C_nP_4~4(n=1～7)团簇结构与能量的密度泛函研究

使用分子图形软件设计出多种CnP-4(n =1～ 7)的结构模型 ,并进行B3LYP密度泛函几何构型优化和振动频率计算 .最稳定的CP-4和C2 P-3 都是平面环状结构 .最稳定的CnP-4(n =3 ,5 ,7)结构在直碳链的一端连接 1个磷原子且另一端是P3 C的四元环的平面结构 .最稳定的CnP-4(n =4,6)结构在直碳链的一端连接 1个磷原子且另一端是P3 的三元环的锄状结构 .直碳链可与平面环的磷原子生成大π键 .大多数构型是由C2 ,C3 ,C4子结构以环状或链状方式组成的 .碳原子与磷原子以交替方式排列的结构数量少、能量高 .     

Time-Resolved Investigation of Ionization of Clusters Irradiated by a Strong Laser

Ionization dynamics of clusters irradiated by chirped femtosecond lasers is investigated by using a linearly chirped pulse spectral interferometry with a time resolution of less than lOOfs. The production of an average charged-Xe^18 and -Kr^9 ions indicates a strong energy coupling between laser and cluster. Ultrafast depletion of the probing laser is observed to be strictly coincident with the ionization front as seen in other experiments. Moreover,a two-step ionization process for Xe and Kr clusters irradiated by high-intensity lasers has been observed, which implies the role of resonance enhancement during the cluster explosion.     

A Heterogeneous Agent Herding Model with Time and Space Effect

We propose a heterogeneous agent herding model, in which the agent clusters are in active or inactive states. When agent clusters are in active states, they tend to buy or sell. In active states, an exchange may occur when two heterogeneous agent clusters encounter each other, and they may merge into a bigger one when two homogeneous agent clusters meet. The ratio of successful exchange or merging depends on two parameters： i.e. the reliability κ, reflecting the credible degree in the interacting agent clusters, being the space effect of the market, and the response degree q, reflecting the influence of the former trading to the current action, being the time effect of the market. Our numerical calculation shows that the dynamics of the model exhibits some behaviour very close to real markets when tuning the reliability and the degree of reaction to some specific values.     

完全三部图K(n-k,n,n)的色唯一性

通过对图的特征子图个数的比较,给出了图K(n-k,n,n)色唯一性的数值条件.     

FULL DISCRETE NONLINEAR GALERKIN METHOD FOR THE NAVIER-STOKES EQUATIONS

This paper deals with the inertial manifold and the approximate inertial manifold concepts of the Navier-Stokes equations with nonhomogeneous boundary conditions and inertial algorithm. Furtheremore, we provide the error estimates of the approximate solutions of the Navier-Stokes Equations.     

Na3的电子结构与构形

应用离散变分方法，计算了Ｎａ３的基态势能面，并由此得到平衡构形参数、振动频率、Ｊａｈｎ－Ｔｅｌｌｅｒ稳定能Ｊａｈｎ－Ｔｅｌｌｅｒ局域能等，所得结果与实验符合得较好。     

铜原子纳米团簇热力学性质的分子动力学模拟研究

本文利用分子动力学模拟方法，研究了CuN（N=80、140、216、312、408、500、628和736）纳米团簇在热化和冷凝过程中结构和热力学性质的变化，模型采用的是Johnson的EAM作用势．模拟结果表明：铜团簇的熔点和凝固。点随其尺寸线性增加，并逐渐向大块晶体靠拢；所有团簇的凝固。羔都低于熔点，出现凝固过程中的滞后现象；在熔点和凝固点附近，团簇都具有负热容特性，负热容是由相变前后团簇内部结构突变引起的。     

图类^－αKα,αUβCP（b）中的一类特殊整谱图

图G是一个简单，图G的补图记为^－G，如果G的谱完全由整数组成，就称G是整谱图，鸡尾酒会图CP（n）=K2n-nK2（K2n是完全图）和完全二部图Kα,α都是整谱图^[1]。^—μ1表示图类^－αKα,αUβCP（b）的一个主特征值，本文确图了当^-μ1=2b＋1时，图类中^－αKα,αUβCP（b）的所有的整谱图。     

BES桶部簇射计数器的设计与建造

本文描述了北京谱仪(BES)桶部簇射计数器(BSC)的设计与建造.桶部簇射计数器为圆桶形,内径2.5m;外径3.4m;长3.85m,承重铝桶直径为2.5m;厚3cm;长4.23m.由23层铅(每层0.5r.l.)和24层自猝灭流光(SQS)管组成,重40吨,覆盖立体角为4π×80%.     

各向异性接合材料界面端部场数值分析

为了求解各向异性接合材料界面端部奇异性应力场,建立了一种新型杂交元模型.该模型的独特之处在于:基于有限元特征法得到的奇异性场数值特征解建立了一种新型界面端奇异单元.通过算例证明,新型杂交元模型能够利用较少的单元数获得较为精确的数值结果.当前模型应用范围广泛,能够用于复杂结构的界面端部场求解.