高阶非线性波动方程的有限差分方法

本文研究一类广泛的高阶非线性波动方程组初边值问题的有限差分格式，用离散泛函分析方法和先验估计的技巧得到了有限差分格式的收敛性。     

灰色模型的最优化及其参数的直接求法

基于灰色模型的内涵表达式和白化方程响应式均为等比级数的观点,提出了一种不用求ago值、均值,不涉及灰色微分方程,白化微分方程概念,直接求灰色模型参数a,c的方法,通过此方法建立的新模型不仅从理论上可保证是在满足给定评价标准为模拟绝对误差平方和最小(或模拟相对误差平方和最小)、给定精度条件下的最优化模型,从而结束了灰色模型只有更优,没有最优的历史.并从理论上证明了新模型具有白化指数律重合性、白化系数律重合性,伸缩变换一致性.最后通过实例编程验证该方法具有可操作性,且预测精度高,效果好.     

Number albedo measurements from stratified layers of iron,concrete and aluminium

A layer of stratified combination composed of selected radiation shielding materials acquires better shielding property. Albedo is used in such measurements as an integral measure ofγ-ray scattering. The stratified slabs of alternating heterogeneous layers have been found to have a virtual homogeneous property with a definite effective atomic number. The angular distribution of back-scattered photons as well as the total number albedo values for iron, aluminium and concrete in stratified combination for 662 keV and 1250 keV photons are reported.     

一类泛函微分方程周期解的存在性与应用

本文给出了一类滞后型泛函微分方程有一个周期解的四个充分性定理，其结果明显地优于著名的Ｙｏｓｈｉｚａｗａ周期解定理，最后给出了应用实例。     

Nitroxyl free radical binding to Si(1 0 0): a combined scanning tunneling microscopy and computational modeling study

The ultra-high vacuum scanning tunneling microscope (UHV-STM) was used to investigate the addition of the 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO) radical to the Si(1 0 0) surface. Room temperature studies performed on clean Si(1 0 0)-2 × 1 confirm the proposed binding of the unpaired valence electron associated with the singly occupied molecular orbital (SOMO) of the molecule with a Si dangling bond. A strong bias dependence in the topography of isolated molecules was observed in the range of −2.0 to +2.5 V. Semiempirical and density functional calculations of TEMPO bound to a three-dimer silicon cluster model yield occupied state density isosurfaces below the highest occupied (HOMO) and unoccupied state densities isosurfaces above the lowest unoccupied molecular orbital (LUMO) which trend in qualitative agreement with the bias dependent STM topography. Furthermore, the placement of TEMPO molecules on dangling bonds was controlled with atomic precision on the monohydride Si(1 0 0) surface via electron stimulated desorption of H, demonstrating the compatibility of nitroxyl free radical binding chemistries with nanopatterning techniques such as feedback controlled lithography.     

Experimental verification of drop/impact simulation for a cellular phone

Conducting drop tests to investigate impact behavior and identify failure mechanisms of small-size electronic products is generally expensive and time-consuming. Nevertheless, strict drop/impact performance criteria for hand-held electronic products such as cellular phones play a decisive role in the design because they must withstand unexpected shocks. The design of product durability on impact has heavily relied on the designer's intuition and experience. In this study, a reliable drop/impact simulation for a cellular phone is carried out using the explicit code LS-DYNA. Subsequently globallocal experimental verification is accomplished by means of high-speed photography and impact response measurement. Using this methodology, we predict potential damage locations in a cellular phone and compare them with real statistical data. It is envisaged that development of a reliable methodology of drop/impact simulation will provide us with a powerful and efficient vehicle for improvement of the design quality and reduction of the product development cycle.     

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.     

三角B\''{e}zier曲面和四边B\''{e}zier曲面之间的相互转化

B\'{e}zier曲面有两种不同的形式:三角B\'{e}zier曲面和四边B\'{e}zier曲面,它们有着不同的基底和不同的几何拓扑结构, 但是它们也有很多共同的性质,因此三角B\'{e}zier曲面和四边B\'{e}zier曲面之间的相互转化就成为CAGD 里一个重要研究课题.在本文中, 我们用函数复合的方法实现两者之间的相互转化.被复合的两个函数, 一个用Polar形式表示,另一个用常见的Bernstein基形式表示.