Chiral structures and tunable magnetic moments in 3d transition metal doped Pt6 clusters

The structural, electronic, and magnetic properties of transition metal doped platinum clusters MPt6 （M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn） are systematically studied by using the relativistic all-electron density functional theory with the generalized gradient approximation. Most of the doped clusters show larger binding energies than the pure Pt7 cluster, which indicates that the doping of the transition metal atom can stabilize the pure platinum cluster. The results of the highest occupied molecular orbital （HOMO） lowest unoccupied molecular orbital （LUMO） gaps suggest that the doped clusters can have higher chemical activities than the pure Pt7 cluster. The magnetism calculations demonstrate that the variation range of the magnetic moments of the MPt6 clusters is from 0 μB to 7 μB, revealing that the MPt6 clusters have potential utility in designing new spintronic nanomaterials with tunable magnetic properties.     

Preparation of Cluster States of Atomic Qubits in Cavity QED

We propose an optical scheme to generate cluster states of atomic qubits, with each trapped in separate optical cavity, via atom-cavity-laser interaction. The quantum information of each qubit is encoded on the degenerate ground states of the atom, hence the entanglement between them is relatively stable against spontaneous emission. A single-photon source and two classical fields are employed in the present scheme. By controlling the sequence and time of atom-cavity-laser interaction, we show that the atomic cluster states can be produced deterministically.     

First-principles influence of study of GaTAs7 multi-charge on ionic cluster and its structure

This paper investigates the structures and stabilities of neutral GaTAs7 cluster and its ions in detail by using first-principles density functional theory. Many low energy structures of GaTAs7 cluster are found. It confirms that the ground state structure of neutral GaTAs7 cluster is a pentagonal prism with four face atoms like a basket structure, as reported by previous works. The ground state structures of positive Ga7As7 cluster ions are different from that of the neutral cluster. These investigations suggest that Ga atoms occupy the capping positions more easily than As atoms. Mulliken population analyses also show that Ga atoms can lose or obtain charge more easily than As atoms. It finds that the neutral GaTAs7 cluster can become more stable by gaining one or two additional electrons but further more electrons would cause the decrease of binding energy. The ionisation energy increases with the increase of the number of the removed electrons. These calculated results indicate that the net magnetic moment of the neutral GaTAs7 cluster is zero because all electrons axe paired together in their respective moleculax orbits. But for the ionic GaTAs7 cluster with odd number of electrons, the net magnetic moment is 1.0 μB due to an unpaired electron.     

集群搜索-规避对抗对策的概念和性质

讨论了集群搜索-规避对抗对策的概念，明确了对策双方的策略与最优策略的定义，给出了对策的支付函数及对策的解，讨论了最优策略及对策值的存在性。     

多个柔性梁V型集群行为节能机理研究

V型排列是自然界中常见的动物(如大雁等迁徙性鸟类)集群模式, 普遍推测该模式可以有效地降低能耗, 然而目前没有研究给出相关的直接数据证据. 开展其节能机理研究有助于提升对集群自然现象的认知水平, 为集群仿生应用打下基础. 本文采用基于Fluent二次开发的数值方法求解多个柔性体?流体介质相互作用的流固耦合问题, 其中流体动力学方程采用有限体积法进行求解, 柔性体动力学控制方程通过用户自定义模块(UDF)嵌入, 并采用模态叠加法和4阶龙格库塔法求解, 流固交界面形变使用动网格技术处理. 实现了多个自推进二维柔性梁自主形成V型集群运动过程的数值模拟, 并将得到的推进性能参数(平均速度, 输入功率和效率)与单独自推进柔性体的数据进行对比. 研究发现: 该V型集群运动中不仅后排柔性梁的速度和推进效率得到提升, 领头柔性梁性能也得到大幅提升, 增幅均超过14%. 此外, 对V型集群运动的流场细节(涡量和压力云图)开展分析, 揭示了多柔性梁V型集群行为产生的原因和节能的内在机理, 特别是对领头柔性梁的节能机理进行了阐述.      

基于强化蚁群算法的任务DAG在线网格集群资源调度

网格集群资源调度是一个NP难题,而现有的调度方法通常具有任务调度效率低和负载不均衡的问题,由此设计了一种基于强化学习算法和蚁群算法融合的协同依赖型任务调度方法;首先对基于DAG的网格集群协同调度数学模型进行了定义,然后,采用改进的一步TD算法即Q-Learning算法实现集群资源的初始分配,从而得到最优调度方案以及对应的Q值,在此基础上提出一种改进的蚁群算法实现网格集群资源到任务分配的进一步优化,将Q-Learning算法得到的分配方案的Q值用于初始化蚁群路径中的信息素,以避免蚁群的盲目搜索,同时将Q值引入路径概率函数中使得蚂蚁具有启发式的搜索能力,从而获得协同依赖多任务集群调度的最终方案;在Gridsim环境下进行仿真试验,结果表明文中方法能有效地实现网格集群调度,且较其它方法具有任务调度效率高、CPU利用率高和负载均衡的优点,具有较大的优越性。     

Generation of a Four-Particle Cluster State and Perfect Teleportation of an Arbitrary Two-Particle State in an Ion-Trap System

We propose a scheme for generating a four-particle cluster state in an ion-trap system. The scheme is insensitive to the thermal motion of the ions, and needs less operations than previous ones. With such a setup, we also demonstrate a procedure for perfectly teleporting an arbitrary two-particle state via a single multipartite entanglement channel, a four-particle cluster state.     

面向中小企业集群的非满载车辆调度问题研究

基于中小企业集群的特点,给出最少配送车辆数的计算模型,从最少配送车辆数、最短距离、各路线里程平衡和时间窗等方面对集送一体化车辆调度问题建立模型,用改进的模拟退火算法求解该调度模型.通过仿真实例验证了该算法的可行性,且符合实时性的要求.     

Structure and Luminescence Property of a Hexanuclear Thiosemicarbazone Silver（I） Cluster

A new hexanuclear silver(I) compound containing thiosemicarbazones with groups of 1-naphthalene was synthesized and structurally characterized by single-crystal X-ray diffraction,elemental analysis and fluorescence spectrum.The title compound crystallizes in monoclinic,space group P2 1 /c with a=16.101(4),b=24.855(7),c=14.492(4),β=109.730(5)°,V=5459(3)3,C 90 H 102 Ag 6 N 24 O 6 S 6,M r=2455.54,D c=1.494 g/cm 3,μ(MoKα)=1.228 mm-1,F(000)=2472,Z=2,the final R=0.0761 and wR=0.1507 for 5258 observed reflections (I > 2σ(I)).In the structure,the S atom of ligand L serves as a triply bridged chelator to connect the six silver atoms into a Ag 6 L 6 cluster.Luminescence investigation reveals that the compound exhibits two ligand-independent cluster-centered electron transfer bands and one ligand-dependent charge transfer band.