A giant enhancement of magnetic moment in a ternary three-shell icosahedral cluster: Fe@Mn12@Au20

ABSTRACT

The average magnetic moment per atom of Mn₁₃ cluster is expected to be enhanced by doping or coating with a shell. Several ternary core–shell icosahedral clusters TM@Mn₁₂@Au₂₀ were constructed by combining substituting the central Mn with VIII elements (Fe, Co, Ni, Ru, Rh, Pd and Pt) and coating with a icosahedral Au₂₀ shell, and systematically studied by using the first-principles density functional method. Compared to Mn₁₃, Fe@Mn₁₂@Au₂₀ cluster shows a giant enhancement on total magnetic moment (52?µ_B) which can be greatly attributed to the ferromagnetic coupling between spin moments of atoms. Coating with Au₂₀ shell enlarged the average distances of TM-Mn and Mn-Mn and is a useful way to change the magnetic coupling style. By analysis of density of states and electron localisation functional, we can conclude that the weak hybridisation between Fe and Mn in Fe@Mn₁₂@Au₂₀ is propitious to maintain their original direction of spin moments of atoms and then form ferromagnetic coupling.     

一种限制周期气固两相流直接数值模拟中整体质量流率的新方法

全周期边界条件的气固两相流系统是研究气固相互作用的一个常用计算模型。为平衡周期气固系统在流向上的受力,常对系统施加平衡系统总重力的固定压力梯度,但由于数值误差的影响,这种固定压力梯度的方法会使得气固系统整体不断加速进而导致模拟失真。为了降低系统质心加速度的影响,本文先后采用了前人提出的固定整体质量流率方法和本文提出的压力梯度后验修正方法,并对两种方法的模拟结果进行了对比。     

等离子体破裂期间电流猝灭特征研究

等离子体破裂会对托卡马克装置的安全运行造成严重威胁.等离子体破裂期间电流猝灭速率与电磁负载的大小及逃逸电流平台的形成都密切相关.本文对HL-2A装置等离子体破裂进行了统计分析,统计选用等离子电流的两个衰减区间90%-10%和80%-20%.分析结果表明:HL-2A装置等离子体破裂有四种不同的电流猝灭波形,两个衰减区间最小电流猝灭时间的参数区分别为2.6 ms和2.2 ms,并且不同衰减区间下平均电流猝灭时间统计分布明显不同.     

双参考光全息—散斑干涉术的原理和实验

本文用统计光学方法对双参考光全息——散斑干涉术进行了详尽的理论分析,给出了全息和散斑干涉场区域平均光强分布与光学系统主要参数及三维变形场各分量之间关系的解析表达式,进而讨论了离面位移和面内位移测量的上、下限,最后还给出了有关的实验结果。     

Effect of microstructure on thermoelectric properties of CSD-grown Bi2Sr2Co2Oy thin films

Three Bi₂Sr₂Co₂O_y thin films with different microstructures have been prepared by chemical solution deposition on LaAlO₃(001) through varying the annealing temperature. With the decrease in the annealing temperature, both the size and c-axis alignment degree of grains in the film decrease as well, leading to an increase in the film resistivity. In addition, the decrease in the annealing temperature also results in a slight increase in the seebeck coefficient due to the enhanced energy filtering effect of small-grain film. The nanostructured Bi₂Sr₂Co₂O_y film with the average grain size of about 100 nm shows a power factor comparable to that of the films with larger grains. Since the thermal conductivity of the nanostrcutured films can be depressed due to the enhanced phonon scattering by grain boundary, a higher figure of merit is expected in Bi₂Sr₂Co₂O_y thin film with grains in nanometer size.     

Measurements of high pT light fragments at CM 90° in 800 A MEV C + C collisions

The spectra of high-p_T fragments have been measured at CM 90° in 800 A MeV C + C collisions for p_T up to 1.8 GeV/c (proton), 2.5 GeV/c (deuteron) and 2.8 GeV/c (triton) at the Bevalac. Invariant cross sections were measured down to eight orders of magnitude lower than those for production of low momentum protons. The proton spectrum shows a significant deviation from the Boltzmann shape in the high-energy region. The spectra of deuterons and tritons are explained well by, respectively, squaring and cubing the observed proton spectra.     

光参量过程中的逆转换问题

逆转换是影响光参量变换转换效率、参量光光束质量以及参量光输出稳定性的关键因素,随光斑分布和时间变化,逆转换现象很难消除.文中分析了光参量变换过程中的逆转换问题,研究了影响逆转换的关键因素.分析得出,适当的晶体长度、优化的抽运光斑截面类型、合适的谐振腔参数(对于振荡器)有利于降低逆转换,提高参量转换效率,改善参量光光束质量.根据理论分析结果,设计了脉冲砷酸钛氧钾(KTA)光参量振荡器,实验获得了270 mJ信号光和150 mJ闲频光输出,有效地抑制了逆转换的影响,参量转化效率达到了43%. 关键词： 逆转换 光参量放大 光参量振荡     

半球蓝宝石整流罩制造技术研究

整流罩在高速飞行中既要对空气进行整流,同时又起光学窗口的作用。蓝宝石材料硬度高,加工非常困难。分别从精磨模、精磨磨料、抛光膜层、抛光辅料、机床速度和压力等方面介绍了一种加工蓝宝石整流罩的工艺方法。     

塑料光纤纤端光场测试结果及分析

对纤端光场进行了理论分析,分别利用塑料光纤和多模光纤作为接收光纤对塑料光纤的出射纤端光场进行了测量,并与理论分析结果进行了比较,给出了合理的调和参数.传输距离较长的塑料光纤由于高阶模的泄漏,纤端光场分布非常接近高斯分布.实验结果表明了理论分析结果和调和参数选择的合理性.     

高效透明导电膜荧光屏的研究

介绍了一种新型荧光屏结构,采用透明导电膜代替传统荧光屏中的铝膜作电极.分别测试了新型荧光屏和传统荧光屏的加电特性.实验结果表明新型荧光屏具有较高的耐压性能,对提高X射线变像管的空间分辨率有重要作用,而且能延长变像管的寿命.采用透明导电膜制作荧光屏还具有工艺简单,成本低和成品率高的优点.