The dissociated properties of dislocation in two-dimensional triangular lattice

The dissociated core structure of dislocation in two-dimensional triangular lattice is determined by the variational method within lattice theory. The dissociation effect leads to a narrower core width of partial dislocations than the compact one. The equilibrium separation between two partial dislocations is not very sensitive to the intrinsic stacking fault energy and there exists deviation from the intrinsic stacking fault energy criterion in the continuous elastic theory of dislocation. The relationship between the equilibrium separation and intrinsic stacking fault energy is analogous in lattice theory and the Peierls-Nabarro model. But the equilibrium separation obtained in lattice theory is wider than that obtained in the Peierls-Nabarro model for the same intrinsic stacking fault energy.      

Spanning network games

We study fundamental properties of monotone network enterprises which contain public vertices and have positive and negative costs on edges and vertices. Among the properties studied are the nonemptiness of the core, characterization of nonredundant core constraints, ease of computation of the core and the nucleolus, and cases of decomposition of the core and the nucleolus. Received December 1994/Final version March 1998     

A note on the nucleolus and the kernel of the assignment game

There exist coalitional games with transferable utility which have the same core but different nucleoli. We show that this cannot happen in the case of assignment games. Whenever two assignment games have the same core, their nucleoli also coincide. To show this, we prove that the nucleolus of an assignment game coincides with that of its buyer–seller exact representative.I am grateful to C. Rafels and to the referees for their comments. Institutional support from research grants BEC 2002-00642 and SGR2001–0029 is also acknowledged.     

Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm

Salt-mediated electrostatics interactions play an essential role in biomolecular structures and dynamics. Because macromolecular systems modeled at atomic resolution contain thousands of solute atoms, the electrostatic computations constitute an expensive part of the force and energy calculations. Implicit solvent models are one way to simplify the model and associated calculations, but they are generally used in combination with standard atomic models for the solute. To approximate electrostatics interactions in models on the polymer level (e.g., supercoiled DNA) that are simulated over long times (e.g., milliseconds) using Brownian dynamics, Beard and Schlick have developed the DiSCO (Discrete Surface Charge Optimization) algorithm. DiSCO represents a macromolecular complex by a few hundred discrete charges on a surface enclosing the system modeled by the Debye-Hückel (screened Coulombic) approximation to the Poisson-Boltzmann equation, and treats the salt solution as continuum solvation. DiSCO can represent the nucleosome core particle (>12,000 atoms), for example, by 353 discrete surface charges distributed on the surfaces of a large disk for the nucleosome core particle and a slender cylinder for the histone tail; the charges are optimized with respect to the Poisson-Boltzmann solution for the electric field, yielding a approximately 5.5% residual. Because regular surfaces enclosing macromolecules are not sufficiently general and may be suboptimal for certain systems, we develop a general method to construct irregular models tailored to the geometry of macromolecules. We also compare charge optimization based on both the electric field and electrostatic potential refinement. Results indicate that irregular surfaces can lead to a more accurate approximation (lower residuals), and the refinement in terms of the electric field is more robust. We also show that surface smoothing for irregular models is important, that the charge optimization (by the TNPACK minimizer) is efficient and does not depend on the initial assigned values, and that the residual is acceptable when the distance to the model surface is close to, or larger than, the Debye length. We illustrate applications of DiSCO's model-building procedure to chromatin folding and supercoiled DNA bound to Hin and Fis proteins. DiSCO is generally applicable to other interesting macromolecular systems for which mesoscale models are appropriate, to yield a resolution between the all-atom representative and the polymer level.     

Additive stable solutions on perfect cones of cooperative games

Closed kernel systems of the coalition matrix turn out to correspond to cones of games on which the core correspondence is additive and on which the related barycentric solution is additive, stable and continuous. Different perfect cones corresponding to closed kernel systems are described. Received: December 2001/Revised: July 2002 RID="*" ID="*"  This note contains the new results, which were presented by the first author in an invited lecture at the XIV Italian Meeting on Game Theory and Applications in Ischia, July 2001. The lecture was dedicated to Irinel Dragan on the occasion of his seventieth birthday.     

Buyer-seller exactness in the assignment game

In the assignment game framework, we try to identify those assignment matrices in which no entry can be increased without changing the core of the game. These games will be called buyer-seller exact games and satisfy the condition that each mixed-pair coalition attains the corresponding matrix entry in the core of the game. For a given assignment game, a unique buyer-seller exact assignment game with the same core is proved to exist. In order to identify this matrix and to provide a characterization of those assignment games which are buyer-seller exact in terms of the assignment matrix, attainable upper and lower core bounds for the mixed-pair coalitions are found. As a consequence, an open question posed in Quint (1991) regarding a canonical representation of a “45^o-lattice” by means of the core of an assignment game can now be answered. Received: March 2002/Revised version: January 2003 RID="*" ID="*"  Institutional support from research grants BEC 2002-00642 and SGR2001-0029 is gratefully acknowledged RID="**" ID="**"  The authors thank the referees for their comments     

Maximal Classes of Topological Spaces and Domains Determined by Function Spaces

In this paper the question of what classes A of T ₀-spaces should be paired with classes of domains in order that all function spaces [AB] for AA and B are -compact domains is considered. It is shown that core compact spaces are paired with bounded complete domains and a class of topological spaces called RW-spaces (with finitely many components) is paired with the class of -compact pointed L-domains (L-domains).     

Determining Liquid Structure from the Tail of the Direct Correlation Function

In important early work, Stell showed that one can determine the pair correlation function h(r) of the hard-sphere fluid for all distances r by specifying only the tail of the direct correlation function c(r) at separations greater than the hard-core diameter. We extend this idea in a very natural way to potentials with a soft repulsive core of finite extent and a weaker and longer ranged tail. We introduce a new continuous function T(r) which reduces exactly to the tail of c(r) outside the (soft) core region and show that both h(r) and c(r) depend only on the out projection of T(r): i.e., the product of the Boltzmann factor of the repulsive core potential times T(r). Standard integral equation closures can thus be reinterpreted and assessed in terms of their predictions for the tail of c(r) and simple approximations for its form suggest new closures. A new and very efficient variational method is proposed for solving the Ornstein–Zernike equation given an approximation for the tail of c. Initial applications of these ideas to the Lennard-Jones and the hard-core Yukawa fluid are discussed.     

液芯光纤中溶液吸收和荧光的性质对CS2受激拉曼散射阈值的影响

利用液芯光纤技术研究了不同浓度的β-Carotene的CS₂溶液的吸收与荧光的特性对CS₂的一、二阶Stokes谱线阈值的影响.实验发现随溶液浓度(10^-8—10^-6 mol/L)增加，CS₂的一阶Stokes谱线的激发阈值相对变高；并且与纯CS₂芯液的受激拉曼散射相比较，在低抽运能量激发下，就观察到CS₂的二阶Stokes谱线.这主要是由于在CS₂的受激拉曼谱线产生的过程中，β-Carotene的CS₂溶液的吸收和荧光共同影响了CS₂的一、二阶Stokes谱线的阈值.我们进行了理论上的拟合与分析，其结果与实验符合很好. 关键词： 2受激拉曼散射阈值')" href="#">CS₂受激拉曼散射阈值 液芯光纤 吸收与荧光     

83 K光系统Ⅱ核心复合物不同激发的荧光光谱学

在83 K低温下,利用稳态荧光光谱技术对光系统Ⅱ（PSⅡ）核心复合物中激发能的传递进行了研究,激励波长分别选择为436 nm,480 nm,495 nm和507 nm,得到4种波长激发下的稳态荧光光谱.经过比较发现其最大峰值所在的位置没有因激发波长的不同而发生改变,都在696 nm处,在不同激发波长下经过高斯解析获得不同的谱带.根据发射光谱与吸收光谱的对应性,反映了不同的光谱特性,说明在不同波长光的激发下,核心复合物中能量传递的途径不同.同时,可以分析出在核心复合物中,至少有Chl a670.4670,Chl a684.7,685.1683,Chl a689.0687,Chl a690.9,693.4,695.2,698.06904种Chl a组分参与了能量的传递.