Simultaneous Brownian motion of N particles in a temperature gradient

A system of N Brownian particles suspended in a nonuniform heat bath is treated as a thermodynamic system with internal degrees of freedom, in this case their velocities and coordinates. Applying the scheme of nonequilibrium thermodynamics, one then easily obtains the Fokker-Planck equation for simultaneous Brownian motion of N particles in a temperature gradient. This equation accounts for couplings in the motion as a result of hydrodynamic interactions between particles.     

A detonation stability formulation for arbitrary equations of state and multi-step reaction mechanisms

A general normal-mode linear stability formulation of steady planar detonation waves is presented that is valid both for an arbitrary equation of state and for multi-step, multi-species chemical kinetics. The general formulation can be used for many purposes, including an examination of gaseous detonation stability with complex reaction kinetics in which the individual reacting species have variable thermochemical properties. In the present paper, we consider two cases that could not be obtained by previous one-step chemistry, polytropic gas formulations: the first concerns the effect of a difference in heat capacities between product and fuel species, as well as a possible mole change, in a single-step irreversible reaction. The second examines the effects of exothermic or endothermic heat release/absorption in the chain-initiation stage of a model three-step reaction.     

二维三温热传导方程组的分数步隐式差分格式

本文给出一个解二维三温热传导方程组的分数步隐式有限差分格式，利用离散变分形式及能量方法，给出差分格式的最优阶离散H^1范数先验误差及稳定性估计。     

A numerical method for the calculation of incompressible,steady, separated flows around aerofoils

The present work deals with the numerical calculation of the incompressible turbulent flow around aerofoils. An orthogonal curvilinear grid of ‘C’ type is used for the solution of the time averaged equations and Reynolds stresses are modelled according to the κ-ε turbulence model. PISO and SIMPLE algorithms are used to solve the strongly coupled system of the derived finite volume equations and convergence is improved by applying the method of variable local underrelaxation factors. Comparisons between the calculated and measured pressure distributions are presented for NACA 0012 and NACA 4412 wing sections. The formation of separation bubbles according to calculations is also shown.     

Trajectory attractor for a class of three-dimensional incompressible non-Newtonian fluids北大核心CSCD

This paper studies the trajectory asymptotic behavior of solutions for equations of a class of three-dimensional autonomous and incompressible non-Newtonian fluids. The authors prove the existence of the trajectory attractor for this class of equations in an appropriate topological space. ©, 2015, Chinese Academy of Sciences. All right reserved.     

Modeling phase equilibria for acid gas mixtures using the CPA equation of state. Part II: Binary mixtures with CO2

In Part I of this series of articles, the study of H₂S mixtures has been presented with CPA. In this study the phase behavior of CO₂ containing mixtures is modeled. Binary mixtures with water, alcohols, glycols and hydrocarbons are investigated. Both phase equilibria (vapor-liquid and liquid-liquid) and densities are considered for the mixtures involved. Different approaches for modeling pure CO₂ and mixtures are compared. CO₂ is modeled as non self-associating fluid, or as self-associating component having two, three and four association sites. Moreover, when mixtures of CO₂ with polar compounds (water, alcohols and glycols) are considered, the importance of cross-association is investigated. The cross-association is accounted for either via combining rules or using a cross-solvation energy obtained from experimental spectroscopic or calorimetric data or from ab initio calculations. In both cases two adjustable parameters are used when solvation is explicitly accounted for. The performance of CPA using the various modeling approaches for CO₂ and its interactions is presented and discussed, comparatively to various recent published investigations. It is shown that overall very good correlation is obtained for binary mixtures of CO₂ and water or alcohols when the solvation between CO₂ and the polar compound is explicitly accounted for, whereas the model is less satisfactory when CO₂ is treated as self-associating compound.     

Phase transitions and equations of state at multimegabar pressures

Abstract

Review of phase transitions and equations of state at multimegabar pressures (100–300 GPa) is presented. Energy dispersive x-ray diffraction techniques in conjunction with synchrotron radiation sources are used. Besides several transition metals, Pt to 282 GPa, Re to 251 GPa, W to 209 GPa, and Fe to 255 GPa, the special focus is on Group IVA elements and isoelectronic III-V compounds. At high pressure, the isoelectronic materials are isostructural and exhibit similar equation of state.     

Zr4Al2高压下热动力学性质的第一性原理研究

本文主要通过平面波赝势密度泛函理论的第一性原理计算方法,采用了广义梯度近似（GGA）交换相关函数,研究了六角结构的Zr4Al2的EOS态方程和热动力学性质。通过采用了声子效应的准谐近似德拜模型,我们成功得到了晶胞体积V随温度以及V/V0、德拜温度Θ、热熔CV 随压强P的变化关系。另外,我们还研究了热膨胀系数α及格林参数γ随温度和压强的变化关系,计算结果表明格林参数和热膨胀系数随温度的升高而增加,但是在较高的温度下,热膨胀系数几乎不受温度的影响。     

粘性流动的局部隐式有限元解法

粘性流动的局部隐式有限元解法依凤鸣，吴遇春（哈尔滨工业大学动力系哈尔滨１５Ｏ００１）关键词粘性流动，局部隐式有限元法，Ｎ．Ｓ．方程１引言有限元法具有对复杂几何边界适应性强，对流场内变量梯度大的区域计算精度高以及易于编制大型通用程序等特点，已经成了叶轮...