3d过渡金属原子单层在Pd(001)表面磁性的第一性原理研究

用第一性原理基础上的超软赝势方法的总能计算，研究了3d过渡金属(Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn)在Pd(001)表面的单层p(1×1)和c(2×2)结构的表面磁性和总能. 所得结果表明：对于Sc, Ti, V和Cr只存在p(1×1)的铁磁性结构，而Mn只有c(2×2)的反铁磁结构存在. Fe, Co和Ni这三种元素上述两种结构都存在，但是总能上p(1×1)的铁磁结构要低些，因此是比较稳定的结构. 而Cu和Zn在该表面上的单层中不存在上述两种结构. 对于V的p(1×1)铁磁结构，计算得到的每个V原子磁矩为2.41μ_B，大于用全电子方法得到的0.51μ_B. 两种计算方法得到其他金属原子 (Cr，Mn，Fe，Co，Ni)的表面磁矩比较相近，都比孤立原子磁矩略小. 关键词： Pd(001)表面 过渡金属原子单层 表面磁性     

Crystallization of poly(butylene adipate) in the presence of nucleating agents

The effect of nucleating agents on the polymorphic crystallization behavior of poly(butylene adipate) (PBA) was studied with four kinds of commercially available nucleating agents, such as talc and boron nitride. The crystal structures of the α and β forms were studied with wide‐angle X‐ray diffraction. The β‐to‐α‐crystal transformation of PBA in the absence and presence of the nucleating agents in isothermal crystallization and nonisothermal crystallization processes was studied with differential scanning calorimetry and polarized optical microscopy. In both isothermal and nonisothermal crystallization, the introduction of nucleating agents selectively initiated the nucleation of the α‐form crystal, which was relatively slow in the absence of nucleating agents. The nucleating activity of the four kinds of nucleating agents in the crystallization of the PBA α‐form crystal was determined by the study of the nonisothermal crystallization, spherulite morphology, and isothermal kinetics. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 2340–2351, 2005     

1000V可调脉动直流电源设计

本文将自耦调压器与升压变压器相结合，设计出了一种1000V可调脉动直流电源，构思独特，可广泛应用于可调高压大功率电源的设计。     

Dual-band negative index metamaterial: double negative at 813 nm and single negative at 772 nm

This work is concerned with the experimental demonstration of a dual-band negative index metamaterial. The sample is double negative (showing both a negative effective permeability and a negative effective permittivity) for linearly polarized light with a wavelength between 799 and 818 nm, and the real part of its refractive index is approximately -1.0 at 813 nm. The ratio of -Re(n)/Im(n) is close to 1.3 at 813 nm. For an orthogonal polarization, the same sample also exhibits a negative refractive index in the visible (at 772 nm). The spectroscopic measurements of the material are in good agreement with the results obtained from a finite-element electromagnetic solver for the actual geometry of the fabricated sample at both polarizations.     

The Cubic B-Spline Method for a Class of Caputo-Fabrizio Fractional Differential Equations北大核心CSCD

基于分数阶微积分基本定理和三次B样条理论,构造了求解线性Caputo-Fabrizio型分数阶微分方程数值解的三次B样条方法,利用分数阶微积分基本定理将初值问题转化为关于解函数的表达式,再使用三次B样条函数逼近表达式中积分项的被积函数,进而计算了一类Caputo-Fabrizio型分数阶微分方程的数值解.给出了所构造的三次B样条方法的误差估计、收敛性和稳定性的理论证明.数值实验表明,该文数值方法在求解一类Caputo-Fabrizio型分数阶微分方程数值解时具有一定的可行性和有效性,且计算精度和计算效率优于现有的两种数值方法.     

结构动力学方程数值积分的三参数算法

本文提出计算结构动力响应的三参数单步数值积分法,它具有无条件稳定性质,并具有合适的算法阻尼.通过分析及与其他数值积分法比较,说明本文算法的精度有所提高.     

三峡水利枢纽库区巫山县城新址地质环境质量预断评价

在系统分析新址地质环境条件、预断评价的目标、环境要素的构成基础上，选用敏感因子综合评价模型对新址地质环境质量进行了预断评价，分析了评价成果，提出了新城建设-地质环境系统调控措施，可作为合理制定新城规划、进行建设和环境保护的依据。     

一种四面体网格局部自适应方法在有限元中的应用

通过提出一种针对三维四面体网格的区域整形技术，给出了一种简便实用的四面体网格局部自适应加密方法，并将其与流量修正有限元法结合，应用于三维高速流的计算     

A USM-Θ two-phase turbulence model for simulating dense gas-particle flows

A second-order moment two-phase turbulence model for simulating dense gas-particle flows (USM- model), combining the unified second-order moment two-phase turbulence model for dilute gas-particle flows with the kinetic theory of particle collision, is proposed. The interaction between gas and particle turbulence is simulated using the transport equation of two-phase velocity correlation with a two-time-scale dissipation closure. The proposed model is applied to simulate dense gas-particle flows in a horizontal channel and a downer. Simulation results and their comparison with experimental results show that the model accounting for both anisotropic particle turbulence and particle-particle collision is obviously better than models accounting for only particle turbulence or only particle-particle collision. The USM- model is also better than the k--kp- model and the k--kp-p- model in that the first model can simulate the redistribution of anisotropic particle Reynolds stress components due to inter-particle collision, whereas the second and third models cannot.The project supported by the Special Funds for Major State Basic Research of China (G-1999-0222-08), the National Natural Science Foundation of China (50376004), and Ph.D. Program Foundation, Ministry of Education of China (20030007028)     

竖直椭圆管内降膜孤立波的实验研究

作者在用摄影法进行坚直椭圆管内降膜波动实验研究时证实,当Re<400时,降膜内确实存在孤立波;R_(?)>400时,存在随机波.降膜中的孤立波是由小扰动发展而成的.实验结果与理论预测的孤立波特性吻合较好.