准三级蒸气压缩式制冷系统与两级压缩制冷系统的比较

对普通的双极压缩制冷系统进行改进,提出了一种准三级蒸汽压缩式制冷系统,在普通双极压缩制冷系统的基础上,在其低压压缩部分增加了由闪蒸器构成的补气系统,通过理论计算得出结论,与普通的两级压缩制冷系统相比,准三级蒸气压缩式制冷系统的制冷量及制冷COP,得到了明显的提高。     

The 13-atom encapsulated gold cage clusters

The structure and the magnetic moment of transition metal encapsulated in a Au 12 cage cluster have been studied by using the density functional theory.The results show that all of the transition metal atoms(TMA) can embed into the Au 12 cage and increase the stability of the clusters except Mn.Half of them have the I h or O h symmetry.The curves of binding energy have oscillation characteristics when the extra-nuclear electrons increase;the reason for this may be the interaction between parity changes of extra-nuclear electrons and Au atoms.The curves of highest occupied molecular orbital-lowest unoccupied molecular orbital(HOMO-LUMO) gap also have oscillation characteristics when the extra-nuclear electrons increase.The binding energies of many M@Au 12 clusters are much larger than that of the pure Au 13 cluster,while the gaps of some of them are less than that of Au 13,so maybe Cr@Au 12,Nb@Au 12,and W@Au 12 clusters are most stable in fact.For magnetic calculations,some clusters are quenched totally,but the Au 13 cluster has the largest magnetic moment of 5 μ B.When the number of extra-nuclear electrons of the encapsulated TMA is even,the magnetic moment of relevant M@Au 12 cluster is even,and so are the odd ones.     

Interfacial potential approach for Ag/ZnO （0001） interfaces

Systematic approaches are presented to extract the interfacial potentials from the ab initio adhesive energy of the interface system by using the Chen–M ¨obius inversion method. We focus on the interface structure of the metal（111）/Zn O（0001）in this work. The interfacial potentials of Ag–Zn and Ag–O are obtained. These potentials can be used to solve some problems about Ag/Zn O interfacial structure. Three metastable interfacial structures are investigated in order to check these potentials. Using the interfacial potentials we study the procedure of interface fracture in the Ag/Zn O（0001） interface and discuss the change of the energy, stress, and atomic structures in tensile process. The result indicates that the exact misfit dislocation reduces the total energy and softens the fracture process. Meanwhile, the formation and mobility of the vacancy near the interface are observed.     

First-principles calculation of electronic structure of MgxZn1-xO codoped with aluminium and nitrogen

Aiming at developing p-type semiconductors and modulating the band gap for photoelectronic devices and band engineering, we present the ab initio numerical simulation of the effect of codoping ZnO with Al, N and Mg on the crystal lattice and electronic structure. The simulations are based on the Perdew--Burke--Ernzerhof generalised-gradient approximation in density functional theory. Results indicate that electrons close to the Fermi level transfer effectively when Al, Mg, and N replace Zn and O atoms, and the theoretical results were consistent with the experiments. The addition of Mg leads to the variation of crystal lattice, expanse of energy band, and change of band gap. These unusual properties are explained in terms of the computed electronic structure, and the results show promise for the development of next-generation photoconducting devices in optoelectronic information science and technology.     

准三级压缩制冷系统涡旋压缩机性能的实验研究

制定准三级制冷系统用涡旋压缩机的实验方案,对改进后的涡旋压缩机进行测试.实验结果表明:在工况不变的情况下,随高压级压缩机补气压力的增加,压缩机的排气温度明显降低,但压缩机的功率有所增加,但幅度不大,故准三级制冷系统用涡旋压缩机,可以有效增加两级压缩制冷系统的运行稳定性以及压缩机的使用寿命.     

(Nd1－xErx)3Fe25Cr4.0(0≤x≤1.0) 化合物的结构与磁性

合成了(Nd1-xErx)3Fe25Cr4.0(0≤x≤1.0)系列化合物并采用x射线衍射和磁测量等手段研究了它们的结构和磁性.发现当0≤x≤0.8时化合物保持Nd3(Fe,Ti)29型结构,属于单斜晶系,A2/m空间群,当0.8＜x≤1.0时,化合物形成一种哑铃对Fe-Fe无序替代Th2Ni17结构,P63/mmc空间群.随着Er含量的增加,化合物的居里温度TC和饱和磁化强度Ms单调下降.当x=0时,Nd3Fe25Cr4.0化合物的易磁化方向非常靠近[040]方向,仅略微偏离15结构的基面,但随Er含量的增加,(Nd1-xErx)3Fe25Cr4.0化合物的易磁化方向从靠近[040]方向转向靠近[4 0 2]方向,同时与15结构的基面所成的倾角也增大.通过测量交流磁化率发现,x=0-0.4和x=1.0的化合物在低温下出现自旋重取向.在x=0-0.4的化合物中,自旋重取向温度Tm随Er含量增加单调升高.用高达13T的磁场测量难磁化方向的磁化曲线发现,在0≤x≤0.8的化合物中发生了一级磁化过程(FOMP),其临界场Bcr随Er含量的增加而降低.     

钇在加压下固体电子结构的变化及其超导电性

用自洽 LMTO 方法计算了常压和加压状况下钇的固体电子结构,用 GG 公式计算了在不同压强点钇的电声耦合系数和平均电声矩阵元.结果表明,随着压强的增加,能带电子占据数发生变化,s 分波和 P 分波电荷逐步向 d 分波和 f 分波电荷转移;电声矩阵元中 p(?)d 和 d(?)f 散射项的贡献显著增大,从而导致了 T_c 的迅速升高.     

高压下钇的固体电子结构、电声矩阵元之变化及其超导电性

本文用KKR能带方法计算了常压、220千巴和280千巴压强下钇的能带结构并作了超导电性方面的分析.结果表明,高压下钇电子-声子耦合中的系数η和平均电声矩阵元〈I~2〉随压强升高而很快增加,从而导致超导转变温度迅速提高.高压下钇费米能附近f成份增加,同时df散射项的贡献对η的增加起了主导作用.     

冻干机冷阱室内流场数值模拟与分析

分析了冻干机冷阱的工作特点和要求,建立冷阱室的物理模型和冷阱室内流体流动的控制方程;采用F luent模拟软件对冷阱室内的气流组织进行了模拟分析。通过比较分析采用导流板和不采用导流板的冷阱室内的气流组织,得到采用导流板能有效的改善室内的气流组织,使室内的流场趋于均匀。