高温高压下稠密氢的离解与电离

应用自恰变分自由能模型描述了在化学平衡下,H2,H,H ,e构成地混合物在天体物理和高压实验中遇到情形下的各种相互作用及压力与温度效应引起地离解和电离现象.目前的模型预测了在压力电离区存在一热力学不稳定状态,当温度Tc=15.5 kK,压力Pc=58.3 GPa和密度ρc=0.3226 g/cm3时发生等离子体相变,此理论预测结果与各种模型计算结果进行了比较分析.     

Non-stoichiometry and properties of ternary semiconductor phases of variable composition based on IV-VI compounds

An overview and analysis of our experimental data on the crystal structure, mechanical, thermal, galvanomagnetic and thermoelectric properties vs composition of the ternary semiconductor phases based on IV-Te compounds in the IV-X-Te systems (IV-Ge, Sn, Pb; X-Cu, Ag, Cd, In, Ga, Bi, Sb, Mn, V) are given. The separate and joint effect of deviation from stoichiometry and cation substitution on the IV-X-Te phase properties is established using the method of ‘controlled atomic defects’. Some general regularities and new physical phenomena connected with simultaneous presence of intrinsic and impurity point defects are detected. The influence of the cation substitution on the intrinsic defect equilibrium is established. It is shown that critical phenomena of percolation nature are observed in the range of small impurity contents as well as small intrinsic defect concentrations. Principally new models of the energy band structure of IV-X-Te ternary phases, which take into consideration a high concentration of non-stoichiometric defects, are proposed. The role of long- and short-range ordering is discussed. The formation of complexes as a result of chemical interaction between impurity and host atoms is detected. The above-mentioned phenomena are common for ternary phases and should be taken into account when developing materials for different applications.     

非平衡相变的临界标度理论及普适性

综述了作者近年来在非平衡相变临界（ Ｎ Ｐ Ｃ） 标度理论及普适性研究的进展。主要包括一般 Ｎ Ｐ Ｃ 系统规格化模型,局域序参量的概率分布,广义势的临界渐近形式,空时有关函数及其临界奇异行为。论证了 Ｎ Ｐ Ｃ 系统的临界可标度性,导出了一组普适的 Ｎ Ｐ Ｃ 标度关系,由之计算出的４ 种 Ｎ Ｐ Ｃ 普适类的临界指数与目前已知的实验及理论结果吻合得非常好。此外,还讨论了非平衡相变临界标度理论的普适性,将平衡相变临界标度理论作为一种特殊极限情况含于同一理论体系中。     

非平衡相变的临界标度理论及普适性

综述了作者近年来在非平衡相变临界（ Ｎ Ｐ Ｃ） 标度理论及普适性研究的进展。主要包括一般 Ｎ Ｐ Ｃ 系统规格化模型,局域序参量的概率分布,广义势的临界渐近形式,空时有关函数及其临界奇异行为。论证了 Ｎ Ｐ Ｃ 系统的临界可标度性,导出了一组普适的 Ｎ Ｐ Ｃ 标度关系,由之计算出的４ 种 Ｎ Ｐ Ｃ 普适类的临界指数与目前已知的实验及理论结果吻合得非常好。此外,还讨论了非平衡相变临界标度理论的普适性,将平衡相变临界标度理论作为一种特殊极限情况含于同一理论体系中。     

The thermodynamic characteristics of multicomponent reaction mixtures in the sub- and supercritical states

The paper presents mathematical models and calculation methods for solving particular research problems related to the thermodynamic characteristics of multicomponent and multiphase mixtures. The special features of chemical and phase equilibria in such mixtures are considered in the ideal gas approximation and taking nonideality into account. The conditions of equilibrium phase stability are studied for multiphase systems. The results of calculations of characteristic phase diagrams and binodal and spinodal are given for model systems with a fixed chemical composition, and a new interpretation of the mathematical model for localizing the critical point of a multicomponent mixture with a given composition is presented. A new interpretation of the well-known classic homotopy method is suggested for solving complex nonlinear systems of equations. Some anomalies of phase portraits and critical curves that are necessary to take into account in selecting (planning) experimental conditions and calculating chemical processes and reaction parameters are considered separately. The possibility of calculating thermodynamic and thermophysical properties (entropy, enthalpy, heat capacity, heat effects of reactions, and adiabatic heating) is demonstrated for the example of particular multicomponent nonideal mixtures. The conclusion is drawn that cubic equations of state can be used for predicting the deviations of these properties from the ideal gas state and their anomalies in the vicinity of the critical points of mixtures.     

增强吸收型光双稳临界现象的平均场理论

阐明临界现象（包括两类临界点）与相变的平均场（Ｌａｎｄａｕ）理论同样可以适用于增强吸收型光学双稳性（ＩＡＯＢ）．分析了近期提出的ＩＡＯＢ模型^[９］的动力学特征，在此基础上引入了一种准热力学势。在临界点（第二类）附近，该种势不仅体现出双稳系统中相变的共性，而且也反映了ＩＡＯＢ的特殊性。 关键词：     

Critical phenomena and relativistic gravitational collapse

Recent calculations have shown the existence of critical phenomena in general relativity associated with the collapse of wavepackets of massless fields that are near, in parameter space, the onset of black hole formation (the critical point). Two physically distinct systems have been explored: collapse of spherically-symmetric massless scalar field and collapse of vacuum, axisymmetric gravitational waves. Nonlinear effects dominate near the critical point. Black-hole mass serves as an order parameter and has a power-law dependence on critical separation in the supercritical region of parameter space. Remarkably, the values of the critical exponent of the power law are nearly identical in the two systems. The nonlinearity induces the fields to oscillate. Each successive oscillation is an echo, obeying a spatial and temporal scaling relation.     

Turbulent flame visualization using direct numerical simulation

Combustion phenomena are of high scientific and technological interest, in particular for energy generation and transportation systems. Direct Numerical Simulations (DNS) have become an essential and well established research tool to investigate the structure of turbulent flames, since they do not rely on any approximate turbulence models. In this work two complementary DNS codes are employed to investigate different types of fuels and flame configurations. The code is π³ is a 3-dimensional DNS code using a low-Mach number approximation. Chemistry is described through a tabulation, using two coordinates to enter a database constructed for example with 29 species and 141 reactions for methane combustion. It is used here to investigate the growth of a turbulent premixed flame in a methane-air mixture (Case 1). The second code,Sider is an explicit three-dimensional DNS code solving the fully compressible reactive Navier-Stokes equations, where the chemical processes are computed using a complete reaction scheme, taking into account accurate diffusion properties. It is used here to compute a hydrogen/air turbulent diffusion flame (Case 2), considering 9 chemical species and 38 chemical reactions.     

Computer simulation of irreversible kinetic gelation: Crossover between random and kinetic growth,radical conservation,poisons, and chain-preferred reactions

A Monte-Carlo study is presented for irreversible kinetic gelation in binary polymers in three dimensions. Using a growth scheme where attempts are made to form bonds with the help of radicals with probabilityk/(1+k) and without the help of radicals with probability 1/(1+k), wherek=0,1,2, ..., , we have studied the crossover from one universality class of critical phenomena in kinetic gelation to another universality class of random percolation. In the radical assisted gelation, several features are incorporated to make the model more realistic, for example, the conservation of the number of radicals during the growth (more suited for living anionic polymerization), the introduction of poisons and chain-preferring reactions are considered. Conserving the radicals delays gelation as well as trapping. The trapping can also be delayed by increasing the functionality of the monomers. The effect of the poison is rather severe; even a small concentration of poison (c _p >2%) terminates the reaction well before the gel point in a mixture of binary and ternary monomers, and it seems to affect the critical phenomena in the sol-gel phase transitions. In our growth mechanism, where reactions prefer to growL length steps each in a random direction, the critical phenomena remain unaffected by the length scale, but the flexibility of varying the chain stepL allows us to study the changeover between the phase transition in different gel structures.     

Large Deviations in the Superstable Weakly Imperfect Bose-Gas

The Superstable Weakly Imperfect Bose-Gas (Sup-WIBG) was originally proposed to solve some inconsistencies of the Bogoliubov theory based on the WIBG. The grand-canonical thermodynamics of the Sup-WIBG has been recently studied in details but only out of the point of the (first order) phase transition. The present paper closes this gap. The key technical tools are the Large Deviations (LD) formalism and in particular the analysis of the Kac distribution function. It turns out that the condensate fraction discontinuity as a function of the chemical potential (that occurs at the phase transition point) disappears if one considers it as a function of the total particle density. We prove that at this point the equilibrium state of the Sup-WIBG is a mixture of two (low- and high-density) pure phases related to two critical particle densities. Non-zero Bose-Einstein condensate starts at the smaller critical density and continuously grows (for a constant chemical potential) until the second critical density. For higher particle densities, the Bose condensate fraction as well as the chemical potential both increase monotonously.     

光学多稳系统的相变及临界点分类

参照朗道相变理的基本精神,确定光学多稳性系统的相变与临床界现象,揭示了相变的多样性,以及多稳系统通向完全单稳状态态的不同路径。多稳性的级次愈高,相变的式样也就愈多。     

斯格明子相关的螺旋磁有序体系的临界行为

介绍了与斯格明子相关的螺旋磁有序体系的临界行为.首先阐述了连续相变中的临界现象、临界指数、标度律、普适性等概念;随后介绍了磁相变体系中几种临界指数的获得方法,包括直流磁性迭代法、磁熵变法;进而,分析了几类与斯格明子相关的螺旋磁有序体系的临界行为.MnSi是典型的斯格明子材料,临界指数显示其磁性行为符合三重临界行为.MnSi的临界行为揭示:外磁场可以抑制这一体系在零场下的一级相变,使其转变为二级相变,从而在螺旋磁有序、锥形磁有序、顺磁相的三相交汇点形成三重临界点.斯格明子体系FeGe和Cu_2OSeO_3的临界行为符合三维海森伯相互作用,表明它们的磁性行为主要是由近邻的各向同性的自旋耦合作用所决定;而Fe_(1-x)Co_xSi和新发现的斯格明子体系Fe_(1.5-x)Co_xRh_(0.5)MoN的临界行为显示Co掺杂可以有效地调制其中的磁性耦合.对螺旋磁有序体系的临界行为研究表明,尽管这些体系都表现出类似的斯格明子态,但是它们的磁性耦合机制却大不相同,并且其耦合机制可以受到外界手段的调制.最后,根据普适性原理和标度方程,阐述了一种构建磁场诱导相变体系在临界温度附近H-T相图的方法.     

Accurate Simulation Estimates of Phase Behavior in Ternary Mixtures with Prescribed Composition

This paper describes an isobaric semi-grand canonical ensemble Monte Carlo scheme for the accurate study of phase behavior in ternary fluid mixtures under the experimentally relevant conditions of prescribed pressure, temperature and overall composition. It is shown how to tune the relative chemical potentials of the individual components to target some requisite overall composition and how, in regions of phase coexistence, to extract accurate estimates for the compositions and phase fractions of individual coexisting phases. These estimates have finite-size errors that are exponentially small in the system size even when the phase fraction of one phase is vanishingly small, as occurs at the coexistence boundary. The method is illustrated by tracking a path through the composition space of a model ternary Lennard-Jones mixture.     

Liquid flame: combustion of metal suspensions in liquid sulfur

Thermodynamic calculations show that some metals can react with sulfur without the formation of gaseous products at normal pressure and yet demonstrate sufficiently high flame temperatures to support the propagation of stable flames. For example, a stoichiometric ternary mixture of iron, manganese, and sulfur demonstrates gasless combustion at an equimolar concentration of iron and of manganese with an adiabatic flame temperature of about 2000 °C. Differential thermal analysis of the mixture shows no exothermic reactions below 280 °C. Therefore, sulfur in the mixture can be safely melted (m.p. 119 °C), converting a powder blend into a liquid suspension that is free from gas bubbles. Symmetrical cylindrical flames in shallow pools of suspensions of Fe and Mn powders in liquid sulfur and combustion of the same liquid mixtures in preheated narrow steel tubes have been studied to determine flame propagation speeds as a function of mixture composition. It was found that, contrary to the behavior of the calculated flame temperature, flame speed decreases with the increase of the manganese content in the mixture and is not affected by mixture dilution with the combustion product. Direct measurements of the flame temperatures by thermocouples indicated a weak dependence of the peak flame temperature on mixture composition and revealed a two-stage flame structure. The existence of the two distinct reaction zones in the mixture of two reactive metals with sulfur is in accordance with qualitative theoretical predictions by the theory of flame with parallel reactions existing in the literature. According to theory, the reaction with the higher flame speed in a corresponding binary single-metal–sulfur mixture will form the leading stage of the complex flame front and will govern the flame propagation speed in the ternary composition. The speed of flame propagation in pure Fe–S mixture is almost three times higher than the flame speed in Mn–S mixture. As a result, the iron–sulfur reaction dominates the flame propagation mechanism in Fe–Mn–S suspension.     

Phase composition and magnetic structure in nanocrystalline ferromagnetic Fe–N–O films

The chemical and phase compositions and structure of the Fe–N–O films produced by reactive dc magnetron sputtering (in Ar or Ar + N₂ gas mixture atmospheres) under different conditions (energy parameters of magnetron, residual pressure in the magnetron chamber after preliminary pumping, operating pressure in gas mixture) have been investigated by energy-dispersive X-ray spectroscopy, X-ray diffraction analysis, and vibrating sample magnetometry. Impurity of nitrogen and oxygen, which are present in the sputtered films, participate in the formation of their phase composition and determine its features. Some phenomena inherent in the nanocrystalline films in the metastable state were found. These are the formation of supersaturated bcc interstitial αFe-based solid solution and precipitation of α’ nitrous martensite with bct crystal lattice. The magnetic structure of the Fe–N–O films, which is characterized by the existence of stochastic domains discovered by correlation magnetometry method, is discussed in terms of the random anisotropy model. It was found that two modes of the magnetic anisotropy field of stochastic domains are formed, which determine the existence of two modes of the coercive field found in the magnetic hysteresis loops.     

No-go theorem for critical phenomena in large-N(c) QCD

We derive some rigorous results on the chiral phase transition in QCD and QCD-like theories with a large number of colors, N(c), based on the QCD inequalities and the large-N(c) orbifold equivalence. We show that critical phenomena and associated soft modes are forbidden in flavor-symmetric QCD at finite temperature T and finite but not so large quark chemical potential μ for any nonzero quark mass. In particular, the critical point in QCD at a finite baryon chemical potential μ(B)=N(c)μ is ruled out, if the coordinate (T, μ) is outside the pion condensed phase in the corresponding phase diagram of QCD at a finite isospin chemical potential μ(I)=2μ.     

Numerical study of self-sustained oblique detonation in a non-uniform mixture

Self-sustained oblique detonation behind a spherical projectile formed in a non-uniform H₂/O₂/Ar mixture was numerically investigated. A hypersonic combustible mixture flow around a 4.76 mm diameter body was modeled to be flowing at 2500 m/s and 100 kPa. The concentration gradient was prescribed applying the Gaussian distribution to hydrogen concentration. Axisymmetric Euler equations including a detailed kinetics of 9 species and 27 elementary reactions were solved with an explicit 2nd-order time integration scheme combined with point implicit method for chemical reaction. Oblique detonation was always obtained when the mixture on the centerline was stoichiometric, as it is for a uniform mixture, and a broader range of equivalence ratio could sustain oblique detonation far from the sphere. Local detonation angle was revealed to reasonably match Chapman-Jouguet analytical solutions with a minor difference attributed to curvature, less reactive composition, and the concentration gradient. Also, a strongly fuel-rich region encountered decoupling of the shock-flame, in which an abrupt deflection of the shock front appeared. These decoupling phenomena can be attributed to a slower kinetics of a less reactive mixture. All of interesting findings in this study will also benefit understanding of various form of detonation in non-uniform mixture taking advantage of the analogy between them.     

Time-dependent Ginzburg-Landau equation for lattice hydrodynamic model describing pedestrian flow

A thermodynamic theory is formulated to describe the phase transition and critical phenomena in pedestrian flow. Based on the extended lattice hydrodynamic pedestrian model taking the interaction of the next-nearest-neighbor persons into account, the time-dependent Ginzburg-Landau (TDGL) equation is derived to describe the pedestrian flow near the critical point through the nonlinear analysis method. The corresponding two solutions, the uniform and the kink solutions, are given. The coexisting curve, spinodal line, and critical point are obtained by the first and second derivatives of the thermodynamic potential.     

Dynamically driven renormalization group

We present a detailed discussion of a novel dynamical renormalization group scheme: the dynamically driven renormalization group (DDRG). This is a general renormalization method developed for dynamical systems with non-equilibrium critical steady state. The method is based on a real-space renormalization scheme driven by a dynamical steady-state condition which acts as a feedback on the transformation equations. This approach has been applied to open nonlinear systems such as self-organized critical phenomena, and it allows the analytical evaluation of scalling dimensions and critical exponents. Equilibrium models at the critical point can also be considered. The explicit application to some models and the corresponding results are discussed.