Nonequilibrium entropy and the second law of thermodynamics: A simple illustration

The objective of this paper is twofold: first, to examine how the concepts of extended irreversible thermodynamics are related to the notion of accompanying equilibrium state introduced by Kestin; second, to compare the behavior of both the classical local equilibrium entropy and that used in extended irreversible thermodynamics. Whereas the former does not show a monotonie increase, the latter exhibits a steady increase during the heat transfer process; therefore it is more suitable than the former one to cope with the approach to equilibrium in the presence of thermal waves.Paper dedicated to Professor Joseph Kestin.     

热力学第二定律对地球灾害和能源危机的启示

文章论述了热力学第二定律揭示的自发热过程的方向性。通过阐述热湿因素在自然灾害形成过程中的作用，提出人类应该优先开发对人类有威胁的地球潜能，从而同时解决地球灾害和能源危机的观点。     

Measurement of Gibbs energies of formation of CoF2 and MnF2 using a new composite dispersed solid electrolyte

Gibbs energies of formation of CoF₂ and MnF₂ have been measured in the temperature range from 700 to 1100 K using Al₂O₃-dispersed CaF₂ solid electrolyte and Ni+NiF₂ as the reference electrode. The dispersed solid electrolyte has higher conductivity than pure CaF₂ thus permitting accurate measurements at lower temperatures. However, to prevent reaction between Al₂O₃ in the solid electrolyte and NiF₂ (or CoF₂) at the electrode, the dispersed solid electrolyte was coated with pure CaF₂, thus creating a composite structure. The free energies of formation of CoF₂ and MnF₂ are (± 1700) J mol⁻¹; {fx37-1} The third law analysis gives the enthalpy of formation of solid CoF₂ as ΔH° (298·15 K) = −672·69 (± 0·1) kJ mol⁻¹, which compares with a value of −671·5 (± 4) kJ mol⁻¹ given in Janaf tables. For solid MnF₂, ΔH°(298·15 K) = − 854·97 (± 0·13) kJ mol⁻¹, which is significantly different from a value of −803·3 kJ mol⁻¹ given in the compilation by Barinet al.     

分形方法导出改进的牛顿第二定律及万有引力定律

牛顿第二定律及万有引力定律是根据实验结果总结出来的。为了探讨从理论上导出这两个定律的可能性，根据能量守恒定律，给出用变维分形方法针对一个实例（小球沿长斜面滚下）导出改进的牛顿第二定律及万有引力定律的方法。具体给出了适用于实例的常维分形结果：改进的万有引力定律F=-GMm / r199989和改进的牛顿第二定律F=ma101458。     

The Calculation of Phase Equilibrium Between Structural Phases with a Magnetic Transition by the Cluster Variation Method

The phase equilibrium between structural phases with a magnetic transition is investigated using the CV-pair approximation of the cluster variation method (CVM). By the geometric analysis of the grand potential, it is demonstrated that the grand potential and effective chemical potential of the different structural phases with a magnetic transition can be separated into paramagnetic and magnetic terms. In addition, the molar grand potential-effective chemical potential curve can be obtained from the relevant molar energy diagram. A calculation method for the phase equilibrium between structural phases with a magnetic transition is proposed; this method is applied to the / phase equilibrium in the Fe–Mn binary system, and the calculated phase diagram closely approximates the experimental diagram.     

Viscous behaviour of glass-forming liquids: a thermodynamic approach

The temperature dependence of the viscosity of the undercooled melts exhibits an important role in the study of nucleation, crystal growth and the glass-forming ability of materials. Several attempts have been made to study the viscous behaviour of the glass-forming melts and these investigations are mainly based on free volume theory as well as on the configurational entropy model. In the present investigation, an attempt has been made to correlate the thermodynamic parameters with the viscosity of the glass-forming melts and to study the temperature dependence of the viscosity of undercooled liquids on the basis of the free volume theory as well as on the basis of the configurational entropy model of Adam and Gibbs. The entire study is confined on the expression for thermodynamic parameters reported by the authors recently. The expression obtained has been successfully applied to study the temperature dependence of the viscosity of the metallic, molecular and oxide glass-forming liquids.     

Transmission and dose�Cresponse experiments for social animals: a reappraisal of the colonization biology of Campylobacter jejuni in chickens

Dose–response experiments characterize the relationship between infectious agents and their hosts. These experiments are routinely used to estimate the minimum effective infectious dose for an infectious agent, which is most commonly characterized by the dose at which 50 per cent of challenged hosts become infected—the ID₅₀. In turn, the ID₅₀ is often used to compare between different agents and quantify the effect of treatment regimes. The statistical analysis of dose–response data typically makes the assumption that hosts within a given dose group are independent. For social animals, in particular avian species, hosts are routinely housed together in groups during experimental studies. For experiments with non-infectious agents, this poses no practical or theoretical problems. However, transmission of infectious agents between co-housed animals will modify the observed dose–response relationship with implications for the estimation of the ID₅₀ and the comparison between different agents and treatments. We derive a simple correction to the likelihood for standard dose–response models that allows us to estimate dose–response and transmission parameters simultaneously. We use this model to show that: transmission between co-housed animals reduces the apparent value of the ID₅₀ and increases the variability between replicates leading to a distinctive all-or-nothing response; in terms of the total number of animals used, individual housing is always the most efficient experimental design for ascertaining dose–response relationships; estimates of transmission from previously published experimental data for Campylobacter spp. in chickens suggest that considerable transmission occurred, greatly increasing the uncertainty in the estimates of dose–response parameters reported in the literature. Furthermore, we demonstrate that accounting for transmission in the analysis of dose–response data for Campylobacter spp. challenges our current understanding of the differing response of chickens with respect to host-age and in vivo passage of bacteria. Our findings suggest that the age-dependence of transmissibility between hosts—rather than their susceptibility to colonization—is the mechanism behind the ‘lag-phase’ reported in commercial flocks, which are typically found to be Campylobacter free for the first 14–21 days of life.     

Constancy of the Surface Energy during the Melting of a Nanocrystal

The relation for the surface free energy @sgr; as a function of size and shape of a nanocrystal is derived. The nanocrystal has the form of a parallelepiped with a square base. The ratio of the lateral edge length to the base edge length f defines the shape of a system. It is shown that the value of @sgr; decreases with degreasing number of atoms N in a nanocrystal. The higher the deviation of the form parameter f from unity, the stronger the dependence @sgr;(N). It is found that the surface free energy decreases with the temperature T; in so doing, the quantity (d/T) is the greater, the smaller the size of the nanocrystal or the greater the deviation of the nanocrystal shape from the most thermodynamically stable, cubic, shape. It is shown that the nanocrystal melts when its surface energy decreases to a certain value independent of size and shape. The conditions are discussed under which the crystal fragmentation and dendritic growth are realized.     

TRIZ中技术进化定律、进化路线及应用

对发明问题解决理论（TRIZ）中的技术进化定律系统进行了分类及简单介绍，以实例说明进行路线是从结构进化的特点出发描述产品核心技术所处的状态序列，提出了基于TRIZ的问题求解搜索过程。用一工程实例说明了进化定律及进化路线的应用。     

Choice of a Method of Solving the Problem of Identifying the Distribution Laws of the Random Errors of Measuring Instruments

A choice is made of a method for solving the problem of identifying the distribution laws of the random errors of measuring instruments in terms of the results of an analysis of the characteristics of three methods of utilizing experimental data to determine an analytical model for a distribution law. The defects of the chosen method are considered and particular problems are formulated for eliminating them.     

A fundamental equation of state for 1,1-difluoroethane (HFC-152a)

A fundamental equation ofstale for HFC-152a ( 1,1-dilluorocthane) is presented covering temperatures between the triple-point temperature ( 154.56 K) and 435 K for pressures up to 311 M Pa. The equation is based on reliable (p, g, T) data in the range mentioned above. These are generally represented within ±0.1 % of density. Furthermore. experimental values of the vapor pressure, the saturated liquid density, and some isobaric heat capacities in the liquid were included during the correlation process. The new equation of state is compared with experimental data and also with the equation of state developed by Tamatsu et al. Differences between the two equations of state generally result from using different experimental input data. It is shown that the new equation of state allows an accurate calculation of various thermodynamic properties for most technical applications.Paper presented at the Twelfth Symposium on Thermophysical Properties, June 19–24, 1994, Boulder. Colorado. U.S.A.     

计算机模拟对嵌段共聚物胶束结构的优化设计

胶束对疏水性药物的增溶作用与药物和载体材料的相容性密切相关,本文通过热力学方法判断二者的相容性。以布洛芬作为模型药物,采用Materials Studio模拟软件计算一系列疏水链段与布洛芬的混合能Emix及混合自由能ΔGmix,筛选适合布洛芬的胶束疏水链段。结果显示布洛芬与聚丙烯、聚氧丙烯等疏水链段的混合自由能为正值,与聚乳酸/乙醇酸的的混合自由能为负值,根据混合自由能原理,文中所选的嵌段共聚物胶束的疏水链段中,聚乳酸/乙醇酸与布洛芬的相容性最好。     

System Cu-Rh-O: Phase diagram and thermodynamic properties of ternary oxides CuRhO2 and CuRh2O4

An isothermal section of the phase diagram for the system Cu-Rh-O at 1273 K has been established by equilibration of samples representing eighteen different compositions, and phase identification after quenching by optical and scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy dispersive analysis of X-rays (EDX). In addition to the binary oxides Cu₂O, CuO, and Rh₂O₃, two ternary oxides CuRhO₂ and CuRh₂O₄ were identified. Both the ternary oxides were in equilibrium with metallic Rh. There was no evidence of the oxide Cu₂Rh₂O₅ reported in the literature. Solid alloys were found to be in equilibrium with Cu₂O. Based on the phase relations, two solid-state cells were designed to measure the Gibbs energies of formation of the two ternary oxides. Yttria-stabilized zirconia was used as the solid electrolyte, and an equimolar mixture of Rh+Rh₂O₃ as the reference electrode. The reference electrode was selected to generate a small electromotive force (emf), and thus minimize polarization of the three-phase electrode. When the driving force for oxygen transport through the solid electrolyte is small, electrochemical flux of oxygen from the high oxygen potential electrode to the low potential electrode is negligible. The measurements were conducted in the temperature range from 900 to 1300 K. The thermodynamic data can be represented by the following equations: {fx741-1} where Δ_f(ox) G ^o is the standard Gibbs energy of formation of the interoxide compounds from their component binary oxides. Based on the thermodynamic information, chemical potential diagrams for the system Cu-Rh-O were developed.     

Metallurgical aspects on the fatigue of solution-annealed austenitic high interstitial steels

Austenitic stainless steels have been used for over 100 years for their combination of strength and ductility. In order to further improve the mechanical and chemical properties of austenitic high nitrogen steels (AHNS) were developed. Ni reduces the solubility of N and, therefore, was substituted by Mn in order to allow for up to 1 weight-% N to be alloyed. AHNS show an even higher strength for the solution annealed state, which can be increased further by cold working. Unfortunately the endurance limit did not follow this trend as it is known to for cold-worked Ni-containing steels. The solution annealed Ni-containing austenites allow for wavy slip and the generation of dislocation cells while the Mn-alloyed AHNS only show planar slip with twins and stacking faults. While the stacking fault energy was thought to be the main reason for planar slip, early results showed that there must be other near-field effects. The density of free electrons, which is mainly influenced by the sum and the ratio of C and N, might be responsible. Strain-controlled fatigue tests were carried out in CrMn-alloyed austenitic steels with different sums (C + N: 0.65–1.2) and ratios (C/N: 0.13–∞) of C and N. Manson–Coffin analyses revealed distinct differences in the fatigue behaviour to CrNi-alloyed C + N steels investigated earlier. This contribution presents these differences and discusses them in relation to microstructural characteristics as well their alterations under cyclic loading.     

On the solution of a minimum compliance topology optimisation problem by optimality criteria without a priori volume constraint specification

The paper presents a topology optimisation method based on optimality criteria for total potential energy maximisation with a volume constraint. The final volume of the optimal structural configuration has not to be specified a priori and is directly controlled by the stress, displacement or stiffness constraints defined at the design problem layout phase. The proposed method leads to the identification of well defined structures characterised by a small number of discrete elements with intermediate material properties within a limited number of iterations. The results obtained by solving several two dimensional benchmark problems are shown.     

Thermodynamic functions for the formation of isomeric CF3 adducts of C70 and C84

Gas-phase formation enthalpies and Gibbs energies of formation (Δ_fH°_m; Δ_fG°_m) of trifluoromethylderivatives of fullerenes C₇₀ and C₈₄ are calculated at the DFT (density functional theory) level of theory. The approach employs homodesmic (HD) transtrifluoromethylation reactions and experimental thermochemical data on C₆₀, C₇₀, C₈₄ and S₆-C₆₀(CF₃)₁₂.     

Obliging Institutions and Industry Evolution: A Comparative Study of the German and UK Wind Energy Industries

This paper firstly examines the relationship between state coordination and wind energy growth by comparing the differences between UK and German institutional configurations and state involvements in the 1990s. While the EU was calling for a unified regulatory framework for its member states, the UK and Germany adopted very different renewable energy policies. The evidence of the early 1990s shows that the British government employed “deregulation” with so limited state involvement that wind energy project developers faced thorny development problems, while the German government tried to require the electricity supply industry to purchase expensive wind power by “regulation” but encountered formidable resistance. Nevertheless, both the British and German administrations later could resolve these problems through new forms of state power. This suggests that, firstly, neither “deregulation” nor “regulation” is an effective means to develop wind power with increasing electricity liberalization and regionalization. Secondly, “obliging” regulations and state powers are vital to the policy outcome by harnessing the state's institutional capacity to smooth out technology innovation and diffusion.     

On a method for the establishment of relations between the critical values of the characteristics of steady-state material separation process

We study the process of symmetrical separation (fracture) of material, when the movement of an external load results in the formation of new surfaces in the given direction. In the vicinity of the separation plane, a layer is singled-out, whose free energy accumulates into surface energy. Under the condition of the process being stationary, a relation between J-integral-type expression and the thermomechanical characteristics of the material has been established. The results obtained are compared with known ones. __________ Translated from Problemy Prochnosti, No. 2, pp. 47–58, March–April, 2006.     

某工厂乙醇蒸馏设备的热回收系统应用的节能特性分析

传统的乙醇生产工艺存在设备投资大、能耗高等问题,因而发展受到制约。减少燃料消耗,提高能源的利用率,促进经济社会可持续发展。文中提出利用第二类溴化锂吸收式热泵先进的节能技术与工厂乙醇工艺需要相结合,回收利用中温热源,制取生产需求的高温热源,从而达到节能减排的要求。     

平板断面颤振过程中的能量输入特性研究

通过风洞试验研究了流线型较好的平板断面的颤振性能,基于流固松耦合的计算策略,应用CFD数值方法, 模拟了平板的颤振过程,并用相位平均的方法研究了颤振临界状态下模型尾部旋涡的演化规律, 分析表明模型尾部风嘴处呈直线排列的涡街的规律性摆动主导了结构振动直到模型振动发散。利用分块分析的思路研究颤振过程中气流能量在模型表面不同区域的输入特性,以及模型尾部旋涡的演化过程对模型表面气动力分布和能量输入特性的影响。分块分析的结果表明振动的模型通过迎风端风嘴从气流中吸收大量的能量, 且在一个完整的振动周期内气流输入到振动系统的能量不断增加,造成平板的颤振多为结构稳定性的突然丧失。