Bernstein-Durrmeyer算子拟中插式的逼近

最近,为了得到更快的逼近速度,人们引入了某些著名算子的拟中插式.我们研究了Bernstein-Durrmeyer算子的拟中插式Mn(2r-1)(f,x),用Ditzian-Totik模得到了它们的正、逆定理和等价定理.这里.     

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采用粒子模拟与蒙特卡罗模型相结合(PIC/MCC)的方法,建立了氮分子气体辉光放电自洽的混合模型,其中带电粒子在电场中的运动及其产生的自洽场由PIC方法的静电模型描述,粒子间的碰撞过程由MC方法描述。模拟了放电过程及带电粒子(e、N2+、N+)在整个放电空间的行为及与之对应的自洽电场和电势的分布,通过计算带电粒子在负辉区的几率分布函数,讨论了带电粒子(e、N2+、N+)在负辉区的行为和分布特征。计算的分子离子密度与实验结果一致。     

Studies of the physical properties of Co, Cu codoped ZnO powders

Zn_0.95−xCo_0.05Cu_xO powders have been synthesized by the sol-gel method and the structural, magnetic and electrical properties of the powders have been investigated. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) indicate that the Co ions do not change the ZnO wurtzite structure. Magnetic measurements indicate that Co doping can induce room temperature (RT) ferromagnetism and the addition of Cu to the powders further increases the magnetic moment per Co ion. The effects of the introduction of Cu as an acceptor dopant in the host matrix are further studied using resistance measurements. It is demonstrated experimentally that acceptor doping plays an important role in realizing dominant ferromagnetic ordering in Co doped ZnO powders.     

Nuclear Effect Study Under K Factor's Nonconstancy

A consistent approach to estimating nuclear effect functions R_v^A(x₂) and R_s^A(x₂) based on numerical iteration technique is presented in the quark-parton model when taking into account the nonconstancy of quantum chromodynamics correction factor K. R_v^A(x₂) and R_s^A(x₂) correspond respectively to the valence quark distributions for one bound nucleon within the nucleus and to the sea quark ones. Related numerical analysis is given for nuclei ₆C¹², ₂₀Ca⁴⁰, and ₂₆Fe⁵⁶. As the basis, it adopts both experimental data of the high energy proton-nucleus Drell-Yan process and of the high energy lepton-nucleus deep inelastic scattering.     

p-A Drell-Yan Process in the Target Rest Frame

At high energies, Drell-Yan process can be viewed in the target rest frame as bremsstrahlung of massive photons, rather than parton annihilation. In this paper, the ratio of the p-A Drell-Yan cross section per nucleon for an 800 GeV proton beam incident on Fe, W, and Be targets are calculated by means of the color dipole approach in the target rest system. It is shown that our calculations can quite well fit the Fermilab E866 experimental data with considering the nuclear shadowing effect in p-A Drell-Yan process and without the energy loss effect in it.     

Quantum Logic Networks for Probabilistic and Controlled Teleportation of Unknown Quantum States

We present simplification schemes for probabilistic and controlled teleportation of the unknown quantum states of both one particle and two particles and construct efficient quantum logic networks for implementing the new schemes by means of the primitive operations consisting of single-qubit gates, two-qubit controlled-not gates, Von Neumann measurement, and classically controlled operations. In these schemes the teleportation are not always successful but with certain probability.     

TiOCl2溶液合成异形TiO2纳米粉及形成机理研究

以TiOCl2溶液为前驱物,由室温至180℃直接反应均可获得TiO2纳米晶。当反应温度低于70℃,100℃和160℃时,沉淀粒子形貌分别为针形聚集体、球型和针形单晶。相应反应温度下所得沉淀的晶型分别为金红石型、混晶和金红石型。晶体的形貌和粒子的均一性强烈依赖于反应温度和成核与成长速率。详细讨论了TiOCl2溶液在各个温区的水解及TiO2粒子的形成机理。     

CH3NO异构体及异构化反应机理的量子化学研究

在CCSD(T)/6-311＋＋G(d,p)//B3LYP/6-311＋＋G(d,p)水平上对CH₃NO的异构体及各异构化反应机理进行了详细的理论研究. 包括CH₃NO共找到了23种异构体, 这23种异构体间通过24个过渡态相互转化. 用振动频率分析证实了过渡态的真实性, 内禀反应坐标跟踪(IRC)计算验证了过渡态与各异构体的连接关系. 计算结果表明, 在CH₃NO的各种异构体中, 分子骨架中存在N—C—O结构是最稳定的, 而C—O—N, C—N—O结构能量最高, 不稳定. 异构体间的异构化反应主要通过化学键的旋转, H迁移, C, N, O骨架的重组及包含上述两种机理的混合型机理等4种方式完成.     

钇复合氧化物颜料的制备与表征

通过尿素分解法,把三价铬离子掺入到钇铝石榴石Y₃Al₅O₁₂中,采用共沉淀法制备出绿色颜料。扫描电镜测试表明产物颗粒直径在200 nm左右,用XRD测试复合氧化物的结晶相行为,确定主相是钇铝石榴石相,用紫外可见漫反射光谱测试掺杂离子的配位状态和电子跃迁行为,用色度学测试氧化物颜色特征。将复合氧化物颜料颗粒与高分子聚丙烯共混,熔体纺丝,并通过北京同步辐射X射线CT对制得的纤维加以测试,结果表明复合氧化物颜料在高分子基质中得到良好的分散。这种颜料性能稳定,对环境友好,为实现无水印染技术奠定基础,减少纺织印染工业中所排放的污水。     

(CH2)2O, (CH2)2S与双卤分子间卤键的理论研究

运用量子化学密度泛函B3LYP方法, 采用6-311＋＋G(d,p)及aug-cc-pVDZ基组, 通过CP校正的几何梯度优化对(CH2)2O和(CH2)2S与双卤分子XY (XY＝Cl2, Br2, ClF, BrF, BrCl)形成的卤键复合物的几何构型、振动频率和相互作用能等进行了研究. 利用电子密度拓扑分析理论方法对卤键复合物的拓扑性质进行了分析研究, 探讨了该类分子间卤键的作用本质. 结果表明, (CH2)2O和(CH2)2S与双卤分子间的卤键介于共价键与离子键之间, 偏于静电作用成分为主. 形成卤键后, 双卤分子的键长增加, 振动频率减小, 原子积分性质发生改变. 卤键键长的变化、键能的强弱、键鞍点处的电子密度值与双卤分子的电负性有关.