Structural and Thermodynamic Peculiarities of Core-Shell Particles at Fluid Interfaces from Triangular Lattice Models

A triangular lattice model for pattern formation by core-shell particles at fluid interfaces is introduced and studied for the particle to core diameter ratio equal to 3. Repulsion for overlapping shells and attraction at larger distances due to capillary forces are assumed. Ground states and thermodynamic properties are determined analytically and by Monte Carlo simulations for soft outer- and stiffer inner shells, with different decay rates of the interparticle repulsion. We find that thermodynamic properties are qualitatively the same for slow and for fast decay of the repulsive potential, but the ordered phases are stable for temperature ranges, depending strongly on the shape of the repulsive potential. More importantly, there are two types of patterns formed for fixed chemical potential—one for a slow and another one for a fast decay of the repulsion at small distances. In the first case, two different patterns—for example clusters or stripes—occur with the same probability for some range of the chemical potential. For a fixed concentration, an interface is formed between two ordered phases with the closest concentration, and the surface tension takes the same value for all stable interfaces. In the case of degeneracy, a stable interface cannot be formed for one out of four combinations of the coexisting phases, because of a larger surface tension. Our results show that by tuning the architecture of a thick polymeric shell, many different patterns can be obtained for a sufficiently low temperature.     

基态非简并导电聚合物——坐标空间研究

通过引入简并破缺项,建立了非等势垒Kronig-Penney方势阱模型,在实坐标空间中研究了基态非简并聚合物——顺式聚乙炔的基态及其激发态,并与紧束缚模型所得到的结果进行了比较.给出了体系的电子态、电荷密度等在实坐标空间的分布特征.发现在坐标空间研究可以更加准确地反映体系的电子态密度、电子空间密度分布等特征. 关键词： 聚合物 方势阱 基态 极化子     

Lower Bound for the Interatomic Distance in Lennard-Jones Clusters

We prove in this article lower bounds and upper bounds for the interatomic distance in cluster of atoms minimizing the Lennard-Jones energy. Our main result is in dimension three, but we also prove it in the two-dimensional case, since it seems interesting from a theoretical point of view.     

磁场中液氦薄膜表面电子涟波子系统的性质

研究了磁场中液氦薄膜表面电子与涟波子强耦合和弱耦合的性质。采用线性组合算符方法导出磁场中液氦薄膜表面电子 涟波子系统的振动频率和基态能量。讨论磁场对表面电子 涟波子系统的振动频率和基态能量的影响。     

地源热泵的运行特性模拟研究

依据圆柱源理论,建立起了耦合地面热泵机组和地下埋管换热器特性的模拟模型,该模型可用于长期运行的地源热泵系统的短时间步长运行特性模拟。探讨了模拟过程中有关参数的确定方法,并运用所建模型对地源热泵的冬季和夏季运行特性进行了模拟。运行特性模拟与实验数据的验证结果表明,所建模型可以对地源热泵的运行特性做出符合实际的预测。     

外电场作用下FO分子的特性研究

采用密度泛函的B3P86方法,以6-311+G(3df)为基函数优化得到不同外电场下FO基态分子的稳定几何结构、键长、总能量、HOMO能级、LUMO能级、费米能级、能隙、红外光谱和谐振频率.结果表明,分子结构与外电场有着强烈的依赖关系,且对电场方向的依赖呈现出不对称性;随着正向电场的增大,HOMO能级、LUMO能级和费米能级是减小的,能隙是先增大后减小;红外光谱和谐振频率是增大的,而频率间隔是不断减小的.     

Density functional theory study on Ni-doped MgnNi (n=1-7) clusters

The possible geometrical and the electronic structures of small MgnNi(n = 1-7) clusters are optimised by the density functional theory with a LANL2DZ basis set.The binding energy,the energy gap,the electron affinity,the dissociation energy and the second difference in energy are calculated and discussed.The properties of Mg n Ni clusters are also discussed when the number of Mg atom increases.     

Nuclear structure around ~(80)Zr

Recent years have witnessed intense activity concerning the study of nuclei with equal numbers of neutrons and protons (N = Z). Exotic properties have been exhibited in the N = Z nuclei, especially in those with atomic masses around 80. In the present paper, the projected shell model(PSM)together with a relativistic Hartree-Bogoliubov (RHB) theory is used to study the nuclear structure near the N = Z line in the mass A ≈ 80 region. For three Zr isotopes 80,82,84Zr, the projected potential energy surfaces and ground state bands are calculated. It is shown that shape coexistence occurs in all of these nuclei. Moreover, we find that the residual neutron-proton interaction strongly affects the ground state band of 80Zr; however, it slightly modifies those of 82Zr and 84Zr.     

旋翼尾流与地面干扰时地面涡现象的研究

用Ｎ－Ｓ方程对近地飞行时旋翼尾流与地面干扰时产生的地面涡现象进行了数值计算旋翼对流场的作用由分布在特定区域内的动量源项模拟结果表明，旋翼尾流撞到地面后的卷起和轴向流动的拉伸作用是形成地面涡的原因；地面边界层形成的二次分离涡向地面涡内输入（与尾流所携带的涡量）相反的涡量，而使地面涡保持平衡；地面涡的存在和运动使旋翼附近流场大大改变     

A modified saddle point method for predicting sound fields above a non-locally reacting porous medium

This paper examines an asymptotic analysis for predicting sound fields above a rigid-frame porous medium, the so-called non-locally reacting porous medium. Their solutions can be represented by a direct wave term, a reflected wave term and a diffraction wave term. Exact and analytical solutions are available for the direct wave and the reflected wave from a perfectly hard ground. In the contrary, the diffraction wave term can only be cast in an integral form that is amenable to approximate analysis. A modified saddle-point method is explored to evaluate the diffraction integral asymptotically. Three different types of non-locally reacting surfaces, which are an extended reaction, a hard-backed layer, and an impedance-backed layer, were considered. The sound fields above these porous surfaces have the same form but they are different by an augmented diffraction term in the solutions. The analytical formula for the total sound fields, which can be stated in a closed form, offer a physically interpretable solution comprising of a direct wave and ground reflected wave terms. This latter term can further be split into a specularly reflected plane wave and ground wave components. A series of numerical comparisons have been conducted to validate the asymptotic analyses presented in this study. It has been demonstrated that the overall sound fields can be predicted well by the formula for all incidence angles and for a wide range of non-locally reacting porous surfaces.