The self-consistent mean spherical approximation for the one-component plasma

The consequences of choosing the adjustable hard-core diameter in the mean spherical approximation for the one-component plasma so as to achieve thermodynamic consistency between the energy and compressibility equations are investigated. Such a choice is found to be possible only for >8.5 and, although the resulting correlation functions are discontinuous, the height of the main peak in the static structure factor is remarkably accurate. Two especially noteworthy aspects of the thermodynamic results are that the compressibility equation is much more accurate than in any previous approximation free of input from computer simulations and that the nonstatic part of the internal energy has a ^1/4 dependence in the strong coupling limit in agreement with Monte Carlo data.     

有机-无机纳米复合材料光谱与电子性质研究进展

有机-无机纳米复合材料的研究在当前纳米科学技术的发展中占有重要地位，开创了材料与催化科学研究的新纪元。自从10年前首次合成纳米孔无机材料MCM-41至今，该领域研究不断深入，已展现出广阔的应用前景。当客体有机分子分散于纳米孔道内部时，其分子性质将产生明显变化。本文结合作者近期研究成果，力图从实验与理论两方面阐明在纳米复合体系中客体分子性质变化的原因。     

高次非球面光路计算中的两个重要问题

提出在高次非球面的光路计算中运用变曲率的“辅助球面”概念,对某些文献在此方面存在的问题进行分析,提出迭代逼近精度的数值判据及浮动处理方法。     

Preparation and characterization of polypropylene/mesoporous silica nanocomposites with confined polypropylene

Polypropylene (PP)/Ti-MCM-41 nanocomposites were prepared by isospecific propylene polymerization with Ti-MCM-41/Al(i-C₄H₉)₃ catalyst. The cross polarization/magic angle spinning (CP/MAS) ¹³C NMR spectrum of the composite was similar to that of the conventional isotactic PP, and the decrease in the pore volume of Ti-MCM-41 in the nanocomposites, as measured by N₂ adsorption, was consistent with the value calculated from the weight loss in the thermogravimetric analysis (TGA) curve; both these facts attest to propylene polymerization within the mesopores of Ti-MCM-41. Alkali treatment followed by extraction with o-dichlorobenzene allows us to extract the confined PP out of the Ti-MCM-41 mesopores. Although the PP/Ti-MCM-41 nanocomposites do not exhibit a crystalline melting point, the same PP when extracted from the mesopores showed a clear melting point at 154.7 °C; this indicates that the crystallization of PP confined in mesopores is strongly hindered. For the PP polymerized within the confinement, the molecular weight (M_w) and molecular weight distribution (M_w/M_n) were 84,000 and 4.3, respectively; these values were considerably smaller than those of the PP polymerized concurrently outside the Ti-MCM-41 mesopores (M_w = 200,000–450,000, M_w/M_n = 40–75). Therefore, the confinement also has a marked effect on the molecular weight of the PP. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 3324–3332, 2003     

Low-energy points on the sphere and the real projective plane

We present a generalization of a family of points on ${\mathbb{S}}^2$, the Diamond ensemble, containing collections of N points on ${\mathbb{S}}^2$ with very small logarithmic energy for all $N\in \mathbb{N}$. We extend this construction to the real projective plane ${\mathbb{RP}}^2$ and we obtain upper and lower bounds with explicit constants for the Green and logarithmic energy on this last space.     

Multipod structures of lamellae‐forming diblock copolymers in three‐dimensional confinement spaces: Experimental observation and computer simulation

The three‐dimensional (3D) confinement effect on the microphase‐separated structure of a diblock copolymer was investigated both experimentally and computationally. Block copolymer nanoparticles were prepared by adding a poor solvent into a block copolymer solution and subsequently evaporating the good solvent. The 3D structures of the nanoparticles were quantitatively determined with transmission electron microtomography (TEMT). TEMT observations revealed that various complex structures, including tennis‐ball, mushroom‐like, and multipod structures, were formed in the 3D confinement. Detailed structural analysis, showed that one block of the diblock copolymer slightly prefers to segregate into the particle surface compared with the other block. The observed structures were further elaborated using cell dynamics computer simulation. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016 , 54, 1702–1709     

Deflagration-to-detonation transition process for spherical aluminum dust/epoxypropane mist/air mixtures in a large-scale experimental tube

The deflagration-to-detonation transitions (DDTs) for clouds of spherical aluminum dust (SAD) mixed with air or epoxypropane mist (EPM) and air were investigated in a 29.6-m-long experimental tube of 199 mm in diameter. The clouds formed through the injection of SAD and SAD/liquid epoxypropane samples into the experimental tube. Explosions of the SAD/air mixture were initiated using a 7-m-long EPM/air cloud explosion ignited by a 40-J electric spark. Explosions in SAD/EPM/air clouds were initiated using a 1...     

Size‐dependent mechanical properties of glassy polymer nanofibers via molecular dynamics simulations

The microstructure of polymer matrix under cylindrical confinement is key to understanding the size‐dependent thermomechanical behavior of electrospun nanofibers. Coarse‐grained molecular dynamics simulation was applied here to probe polymer systems under cylindrical confinement, prepared with or without pre‐stretching. Simulation results showed that below a certain radius, a noticeable increase of the elastic modulus is observed with the decrease of the radius of cylindrical confinement. This size‐dependent mechanical behavior correlated to the degree of polymer chain orientation. Modulation of density and bond orientation in the radial direction was observed: the density and bond orientation began to oscillate, increasing the oscillation amplitudes with decreases in the radius. Such behavior suggests that the cylindrical confinement enhances the bond alignment of the entire fiber and not in the near‐surface layers only. The unstretched fibers had uniform density distribution along the fiber axis, while the stretched fibers demonstrated a fluctuation in density distribution. The crossover radius of size‐dependent behavior was two orders of magnitude smaller than observed in real experiments, demonstrating that the confinement affects some internal fiber scale, which exceeds the scale of individual macromolecules, and this internal scale may be related to supramolecular structures of the polymer matrix rather than the individual macromolecules. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017 , 55, 506–514     

Size-dependent visible photoluminescence from ZnO nanoparticles prepared via SiO2 network

This study reports a simple method for the synthesis of different size of wurtzite ZnO nanoparticles in assistance of tetraethyl orthosilicate (TEOS). With the increase of the amount of TEOS added, the average size of ZnO nanoparticles was found decreased from ∼14.6 to ∼1.9 nm by characterization of X-ray diffraction (XRD) and high-resolution electron microscopy (HRTEM). The growth of ZnO nanoparticles is proposed to be controlled by the density of the SiO₂ chain mesh which is determined by TEOS amount in precursor. Ultraviolet–visible (UV–VIS) absorption and photoluminescence (PL) spectra show both shift to higher energy in cut-off edge and in visible emission bands respectively. The electron transition process in the mechanism of the visible emission shift was described and related to quantum size effect in ZnO nanoparticles.     

Derivation of invariant varieties of periodic points from singularity confinement in the case of Toda map

We have shown in [1] that the invariant varieties of periodic points (IVPP) of all periods of some higher dimensional rational maps can be derived, iteratively, from the singularity confinement (SC). We generalize this algorithm, in this paper, to apply to any birational map, which has more invariants than the half of the dimension.