室温下压致铁钴镍合金的bcc→hcp相变

 本文采用高压X光衍射方法在金刚石对顶压砧中在位地（in situ）研究了Fe₆₈Co₂₄Ni₈（wt%）合金在室温下的压致bcc→hcp结构相变和直到40.5 GPa的等温压缩行为。实验结果表明该合金在常压下为bcc结构，晶格常数a₀=(0.287 0±0.000 1) nm，体积V₀=(7.119±0.007) cm³/mol，密度ρ₀=(7.981±0.008) g/cm³；在20.9 GPa附近出现bcc→hcp结构相变，两相共存压力区约10 GPa，在此区域内有晶面间距d(002)_hcp=d(110)_bcc，且原子平面(002)_hcp//(110)_bcc，hcp相比bcc相体积减小(0.33±0.02) cm³/mol；高压相hcp结构的晶格参数比值c/a=1.608±0.004；相变后原子配位数的增加使得hcp相(002)平面内及(002)平面间的最近邻原子间距比bcc相最近邻原子间距分别增大约1.6%和0.5%；用Murnaghan状态方程对实验数据进行最小二乘法拟合，得到bcc相B₀=(130±13) GPa，B₀'=12.6±0.5；hcp相V₀=(6.62±0.04) cm³/mol，B₀=(243±21) GPa，B₀'=6.8±0.3；对于该合金的bcc→fcp相变时的结构转变机制做了详细的讨论。     

Classical limit of relativistic quantal system with attractive Coulomb interaction

Using the appropriate harmonic oscillator states and reasonable approximations, we construct coherent wavepackets corresponding to the solutions of the Klein-Gordon equation for the attractive potentialV(r)=−k/r, k>0, in two and three space dimensions. We deduce the corresponding classical limit in two dimension by requiring that the expectation value 〈r〉 of the radial variable is large. In the case of three dimensions, besides the condition of large 〈r〉, we make the uncertainty Δr=[〈r ²〉 − 〈r〉²]^1/2 a minimum with respect to certain parameter of the wavepacket. We then investigate the trajectory traversed by the wavepacket in the classical limit. We find that the classical limit of this relativistic quantal problem gives, in the leading order, the same expression for the rate of motion of the perihelion as that given by the solution of the corresponding special relativistic classical dynamical problem. We also briefly discuss some of the subtle aspects of the classical limit of the relativistic quantal system, in general.     

Topochemically Controlled Redox Reactions in the System In/Sn/Cl

The difference in reactivity of the two modifications of InCl in solid state reactions with SnCl₂ is discussed. It is explained on the basis of semi‐empirical and ab initio calculations giving the density of states diagrams of InCl and the energies of possible disproportionation reactions. Their general features are discussed on the basis of a simple bonding picture for open‐packed structures involving inert pair elements. A detailed analysis of the DOS distribution allows to pinpoint the observed redox instability to a specific structural feature of α‐InCl.     

极性晶体外表面电子的量子像势及其极化子的基态能量

本从与真空接触的存在二支声子的半无限极性晶体表面附近极化子的哈密顿算符入手，应用二支模型理论，分别对GaAs和ZnO两种材料计算了外表面电子的量子像势及其极化子的基态能量，计算结果表明，利用二支模型理论求出的外表面极化子的基态能量与利用一支模型理论求出的外表在面极化子的基态能量相差较大，对GaAs，误差约为31.1%, 对ZnO，误差约为14.8%。     

Exchange环的K0群的正向凸子群格

本文证明了：(1)Exchange环R的K0群的正向凸子群格同构于R的稳定余有限半本原理想格；(2)稳定有限、半本原的exchange环R是单的当且仅当它是K0-单的并且满足逼近弱s^*—可比性，推广了Goodearl，Ara等人的结果。     

Quantum Key Distribution Using Four-Qubit W State

A new theoretical quantum key distribution scheme based on entanglement swapping is proposed, where four-qubit symmetric W state functions as quantum channel. It is shown that two legitimate users can secretly share a series of key bits by using Bell-state measurements and classical communication.     

Territories,corridors, and networks: A biological model for the premodern state

When depicted on maps as homogenous territorial wholes, ancient states are visually summarized as static entities in a way that conceals the highly fluid dynamics of polity formation, maintenance, and growth. Models derived from studies of animal behavior show that “territory” does not consist of an undifferentiated use of the landscape. Instead, the concept of territory can be parsed into a series of resource‐rich nodes linked by corridors of access, surrounded by unutilized regions and boundaries marked at points of competition. Ancient human groups also can be analyzed as having perceived and occupied landscapes through strategies of flexible networks in which nodes and corridors were surrounded by unutilized spaces around which boundaries were selectively identified and defended. This strategy is identifiable in human social groups at different levels of complexity ranging from hunter‐gatherers through ancient chiefdoms and states. © 2007 Wiley Periodicals, Inc. Complexity 12: 28–35, 2007     

Sequential nonlinear estimation with nonaugmented priors

How can the basic compatibility of theory and observations be investigated for nonlinear processes without requiring stochastic characterizations for residual error terms? The present paper proposes a flexible least-cost approach. For each possible estimatex for the sequence of process states, letc _D (x) andx _M(x) denote the costs incurred for deviations away from the prior dynamic specifications and prior measurement specifications, respectively. Define the cost-efficiency frontier to be the greatest lower bound for the set of all possible cost pairs [c _D (x),c _M(x)], conditional on the given observations. State sequence estimatesx that attain the cost-efficiency frontier indicate the possible ways that the actual process could have developed over time in a manner minimally incompatible with the prior dynamic and measurement specifications. An algorithm is developed for the exact sequential updating of the cost-efficient state sequence estimates as the duration of the process increases and additional observations are obtained.     

Li2、LiH的激发态和Li2H的基态结构与势能函数

使用“对称性匹配簇-组态相互作用”方法,对Li2分子三重态的第一激发态、LiH分子的基态、单重态的第一和第二激发态的几何构型与谐振频率进行了优化计算.利用“群操作求和”方法分别对这4个态进行单点能扫描计算,并拟合出了相应各态的Murrell-Sorbie势能函数.使用多种方法对Li2H分子的基态结构进行优化,并用优选出的密度泛函(B3P86)方法对该分子进行了进一步的频率计算.结果发现Li2H分子的基态稳态结构为C2v构型,在此基础上用多体项展式理论导出了它的解析势能函数,其等值势能图准确再现了Li2H分子的结构特征和离解能.首次报导了该分子对称伸缩振动等值势能图中存在的两个对称鞍点,对应于反应LiH Li→Li2H,活化能大约为18.7×4.184 KJ/mol.