Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk Cu

As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is desirable to have a clear picture of the errors introduced by currently popular approximate exchange-correlation functionals. We have performed ab initio density functional theory and density functional perturbation theory calculations to investigate the thermal properties of bulk Cu, using both the local density approximation (LDA) and the generalized gradient approximation (GGA). Thermal effects are treated within the quasiharmonic approximation. We find that the LDA and GGA errors for anharmonic quantities are an order of magnitude smaller than for harmonic quantities; we argue that this might be a general feature. We also obtain much closer agreement with experiment than earlier, more approximate calculations.     

Electronic properties of magnetically doped nanotubes

Effect of doping of carbon nanotubes by magnetic transition metal atoms has been considered in this paper. In the case of semiconducting tubes, it was found that the system has zero magnetization, whereas in metallic tubes the valence electrons of the tube screen the magnetization of the dopants: the coupling to the tube is usually antiferromagnetic (except for Cr).     

An Improved Immune Genetic Algorithm for Solving the Optimization Problems of Computer Communication Networks

1　IntroductionIndesigningacomputercommunicationnet work ,thenetworkaveragedelayisanimportantpa rameterinthenetworkperformance .Inthispaper,weonlyconsiderM /M/1networks,whichmeansthatthemessageprocessingtimeisaprobabilisticdensityfunctionwithnegativepower,thegroupar rivalandsendingisofPoissiondistributionwithasinglequeue .Supposethatthenetworktopologicalstructureandtheestimatesoftheexternaltrafficrequirementsaregiven ,howtoselecttheoptimalroutestobeusedbythecommunicatingnodesinthenetworksoast…     

流量比对等离子体基团分布和薄膜结构的影响

使用光强标定的发射光谱(AOES)测量了CHF3／C6H6混合气体的微波电子回旋共振(ECR)放电等离子体中基团的分布状态。实验发现随着CHF3流量的增加，成膜基团CF、CF2、CH等的相对密度增大，而刻蚀基团F的密度也会增加，从而使得a—C：F薄膜的沉积速率降低。同时红外吸收谱(IR)分析表明，在高CHF3流量下沉积的a—C：F薄膜中含有更高的C—F键成分。可见在a—C：F薄膜的制备中CHF3／(CHF3 C6H6)流量比是重要的控制参量。     

GMSK无线接收终端设计

设计了GMSK(Gauss Minimum Shift Keying，高斯最小频移键控)无线接收终端的硬件与软件系统。硬件的射频电路对空中信号进行接收与滤波，再由以MX589构成的解调模块解调，输出数字信号；数字硬件以单片机GMS97L5为核心。软件系统设计了对IC卡AT88SCl608加密卡的认证以及对串行数据的接收与处理的中断程序。终端系统接收数据快、性能稳定。     

Contact stresses in an infinite plate containing a smooth circular insert under thermal load

Summary. A solution is presented for the contact problem with a smooth circular elastic insert in an infinite, linearly elastic plate under thermal load. The thermal load considered here includes the temperature gradient applied at infinity and a uniform temperature change. One of the major difficult parts in solving the present problem is that separation may occur between an insert or inclusion and the surrounding matrix under a nonuniform expansion of the matrix and the insert due to a temperature change. Based on the complex potential theory and the method of analytical continuation, the problem is reduced to a singular integro-differential equation which is solved numerically. Results are presented for the contact angle and for the normal and circumferential stresses at the plate-insert interface. Exact solutions are found for the current problem for a special case when the material properties of the plate and the insert are identical.     

天然气吸附储存脱附过程的动态模拟

通过热动力学计算,认识了脱附过程当中储罐内温度剖面分布的典型特征:储罐轴心处的温度下降幅度最大。分析了脱附过程当中储罐壁的热交换、吸附剂的导热系数以及储罐内的初始压力对储罐内的温度剖面的影响。结论是加强储罐外壁的热交换、增大吸附剂的导热系数皆能改善吸附储罐内的温度剖面。     

Modeling and performance evaluation of a cellular mobile network

An analytic model of cellular mobile communications networks with instantaneous movement is investigated in this paper. This cellular mobile network is showed to be equivalent to a queueing network and furthermore the equilibrium distribution of this cellular mobile network is proved to have a product form. The explicit expressions for handoff rates of calls from one cell to another, the blocking probability of new calls and handoff calls are then obtained. Actual call connection time (ACCT) of a call in this cellular mobile network is characterized in detail, which is the total time a mobile user engages in communications over the network during a call connection and can be used to design appropriate charging schemes. The average ACCT for both complete call and incomplete call, as well as the probability for a call to be incomplete or complete, are derived. Our numerical results show how the above measures depend on the new call arrival process for some specific reserved channels numbers in each cell. The results presented in this paper are expected to be useful for the cost analysis for updating location and paging in cellular mobile network.     

光学材料的激光微加工研究进展与应用前景

综述了国内外在光学材料激光微加工方面的研究成果和应用状况，并展望了其发展前景。     

Simulations of Temperature Field in HFCVD Diamond Films over Large Area

A three-dimensional model was developed to investigate the influence of various hot filaments parameters on substrate temperature fields that significantly affect the nucleation and growth of diamond films over large area by hot-filament chemical vapordeposition (HFCVD). Numerical simulated results indicated that substrate temperature varies as a function of hot filamentsnumber, radius, temperature, emissivity, the distance between filaments, and the distance between substrate and filamentsarrangement plane. When these filaments parameters were maintained at the optimal values, the homogeneous substrate temperature region of 76 mm×76 mm with the temperature fluctuation no more than 5% could be obtained by a 80 mm×80 mmhot filaments arrangement plane. Furthermore, the homogeneous region could be enlarged to 100 mm×100 mm under thecondition of supplementary hot filaments with appropriate parameters. All of these calculations provided the basis for speciallyoptimizing the hot filaments parameters to dep