Intermolecular interaction potentials of methane－argon complex calculated using LDA approaches

The intermolecular interaction potential for methane－argon complex is calculated by local density approximation (LDA) approaches. The calculated potential has a minimum when the intermolecular distance of methane－argon complex is 6.75 a.u.; the corresponding depth of the potential is 0.0163eV which has good agreement with experimental data. We also have made a nonlinear fitting of our results for the Lennard-Jones (12-6) potential function and obtain that V(R)=143794365.332/R^{12}-3032.093 / R^6 (R in a.u. and V(R) in eV).     

用超磁致伸缩调谐光纤光栅的光分/插复用器

提出并研究了一种新型多信道切换的全光分/插复用器,它主要由光纤Bragg光栅(FBG)和一对光环行器组成.采用了一种高效的超磁致伸缩材料(GMM)使FBG产生有效的Bragg波长偏移.用控制电流来调控FBG的应变和Bragg波长偏移.用4只相同的FBG与波长叠加技术相结合,可建立能提供15种不同下路信道方式的OADM.     

Si(001)衬底上分子束外延生长Ge0.975Sn0.025合金薄膜

使用低、高温两步法生长的高质量Ge薄膜作为缓冲层,在Si(001)衬底上采用分子束外延法生长出Ge_0.975Sn_0.025合金薄膜.X射线双晶衍射和卢瑟福背散射谱等测试结果表明,Ge_0.975Sn_0.025合金薄膜具有很好的晶体质量,并且没有发生Sn表面分凝.另外,Ge_0.975Sn_0.025合金薄膜在500 ℃下具有很好的热稳定性,有望在Si基光电器件中得到应用. 关键词： GeSn Ge 分子束外延 外延生长     

Bi2Te3-xSex(x≤3)同晶化合物电子结构的第一性原理研究

本文采用基于密度泛函理论的第一性原理全势能线性缀加平面波方法(FLAPW),分析了Bi₂Te_3-xSe_x体系中各原子自旋轨道耦合(SOI)的p_1/2修正对体系性质的影响,并对Bi₂Te_3-xSe_x(x≤3)同晶化合物的电子特性进行系统的理论研究,首次计算出Bi₂S 关键词： 2Te_3-xSe_x(x≤3)同晶化合物')" href="#">Bi₂Te_3-xSe_x(x≤3)同晶化合物 第一性原理 电子结构 自旋轨道耦合     

基于高介电常数基板和金属结构负折射材料的设计,仿真与验证

通过将单回路镜像对称开口金属环结构印制在高介电常数基板上,实现了一种金属含量比传统负折射材料更少,"双负"通带比全介质负折射材料更宽的负折射材料.分析了高介电常数基板产生负介电常数以及"双负"通带形成的机理,通过仿真实验分析了影响"双负"通带的因素.通过制作样品验证了这一机理实现"双负"的可行性,理论分析与实验结果都表明这种方法可实现较宽频段内的"双负"通带. 关键词： 负折射材料 负介电常数 负磁导率 介质谐振器原理     

太赫兹波在一维反铁磁/电介质准周期光子晶体的传输性质

本文利用传递矩阵方法研究了电磁波倾斜入射时,一维反铁磁/电介质准周期光子晶体的透射性质.反铁磁层和电介质层按Fibonacci数列排列构成准周期光子晶体.通过数值模拟发现光子禁带中有透射峰出现, 而且随着准周期光子晶体级数的增加透射峰的数目也在增加.此外,透射峰受电介质层的介电常数、入射角度和电磁波偏振影响明显. 关键词： 反铁磁层 准周期光子晶体 太赫兹波传输性质     

基于桥域理论的Cu单晶纳米切削跨尺度仿真研究

桥域方法是一种典型的跨尺度仿真研究方法.基于桥域理论,本文分析了原子和连续介质耦合区域的处理问题,即在耦合区采用不同的权重计算系统的能量,通过Lagrange乘子法对原子和连续介质位移进行约束.采用桥域方法,建立了单晶Cu米纳切削的跨尺度仿真模型,获得了单晶Cu纳米切削的材料变形机理.同时,研究了不同切削速度对纳米切削过程和原子受力分布的影响,仿真结果表明:随着切削速度的提高,切削区原子所受的力值增大,切屑变形系数减小,已加工表面变质层厚度增加.本文基于桥域理论,实现了Cu单晶纳米切削跨尺度的建模和仿真, 关键词： 桥域法 纳米切削 单晶Cu 切削速度     

Atomistic simulation of site preference, Curie temperature, and lattice vibration of Nd2Co7 - xFex

The effects of Fe substitution for Co on the structural stability and the site preference of intermetallics Nd 2 Co 7-x Fe x with a hexagonal Ce 2 Ni 7-type structure are studied by using a series of interatomic pair potentials.In Nd 2 Co 7-x Fe x,Fe atoms are substituted for Co atoms with a strong preference for the 6h sites and the order of site preference is 6h,4e,4f,2a,and 12k.Calculated lattice parameters are found to be consistent with the reported results in the literature.The variation behaviour of the Curie temperature of Nd 2 Co 7-x Fe x is explained qualitatively by the exchange interaction model.The properties related to lattice vibration,such as phonon density of states and Debye temperature,are first evaluated for the Nd 2 Co 7-x Fe x compounds.     

Azimuthal anisotropy and correlations at large transverse momenta in p + p and Au + Au collisions at square root sNN=200 GeV

Results on high transverse momentum charged particle emission with respect to the reaction plane are presented for Au + Au collisions at square root s(NN)=200 GeV. Two- and four-particle correlations results are presented as well as a comparison of azimuthal correlations in Au + Au collisions to those in p + p at the same energy. The elliptic anisotropy v(2) is found to reach its maximum at p(t) approximately 3 GeV/c, then decrease slowly and remain significant up to p(t) approximately 7-10 GeV/c. Stronger suppression is found in the back-to-back high-p(t) particle correlations for particles emitted out of plane compared to those emitted in plane. The centrality dependence of v(2) at intermediate p(t) is compared to simple models based on jet quenching.     

用于高功率激光装置中的电脉冲整形系统

采用射频GaAs场效应管和微带传输线技术,研制出用于高功率激光装置中的电脉冲整形系统.该系统电脉冲整形宽度为3.5 ns,幅度在0~5 V范围内调节,时域调整精度200 ps.整形后的方波,前沿383 ps,后沿642 ps,顶部不平坦度4~5%,波形幅度稳定性4~5%（p-p).利用该系统产生的整形电脉冲驱动电光波导调制器进行激光脉冲整形,得到了理想的整形激光脉冲.