Electronic structures and ferroelectric properties of ABi2Ta2O9 (A=Ca, Sr, and Ba)

The electronic structures of ABi₂Ta₂O₉ (A=Ca, Sr, and Ba) were calculated by using first-principles under optimized structure. As the size of A-site cation decreases from that of Ba²⁺ to Ca²⁺, the band-gap between O 2p and Ta 5d increases from 2.0 to 2.9 eV, which responses to the stronger orbital hybridizations between Ta 5d and O 2p orbits favoring improvement of the ferroelectric property, decrease in leakage current, and increase in both spontaneous polarization and Curie temperature by the structural distortion. In contrast to CaBi₂Ta₂O₉ and SrBi₂Ta₂O₉, the hybridization between Ba 5p orbits and O 2p orbits in BaBi₂Ta₂O₉ has better structural stability.     

用遗传算法拟合电力系统负荷短期预测的非线性模型

本文运用遗传算法，根据河北省１９８５—１９９０年春节期间每小时用电量的统计数字，建立了非线性回归模型（Ｇｏｍｐｅｒｔｄｚ），结果表明，遗传算法性能良好，可望成为电力系统各种非线性模型辨识的有效手段。     

关于无界无限维商品空间上的生产经济均衡

本文研究了无界无限维商品空间上的生产经济均衡的存在性．虽然我们把商品空间看成是Ｒｉｅｓｚ空间，但并没有在它的正锥上作任何内部假设．同时我们的结果也为现代企业或公司从事经济预测、制订生产计划、改善经营管理、提高劳动生产率以及优化经济机制提供了理论依据．     

Poly[[diaqua(N,N‐dimethylformamide‐κO)manganese(II)]‐μ3‐sulfato]

In the title complex, [Mn(SO₄)(C₃H₇NO)(H₂O)₂]_n, each Mn^II ion has a distorted octahedral geometry formed by three O atoms of three different sulfate groups, one O atom of a dimethylformamide ligand and two water molecules. The sulfate groups act as tridentate bridging ligands connecting the Mn^II ions into a two‐dimensional layer structure which can be regraded as a 4.8² network.     

YZr2OZr3:Er3+纳米晶anti-Stokes发光性质的研究

采用均相沉积法制备了不同Er³⁺离子浓度掺杂的Y₂O₃纳米晶, 应用XRD，SEM和PL光谱对该体系材料进行了表征.在Y₂O₃:Er³⁺纳米材料体系中, 观察和研究了Stokes及anti-Stokes PL谱强度与Er³⁺离子摩尔浓度变化的关系, 当Er³⁺离子浓度为2.0mol%时, anti-Stokes PL强度最强.粉末X 关键词： 氧化钇纳米晶 anti-Stokes PL 双光子吸收     

矩形均匀电子束在激光介质中的能量沉积的模拟计算

本文主要论述了0.5MeV,单能垂直入射的电子束在三种不同密度的氟化氪准分子激光介质中的能量沉积。计算是采用Monte Carlo方法的MCSED程序,光轴方向采用周期性边界条件,因此能够给出平行于和垂直于电子束入射方向的沉积能量的空间分布。本文给出了在三种不同密度下的出射电子的角分布。用该程序对垂直入射的,初始能量为1MeV的电子在半无限大Al靶中的沉积能量的计算结果与ONETRAN程序的结果及实验结果的比较表明MCSED程序的计算结果是可靠的。     

Synthesis of 5‐Radioiodoarabinosyl Uridine Analog for Probing the HSV‐1 Thymidine Kinase Gene

Tumor cells transduced with herpes simplex virus thymidine kinase gene have been intensively applied to the field of positron emission tomography via imaging of its substrate. As a pilot synthesis approach, a facile preparation of 5‐[¹²⁵I] iodoarabinosyl uridine starting from commercially available uridine is reported herein.     

Chinese (Mainland) teachers’ views of effective mathematics teaching and learning

This study investigates Chinese teachers’ cultural beliefs concerning effective mathematics teaching through semi-structured interview with nine experienced teachers. For the Chinese teachers, an effective teacher should always be passionate and committed to the teaching profession. She should not only understand the knowledge in the textbook thoroughly but also be able to carefully craft the knowledge from the textbook for teaching by predicting possible students’ difficulties. Although Chinese teachers emphasize student participation and flexible teaching, they tend to see the teacher’s ability to design and lead coherent lessons as the key for facilitating students’ understanding. The result of this study helps researchers and educators understand the teacher-designed and content-oriented teaching model in Chinese classrooms.     

Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces

The adsorption behavior and thermal activation of carbon dioxide on the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces have been investigated by means of density functional theory calculations and cluster models and periodic slabs. According to the cluster models, the optimized results indicate that the basis set of C and O atoms has a distinct effect on the adsorption energy, but an indistinct one on the equilibrium geometry. For the CO₂/Cu(hkl) adsorption systems studied here, the final structure of adsorbed CO₂ is near linear and the preferred modes for the adsorption of CO₂ onto the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces are the side-on adsorption at the cross bridge site with an adsorption energy of 13.06 kJ/mol, the side-on adsorption at the short bridge site (13.54 kJ/mol), and the end-on adsorption on the on-top site with C–O bonds located along the short bridge site (26.01 kJ/mol), respectively. However, the calculated adsorption energies from periodic slabs are lower as compared to the experimental data as well as the cluster model data, indicating that the periodic slab approach of generalized gradient approximation in the density function theory may be not suitable to obtain quantitative information on the interaction of CO₂ with Cu(hkl) surfaces.     

Wavelet and harmonic filtering for distortion-invariant volume holographic correlation

The wavelet and harmonic filtering method suggested by Zalevsky and Ouzieli is introduced in this paper and adopted in our volume holographic image recognition system. This composite filter combines several scaled versions of the cascaded wavelet and harmonic filter, obtaining high discrimination ability and wide dynamic range of rotation and scale deformations. Optical experiments are conducted to demonstrate the validity and practicability of the algorithm. To the best of our knowledge, this is the first report of using this algorithm in a volume holographic system. Moreover, the separate correlation approach proposed in this paper greatly simplifies the manufacturing process and reduces the cost of the system.