Structured water chains in external electric fields

ABSTRACT

We study the structural, energetic and electronic properties of the structured water chain clusters within the density functional theory. We refer the structured water chains to those water clusters that have specific geometric patterns stretched along one direction. External electric field required to keep the structures open chain, thereby preventing them to form closed structures, is applied along the length of the chain. The structures are essentially periodic with basic repeating unit consisting of the corner- or edge-sharing 4-, 5- or 6-membered ring water clusters. Our calculations underscore the possible existence of such structured water clusters in the electrostatic environments, which we simulate in its simplicity employing a dipolar, uniform and static electric field. Analysis reveals that the 5-membered ring water chain clusters, i.e. the pentamer chain clusters have the lowest average dipole moment per water molecule while the threshold field, that marks the onset of the field-induced closure of the HOMO (highest occupied molecular orbital)-LUMO (lowest unoccupied molecular orbital) energy gap, is highest, followed by that for the tetramer and hexamer chains. The results suggest that the pentamer chains are the most stable clusters over a wide range of electric fields.     

Implementing a Two-Photon Three-Degrees-of-Freedom Hyper-Parallel Controlled Phase Flip Gate Through Cavity-Assisted Interactions

Hyper-parallel quantum information processing is a promising and beneficial research field. Herein, a method to implement a hyper-parallel controlled-phase-flip (hyper-CPF) gate for frequency-, spatial-, and time-bin-encoded qubits by coupling flying photons to trapped nitrogen vacancy (NV) defect centers is presented. The scheme, which differs from their conventional parallel counterparts, is specifically advantageous in decreasing against the dissipate noise, increasing the quantum channel capacity, and reducing the quantum resource overhead. The gate qubits with frequency, spatial, and time-bin degrees of freedom (DOF) are immune to quantum decoherence in optical fibers, whereas the polarization photons are easily disturbed by the ambient noise.     

A New Statistical Aspect of the Cluster Variation Method for Lattice Systems

This paper presents an alternative statistical way to derive the cluster variation method (CVM) for lattice systems. The formulation is developed for a series of different clusters, each of which is the largest overlap cluster between two clusters of the next larger type. We arrive at the CVM expression of the lattice configuration factor by deriving the number of different ways of distributing clusters of a selected type in the lattice so that they overlap each other at the largest overlap clusters in a physically correct manner. The essential assumption employed is that individual overlapping events are statistically independent of each other. This reveals a new statistical aspect of the CVM: The CVM is based on a Bethe tree of clusters of the selected type.     

一种基于分块的遥感影像并行处理机制

高性能计算的基础是集群体系下的大规模并行计算.遥感图像处理效率的提高,依赖于并行计算技术的运用.在分析了已有网格计算环境下分布式任务分配方法的基础上,针对远海遥感影像目标物数量相对较少的特点,从软件角度利用四叉树结构对目标区域进行划分,同时采用动态负载均衡的任务分配策略与并行计算的思想,提出了对影像进行并行处理的集群体系任务分配算法模型,实验表明该集群体系下任务分配模型能有效提高图像并行处理的速度.     

液态结构与性质关系Ⅱ——Mg-9Al熔体的运动黏度及与熔体微观结构的关系

采用坩埚扭摆振动法测量Mg-9Al熔体的运动黏度,得到890—1190 K温区内高精度的黏度-温度关系曲线ν(T),发现升温过程中黏度随温度升高发生异常变化,当温度升高至1000—1075 K时,黏度由快速增大转变为逐渐减小,即发生转折变化;在随后的降温和第二次升温过程中,黏度随温度变化呈指数规律单调递增(减),符合Arrhenius方程式.在实验研究基础上,采用剩余键结构模型和"平均原子集团"演变行为的计算模型讨论Mg-9Al熔体的黏度与微观结构之间的相关性,结果表明:类关键词： 合金熔体 结构与黏度相关性 剩余键结构 平均原子集团模型     

载能团簇离子诱发的非线性二次离子发射

载能团簇离子进入固体时, 由于集体相互作用,在入射路径上产生非常高的能量沉积密度。 实验发现, 载能团簇离子的作用结果并不等于团簇中各原子独立作用的总和, 而是具有非线性效应。 就二次离子发射而言, 这种非线性通常与团簇的能量、 团簇的大小、 离子的电荷态以及靶物质的结构有关。 通过研究二次离子发射有助于理解载能团簇离子与物质相互作用过程中的能量沉积与释放机制。 Using energetic cluster as projectile is a unique way to produce simultaneous impacts of several atoms and deposit extremely high energy density in a very small area. The cluster impingement on solids has exhibited some non linear effects not presented in collisions of individual atoms with those solids. The study of the secondary ion emissions can give insight into the energy deposition and relaxation steps of the cluster solid interaction. The dependence of the yields of secondary ion emission induced by clusters on the energy of clusters,cluster sizes,charge states and material structures of the targets was reviewed in this paper.     

Teleportation Capability of Six-Qubit Cluster State

Recently Wei-Bo Gao et al. [Phys. Rev. Lett. 104 （2010） 020501]; reported on the creation of a 4-photon 6-qubit cluster state. It is shown this states can be utilized for perfect teleportation of arbitrary three qubit systems and controlled teleportation of an arbitrary two-qubit state. Therefore, the six-qubit cluster state as quantum channels is equivalent to that of maximally six-qubit entangled state.     

Stability and electronic properties of the O-terminated Cu2O(111) surfaces: First-principles investigation

The effect of different vacancies on the morphology of the O-terminated Cu₂O(111) surface has been studied through the first-principles calculations. Our results show that Cu and O vacancies trigger large relaxations and formation of two different facets. Our emulated STM images are in consistent with the experimental STM patterns. A sizeable magnetic moment (∼1.0 μ_B) was found for surfaces with either Cu or O vacancies. The calculated formation energies of surface vacancies indicate that the deficient surfaces are more stable than the stoichiometric O-terminated (1×1) surface, which is also in line with our results obtained from ab initio atomistic thermodynamics studies.     

Surface‐enhanced Raman scattering and density functional theory studies of bis(4‐aminophenyl)sulfone

Raman and surface‐enhanced Raman scattering (SERS) spectra of dapsone by using colloidal silver nanoparticles have been recorded. Density functional theory was used for the optimization of ground state geometries and simulation of the vibrational spectrum of this molecule. The SERS spectrum with a large silver cluster as a model metallic surface was simulated for the first time. Taking into account the experimental and calculated Raman as well as the SERS normal modes and the corresponding assignments, along with the modeling of the free dapsone and the one in the presence of the colloidal silver nanoparticles, the importance of the sulfone group on the SERS effect in dapsone was inferred. Copyright © 2009 John Wiley & Sons, Ltd.     

From kaonic atoms to kaonic nuclei: A search for antikaon-mediated bound nuclear systems

Strong interaction processes were intensively studied at low energy with exotic atoms, touching one of the fundamental problems in hadron physic today — the still unsolved question of how hadron masses are generated. The question of the origin of the large hadron masses made up of light quarks, the current mass of the up (u) and down (d) quarks (m_u,d≈5 MeV) is two orders of magnitude smaller than a typical hadron mass of about 1 GeV, will be discussed in the context with the experimental work done in the field of exotic atoms expanded to exotic nuclei.An overview of the properties of exotic hydrogen atoms made of pions and kaons are presented, using high precision experiments unrevealing the nature of strong interaction physics at low energy. A new field which contributes to the understanding of the origin of the large hadron mass is the study of the mass modification in a nuclear medium. Antikaon mediated bound nuclear systems would be an ideal tool, if they exist, to look for chiral restoration at high density and zero temperature or even more exotic to look for phase transitions.