固液相变的分子动力学研究Ⅰ─—(KI)_(108)离子簇的熔化和凝固(英)

通过分子动力学模拟，考查并分析了（KI）108离子簇的结构、能量和相变的动力学行为．在加热和冷却过程中，离子簇再现了熔化和凝固现象，而且熔化起始于立方体的其一顶点，熔化的离子簇不是球形的，说明了离子簇的非湿特征．根据结晶的成核速率，讨论了电子衍射实验中观察KI凝固的可能性     

双核银络合物[Ag_2(dppm)_2(Py)_2(μ-Cl)]ClO_4的合成与结构

二-(二苯基膦)甲烷(dppm)是一种易与金属形成多核络合物的有机膦配体。我们用dppm作为配体合成了一系列银的多核络合物,并对其结构进行了研究。本文报导了其中一个双核化合物[Ag_2(dppm)_2(Py)_2(μ-Cl)]ClO_4的合成及晶体结构、分子结构的测定。     

Hydrothermal synthesis and crystal structure of a layered vanadium oxide with an interlayer metal coordination complex: [Co(phen)3][V10O26]·H2O

A novel compound, [Co(phen)₃][V₁₀O₂₆]·H₂O, was hydrothermally synthesized and characterized by single-crystal X-ray diffraction. This compound crystallizes in the orthorhombic space group Ccca with a=13.447(3), b=29.936(6), c=23.252(5) Å, V=9360(3) Å³, Z=8 and R=0.0285. Data were collected on a Rigaku R-AXIS RAPID IP diffractometer at 293 K in the range of 1.36<θ<24.99°. The structure of the compound consists of vanadium oxide layers, which are built up from the infinite VO₄ chains by corners and edges sharing. The [Co(phen)₃]²⁺ complexes occupy the interlayer space and contact each other via π−π stacking interactions of the phen groups to form infinite one-dimensional chains.     

1，4-双(1′-苯基-3′-甲基-5′-氧代吡唑-4′-基)丁二酮-(1，4)合双铜(Ⅱ)配合物的合成、表征、非等温热分解反应动力学及电化学性质

The paper reported the synthetic procedure and character of Copper(Ⅱ) binuclear coordination compound of 1,4-bis-(1′-phenyl-3′-methyl-5′-pyrazolone-4′)-1,4-butanedione. The non-isothermal kinetic of the thermal decomposition of the complex has been studied from the TG-DTG curves by means of the Achar et al and Coats-Redfern methods. The electrochemical characterization of the complex were studied by means of powder microelectrodes technique.     

On a Damped Vibration Problem Involving p-Laplacian Operator: Fast Homoclinic Orbits

In this paper, we deal with the nonlinear second-order differential equation with damped vibration term involving p-Laplacian operator. Of particular interest is the resolution of an open problem. An interesting outcome from our result is that we can obtain the fast homoclinic solution with general superlinear growth assumption in suitable Sobolev space. To our knowledge, our theorems appear to be the first such result about damped vibration problem with p-Laplacian operator.     

Elastic Analysis of Anisotropic Functionally Graded Rotating Disks With Non-Uniform Thicknesses北大核心CSCD

研究了任意梯度变化的变厚度各向异性转动圆盘的弹性问题.假设圆盘绕刚性轴匀速转动,其材料性能和厚度沿径向任意梯度变化.考虑圆盘在中心转轴处受位移约束,外侧自由,根据各向异性转动圆盘的平衡微分方程,得到关于径向应力的Fredholm积分方程,继而通过对Fredholm积分方程进行数值求解,得到结构的位移场和应力场.对具体梯度变化情况仅需代入相应梯度变化进行求解即可.数值算例部分,通过假设厚度、弹性模量等参数为特殊的幂函数形式,将由Fredholm积分方程求出的数值解与对应的精确解进行对比,以及针对常见的Voigt模型,将由该方法算得的数值解和ANSYS有限元计算结果进行对比,验证了该方法的准确性和精度.其次,针对Voigt模型,重点分析了厚度变化、材料性能梯度参数、各向异性度等对应力场和位移场的影响.提出了针对材料性能和厚度沿径向呈任意梯度变化的圆盘结构弹性分析方法,将为优化功能梯度圆盘的结构和材料参数、有效调整构件应力分布、提高结构安全性,提供强有力的工具;算例分析结果对功能梯度圆盘在复杂条件下的结构安全设计有重要的理论指导意义.     

On the Sixth Power Mean of the Two-term Exponential Sums

Acta Mathematica Sinica, English Series - The main purpose of this article is to study the calculating problem of the sixth power mean of the two-term exponential sums, and give an interesting...     

Invariability of Trivial Extensions of Tilted Algebras Under Stable Equivalences

As a sequel to [8], we investigate here the behaviour of thetrivial extensions of tilted algebras under stable equivalence.It will be shown that if a finite-dimensional symmetric algebra is stably equivalent to the trivial extension of a tilted algebraB, then is the trivial extension of some tilted algebra A whichhas the same type as B.     

Luikov equations applicable to sublimation-drying

Present paper presents a derivation of Luikov equations applicable to sublimation-drying. The physical situation and transfer mechanism are elucidated clearly. The coefficients appearing in Luikov equations are given in a more explicit way. Some formulation mistakes in recent publications are indicated.

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Anwendung der Luikov-Gleichungen auf die Sublimationstrocknung

Zusammenfassung Die Untersuchung bezieht sich auf eine Ableitung der Luikov-Gleichungen, mittels deren sich der Vorgang der Sublimationstrocknung analysieren läßt. Physikalische Anfangssituation und Austauschmechanismen werden klar herausgestellt und die in den Luikov-Gleichungen auftretenden Koeffizienten in expliziter Weise angegeben. Ferner erfolgt Hinweis auf Formulierungsfehler in jüngeren Veröffentlichungen.

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Nomenclature C M _v/V _f, concentration of vapor, kg/m³ - c _pv specific heat of vapor at constant pressure, J/kg K - c _pw specific heat of adsorbed water at constant pressure, J/kg K - c _s specific heat of solid skeleton, J/kg K - C _s M _s/V _f, concentration of solid skeleton, kg/m³ - C _w M _w/V _f, concentration of adsorbed water, kg/m³ - f V _w/V _f, volumetric fraction of adsorbed water - j _F mass flux of vapor by diffusion (Fick) transfer, kg/m² s - j _D mass flux of vapor by filtration (Darcy) transfer, kg/m² s - j _v total mass flux of vapor, kg/m² s - k permeability, m² - M _s mass of solid skeleton, kg - M _v mass of vapor in pores, kg - M _w mass of adsorbed water, kg - P pressure, Pa - q heat flux, W/m² - R gas constant, J/kg K - T temperature, K - V _f volume of the framework of porous medium, m³ - V _v volume of vapor in porous medium, m³ - V _w volume of the absorbed water, m³ Greek symbols /(c _p), effective thermal diffusivity, m²/s - _m effective vapor diffusivity in porous medium, m²/s - _p R T /, Luikov pressure diffusivity, m²/s - +f, porosity of the porous medium - effective thermal conductivity of porous body, W/m K - dynamic viscosity of vapor, kg/m s - kinematic viscosity, m²/s - Ck/=k/, Luikov filtration motion coefficient, s - V _v/V _f, volumetric fraction of vapor - density of absorbed water, kg/m³ - (c _p) M _v c _pv+M _s c _s+M _w c _pw /V _f=Cc _pv+C _s c _s+fc _pw, effective product of density and specific heat of humid porous body, J/m³K