Effect of Cr,Mo, and Nb additions on intergranular cohesion of ferritic stainless steel: First-principles determination

Effects of Cr, Mo, and Nb on the ferritic stainless steel ]2（210） grain boundary and intragranularity are investigated using the first-principles principle. Different positions of solute atoms are considered. Structural stability is lowered by Cr doping and enhanced by Mo and Nb doping. A ranking on the effect of solute atoms enhancing the cohesive strength of the grain boundary, from the strongest to the weakest is Cr, Mo, and Nb. Cr clearly prefers to locate in the intragranular region of Fe rather than in the grain boundary, while Mo and Nb tend to segregate to the grain boundary. Solute Mo and Nb atoms possess a strong driving force for segregation to the grain boundary from the intragranular region, which increases the grain boundary embrittlement. For Mo- and Nb-doped systems, a remarkable quantity of electrons accumulate in the region close to Mo （Nb）. Therefore, the bond strength may increase. With Cr, Mo, and Nb additions, an anti-parallel island is formed around the center of the grain boundary.     

极紫外光刻离轴照明技术研究

离轴照明技术(OAI)是极紫外光刻技术中提高光刻分辨率的关键技术之一。为了实现考虑掩模阴影效应情况下离轴照明的优化选择,构造了一种新型实现OAI曝光的成像模型。将照射到掩模上的非相干光等效为一系列具有连续入射方向的等强度平行光,基于阿贝成像原理分别对掩模进行成像,最终在像面进行强度叠加实现OAI方式下空间成像的计算;并通过向投影系统函数添加离焦像差项实现不同离焦面上空间成像计算。该模型极大地简化了OAI条件下对掩模阴影效应的计算,提高了成像质量计算效率。结合光刻胶特性及投影曝光系统焦深设计要求,以显影后光刻胶轮廓的侧壁倾角为判据,获得了采用数值孔径为0.32的投影系统实现16 nm线宽黑白线条曝光的最优OAI参数。     

Low-Voltage Depletion-Mode Indium-Tin-Oxide Thin-Film Transistors Gated by Ba0.4Sr0.6TiO3 Dielectric

We report on the fabrication and characterization of low-voltage indium-tin-oxide （ITO） thin-film transistors （TFTs） gated by a0.4Sr0.6TiO3 （BST） gate dielectric deposited at room temperature. The 400-nm-thick BST film shows a low leakage current density of 6 × 10^-8 A/cm^2 and a high specific capacitance of 83 nF/cm^2 （corresponding εr= 37）. The ITO TFTs gated by such BST dielectric operate in a depletion mode with an operation voltage of 5.0 V. The device exhibits a threshold voltage of -3.7 V, a subthreshold swing of 0.5 V/decade, a field effect mobility of 3.2cm^2/Vs and a current on/off ratio of 1.4× 10^4.     

高层组合墙片模型的拟静力试验

着重介绍高层组合墙片的拟静力试验.通过试验更加深入地了解高层组合墙片在竖向压力和侧向分布荷载共同作用下的破坏机理及抗侧承载力.从而为进一步提出组合墙体抗侧承载力的计算公式打下基础.     

稀土硫化物—聚苯乙烯纳米复合材料的制备与表征

采用原位合成法制备了稀土硫化物—聚苯乙烯纳米复合材料 .通过荧光光谱、磁性、光电子能谱、透射电镜等手段对材料进行表征 .荧光光谱测试可见Eu3+ 的特征发射峰 ;磁性测试表明与H2 S反应后复合材料的饱和磁化强度降低 ;TEM测试表明反应后复合材料的微观结构发生了变化 .分析了产生上述变化的原因     

合成2-(三溴甲磺酰基)吡啶的工艺改进

聚乙二醇-400催化2-氯吡啶(1)与甲硫醇钠反应合成了2-甲硫基吡啶(2);2与次溴酸钠经氧化和溴化反应合成了2-三溴甲磺酰吡啶(3),其结构经1H NMR,IR和元素分析确证。合成2的最佳反应条件为:1 100mmol,甲硫醇钠0.12 mol,聚乙二醇-400(1.2 mL)为催化剂,于80℃反应4 h,收率98%。合成3的最佳反应条件为:2 95 mmol,n(2)∶n(溴素)=1.00∶6.58,于8℃反应5 h,收率95.1%,纯度99.6%。     

Syntheses,Crystal Structures and Catalytic Properties of Copper(Ⅱ) and Cobalt(Ⅱ) Complexes Containing 5,6-Dimethylbenzimidazole

Two new complexes, [Cu(DMB)2(NAA)2](1) and [Co(DMB)2(NAA)2](2)(DMB = 5,6-dimethylbenzimidazole, HNNA = 1-naphthylacetic acid), were hydrothermally synthesized and characterized by elemental analysis, IR spectroscopy, TGA, PXRD and single-crystal X-ray diffraction analysis. The coordination geometry of the metal centers is a perfect square plane for 1 and a distorted tetrahedron for 2. In compound 1, the mononuclear units are linked by N–H···O hydrogen bonds to form a 1D chain structure, while mononuclear motifs of 2 are extended via N–H···O hydrogen bonding and π-π stacking interactions into a 2D supramolecular layer. The remarkable catalytic properties of the two complexes for the degradation of Congo red dye have been found.     

轻、重稀土对球墨铸铁抗衰退性能的影响

系统地研究了不同稀土含量对钇基重稀土镁球铁和铈基轻稀土镁球铁抗衰退性能的影响，得到了各种球化剂处理的铁水球化级别随保持时间的变化关系曲线。结果表明：无论Y-Mg-Si球化剂还是Ce-Mg-Si球化剂处理的铁水，随着稀土残量的增加抗衰退时间都延长，但当铁水中的稀土残量达到一定值后，初始球化级别下降；无论Y-Mg-Si球化剂还是Ce-Mg-si球化剂，稀土中等残量(0．04％-0．06％)条件下的抗衰退性能都最好，此时残镁量在0．04％-0．07％；中等稀土残量的稀土镁球化剂的抗衰退性能显著优于镁硅球化剂，而且Y-Mg．si球化剂的抗衰退性能优于Ce-Mg-Si球化剂，Ce-Mg-Si球化剂在一定条件下同样可以用于大断面球墨铸铁件的生产。     

美式看跌期权定价的两种有限差分格式

基于Black-Scholes模型,采用指数拟合有限差分法与外推的指数拟合有限差分法对美式看跌期权价值进行了数值计算,对这两种数值方法及其与已往的显式、隐式、C-N等有限差分的优缺点进行了比较,并给出数值算例,通过对此算例做的一系列数值试验,验证了算法的有效性,并得到了一些在期权交易的实际操作中有用的结果.     

含杂原子的并五苯类似物合成及场效应性能研究

以N,N'-二苯基-1,4-苯二胺为原料, 合成了含硫和氮杂原子的并五苯类似物, 用可见-紫外吸收光谱和电化学测试对这类化合物进行表征, 确定了其光学带隙及轨道能级, 与并五苯相比它们具有低的最高占用分子轨道能级. 得到了三苯并二噻嗪的单晶结构, 分子具有平面结构, 分子间具有强的π…π相互作用和N…S相互作用. 首次将该类并五苯类似物应用于有机薄膜场效应晶体管中, 器件显示好的场效应特性, 迁移率为0.01 cm²·V^-1·s^-1.