The mesa problem for Neumann boundary value problem

In this paper, we study the singular limit of the Porous Medium equation u_t=Δu^m+g(x,u), as m→∞, in a bounded domain with Neumann boundary condition.     

关于振动模态参数识别的注记

回顾了关于整体拟合的分母多项式系数的争议,论证了Richardson文献中所提供的参数精度不高的原因并非源于Richardson的错误.指出一个经典考核算例的仿真传递函数生成公式不同于复模态理论提供的公式,讨论了两者之间的关系.表1,参9.     

一类时滞系统的模糊预测控制方法

对模糊控制和预测控制相结合的控制方法进行研究,提出了一种简单易于实现的模糊预测控制的组合方法.此方法将模糊控制的定性分析特点和预测控制的定量分析特点有效地结合起来,同时积分器的引入可以消除稳态偏差.仿真结果表明,该方法对控制作用的滞后时间不确定的系统十分有效.     

可压稠密气固两相流动过程的模拟计算

基于稠密气体分子运动论和颗粒动理学,建立可压稠密气固两相流动模型。采用梯度模拟来考虑气相可压缩性对气相湍流的影响。模拟计算表明气固两相射流速度沿轴向和径向减小,颗粒浓度下降。气固两相射流具有高的颗粒温度,呈现强烈的气固两相湍流流动特性。     

Dynamics of the periodic type-K competitive Kolmogorov systems

For time-periodic dissipative and irreducible type-K competitive Kolmogorov systems, it is proved that there is a canonically defined countable family F of unordered, disjoint invariant sets with the property that, for every persistent trajectory whose ω-limit set is not a cycle, there exists a unique trajectory in some element of F such that these two trajectories are asymptotic and the corresponding points in these two trajectories are K-related.     

Spin polarization effect for Tc2 molecule

Density functional method (DFT) (B3p86) of Gaussian98 has been used to optimize the structure of the Tc_2 molecule. The result shows that the ground state for Tc_2 molecule is an 11-multiple state and its electronic configuration is {}^{11}Σ_g^-, which shows the spin polarization effect of Tc_2 molecule of a transition metal element for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher energy states. So, that the ground state for Tc_2 molecule is an 11-multiple state is indicative of the spin polarization effect of Tc_2 molecule of a transition metal element: that is, there exist 10 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Tc_2 molecule is minimized. It can be concluded that the effect of parallel spin of the Tc_2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state {}^{11}Σ_g^- and other states of Tc_2 molecule are derived. Dissociation energy D_e for the ground state of T_{c2} molecule is 2.266eV, equilibrium bond length R_e is 0.2841nm, vibration frequency ω_e is 178.52cm^{-1}. Its force constants f_2, f_3, and f_4 are 0.9200aJ·nm^{-2}, --3.5700aJ·nm^{-3}, 11.2748aJ·nm^{-4} respectively. The other spectroscopic data for the ground state of Tc_2 molecule ω_eχ_e, B_e, α_e are 0.5523cm^{-1}, 0.0426cm^{-1}, 1.6331×10^{-4}cm^{-1} respectively.     

A NEW DESCRIPA NEW DESCRIPTOR OF AMINO ACIDS BASED ON THE THREEDIMENSIONAL VECTOR OF ATOMIC INTERACTION FIELD

QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (QSAR) IS A VERY IMPORTANT TOPIC FOR MANY SCIENTIFIC FIELDS AND CAN BE TERMED AS QUANTITATIVE SEQUENCE ACTIVITY MODELS(QSAM)[1] WHEN REFERRED TO THE RESEARCH ON RELATION- SHIPS BETWEEN STRUCTURES AND ACTIVITIES OF BIOLOGICAL MOLECULES, SUCH AS PROTEINS, AND NUCLEIC ACIDS. HOW- EVER, IT IS VERY DIFFICULT TO ESTABLISH A QSAM MODEL,…     

苯在Ru-Zn/Ru（0001）合金表面上的吸附——密度泛函研究

为了理解苯在Ru-Zn合金催化剂上的部分加氢催化机理,采用密度泛函方法对苯在Ru-Zn/Ru（0001）面上的吸附进行理论研究。计算结果表明,当苯的碳原子或者共轭双键直接位于表面Zn原子的atop位时,其吸附热较Ru（0001）面上的类似吸附状态下降约60%.Zn原子与苯环C原子之间的排斥作用导致苯环的成键轨道与表面Ru原子的价层轨道之间的空间对称性下降,从而不利于苯与合金表面的键合。当吸附位离开Zn原子时,邻近Zn原子对于苯的吸附基本没有影响。     

试论经验适当性真理观

介绍了经验适当性真理观,分析了存在于其中的问题,提出了协调论真理观。     

几何相似体应力-应变分布相同时的载荷关系

为了保证几何相似模型与原件具有完全相同的应力-应变分布,必须对几何相似模型施加与实际构件成对应比例的各种载荷,因此需要寻求几何相似模型在应力-应变分布完全相同时各种外加载荷的比例关系。从相似理论入手,以2端固支的矩形梁下表面边线中点的应力解析表达式为基础进行推导,得出相应的理论载荷关系,并用算例在弹塑性状态下验证了所得关系的正确性。得到的结论是:对于2个几何相似构件,若几何相似系数为kl,则当外加集中载荷的载荷系数为kl、均布线载荷的载荷系数为kl、均布面载荷的载荷系数为1时,2构件的应力-应变分布完全相同。