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A monodendron that over a broad temperature range self-assembles in quasi-spherical supramolecular aggregates organized on a thermotropic cubic Pm3n lattice was examined by TEM. Grain boundaries were found parallel to the (1 0 0) and (3 2 0) planes. In well annealed specimens, in which grain boundaries are rare, two types of stacking fault were numerous, suggesting their relatively low energy. In the original Pm 3n lattice and in the two stacking fault arrangements, the supramolecular aggregates are distorted to an oblate shape, which is likely to be favoured by a crowded microscopic interface between core and tail moieties. Symmetry and phase selection for the ordered arrangement of amphiphilic molecules is discussed. 相似文献
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Hee-Man Yang Chan Woo Park Kune Woo Lee Byung-Sik Lee Ilgook Kim In-Ho Yoon 《Journal of Radioanalytical and Nuclear Chemistry》2018,316(3):955-962
A polyvinyl alcohol (PVA)-borate hydrogel-based strippable surface decontaminant containing an ammonium salt and Prussian blue (PB) was developed for the removal of 137Cs from various surfaces. This surface decontaminant can be easily prepared by the simple mixing of commercially available materials, such as PVA, borax, NH4Cl and PB, in water, and the decontaminant can be peeled off surfaces due to its high elastic property after surface decontamination. The hydrogel displayed an effective removal performance for Cs from painted cement, aluminum, stainless steel, and cement surfaces and a potential for reusability. Therefore, the PB/PVA-borate hydrogel has good potential as a new surface decontaminant. 相似文献
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We present a dynamic pathway model for the formation of C(60) using the action-derived molecular dynamics simulations. We propose candidate precursors for dynamic pathway models in which carbons spontaneously aggregate due to favorable energetics and kinetics. Various planar polycyclic models are in a disadvantageous state where they cannot be trapped in the forward reaction due to their high excess internal energies. Our simulation results show that precursors either in the shape of tangled polycyclics or in the shape of open cages are kinetically favored over precursors in the shape of planar hexagonal graphite fragments. Calculated activation energies for the probable precursor models are in good agreement with experiment. Existence of chains in the models of tangled polycyclics and open cages is beneficially for the formation of C(60) molecule. Chains attached to the precursor model are energetically favorable and display lithe movements along the dynamic pathway. 相似文献
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Models for the prediction of the solid/liquid interfacial energy in pure substances and binary alloys, respectively, are reviewed and extended regarding the temperature and concentration dependence of the required thermodynamic entities. A CALPHAD-type thermodynamic database is used to introduce temperature and concentration dependent melting enthalpies and entropies for multicomponent alloys in the temperature range between liquidus and solidus. Several suitable models are extended and employed to calculate the temperature and concentration dependent interfacial energy for Al–FCC with their respective liquids and compared with experimental data. 相似文献
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金孙均 王友宝 苏俊 颜胜权 李云居 郭冰 李志宏 曾晟 连钢 白希祥 柳卫平 山口英齐 久保野茂 胡钧 D.Kahl 郑孝顺 文俊永 寺西高 王宏伟 石山博信 岩佐直人 小松原哲郎 李二涛 张健 《原子核物理评论》2015,32(3):274-279
在日本东京大学CRIB 次级束装置上,用长气体靶开展了22Na+ α共振散射的厚靶实验研究。针对长气体靶实验中的两体运动学重构问题,提出了一套包括构建空间复杂几何关系、计算能量损失以及反应运动学的逐事件分析方法;对22Na+α共振散射的实验数据进行了重构分析,得到了Ec.m. = 4.2 ~ 5.4 MeV 区间22Na( α,α ) 的激发函数,从实验的激发函数中观测到了复合核26Al 5 个较为明显的共振峰。鉴于26Al 共振态的衰变模式比较复杂,本工作发现的26Al新共振态的能级性质有待进一步的理论分析。The 22Na+α resonant scattering is studied via a conventional thick target inverse kinematic method with an extended gas target. A data analysis method is proposed for the two-body reaction kinematic reconstruction, in which the spatial geometry, the reaction kinematics and the energy losses are considered. The experimental data of 22Na+ αresonant scattering have been thus reconstructed, and the excitation function is obtained in the energy interval of Ec.m. =4.2~5.4 MeV. Five resonant states in 26Al are observed in the experimental excitation function. Since several decay modes coexist for the observed 26Al resonant states, multi-channel theoretical analysis is thus needed to reveal their structure and decay features. 相似文献
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In-Ho Jung 《Journal of Physics and Chemistry of Solids》2004,65(10):1683-1695
A complete literature review, critical evaluation and thermodynamic modeling of the phase diagrams and thermodynamic properties at 1 bar total pressure of all oxide phases in the Fe-Mg-O system are presented. Optimized model equations for the thermodynamic properties of all phases are obtained which reproduce all available thermodynamic and phase equilibrium data within experimental error limits from 25 °C to above the liquidus temperatures at all compositions and oxygen partial pressures. The complex phase relationships in the system have been elucidated and discrepancies among the data have been resolved. The database of the model parameters can be used along with software for Gibbs energy minimization in order to calculate any type of phase diagram section. Sublattice models, based upon the compound energy formalism, were used for the spinel, pyroxene, olivine and monoxide phases. The use of physically reasonable models means that the models can be used to predict properties, phase equilibria, and cation site distributions in composition and temperature regions where data are not available. 相似文献
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Fullerene coalescence experimentally found in fullerene-embedded single-wall nanotubes under electron-beam irradiation or heat treatment is simulated by minimizing the classical action for many atom systems. The dynamical trajectory for forming a (5,5) C120 nanocapsule from two C60 fullerene molecules consists of thermal motions around potential basins and ten successive Stone-Wales-type bond rotations after the initial cage-opening process for which energy cost is about 8 eV. Dynamical paths for forming large-diameter nanocapsules with (10,0), (6,6), and (12,0) chiral indexes have more bond rotations than 25 with the transition barriers in a range of 10-12 eV. 相似文献