保持环压力能够迅速确定,从而提高晶圆抛光质量及利用率,降低晶圆制造成本。     

磁悬浮列车用直线电机的有限元分析和电感计算

为研究磁悬浮列车长定子直线电机的性能,以德国TR08型磁悬浮列车长定子直线同步电机尺寸为基础,基于有限元方法建立了一个悬浮电磁铁模块的分析模型,对其牵引和悬浮电磁场进行了较为系统的分析,得到了不同动子极距下牵引和悬浮力的变化曲线.重点研究了长定子直线同步电机在分别改变定、动子电流和气隙大小的情况下,以及定动子绕组交直轴电感的变化情况,并通过多项式拟合和傅立叶分解得到了交直轴电感的经验公式.仿真结果表明,定子电流对气隙磁场和电感影响较小,当动子极距为266.5 mm时电机性能较佳,拟合得到的经验公式具有较高的精确度,平均误差小于5％.     

粉喷桩复合地基附加应力场的分析

粉喷桩复合地基在高速公路地基加固中得到广泛应用 ,但其受力机理研究还不完善 .采用有限元法对粉喷桩复合地基进行了研究分析 ,得到了桩长、置换率、桩土模量比等因素与附加应力场的变化规律 ,对粉喷桩受力机理的认识及设计有指导意义 .     

Loaded multi-tooth contact analysis and calculation for contact stress of face-gear drive with spur involute pinion

The analytical method based on "Hertz theory on normal contact of elastic solids" and the numerical method based on finite element method (FEM) calculating the contact stress of face-gear drive with spur involute pinion were introduced, and their relative errors are below 10%, except edge contact, which turns out that these two methods can compute contact stress of face-gear drive correctly and effectively. An agreement of the localized bearing contact stress is gotten for these two methods, making sure that the calculation results of FEM are reliable. The loaded meshing simulations of multi-tooth FEM model were developed, and the determination of the transmission error and the maximal load distribution factor of face-gear drive under torques were given. A formula for the maximal load distribution factor was proposed. By introducing the maximal load distribution factor in multi-tooth contact zone, a method for calculating the maximal contact stress in multi-tooth contact can be given. Compared to FEM, the results of these formulae are proved to be reliable, and the relative errors are below 10%.     

温控射频消融温度场分布的模拟与预测

为实现射频消融参数的术前规划,对温控射频消融温度场进行实验研究.首先根据射频消融针结构建立恒温激励射频消融有限元模型,然后利用ANSYS有限元分析软件模拟计算射频消融温度场分布.通过离体猪肝和体模实验,验证和改进所建有限元模型,提高计算温度场分布的准确性.实验结果表明:所建立的恒温激励有限元模型能较好预测射频消融温度场分布.     

辽宁省低等级公路半刚性基层沥青路面推移现象形成机理

目的 研究辽宁省低等级公路路面推移现象产生的机理,提出合理的防治该种病害的技术措施.方法 在对辽宁省低等级公路路面病害调查的基础上,运用有限元分析软件对基层和面层间的剪应力进行模拟计算,通过改变路面结构参数和行车荷载,得出了面层和基层层间剪应力变化的一般规律.结果 重载和车速在纵坡行驶时的频繁变化是导致路面推移现象的主要因素.与标准轴载的情况相比,超载100%时,其层间剪应力增大了56%.结论 建议应从设计和施工两个方面加强面层和基层的黏结,以便有效地控制低等级公路路面推移现象的频繁发生.     

动脉血流脉搏波传播的非标准Galerkin有限元模拟方法

本文提出用非标准Ｇａｌｃｒｋｉｎ半离散空间有限元力法处理动脉血流的非线性脉搏波传播问题，较好地克服了现有标准Ｇａｌｃｒｋｉｎ法在处理此类问题中所难以避免的数值伪振荡现象。