Multiplicity of detonation regimes in systems with a multi-peaked thermicity

The study investigates detonations with multiple quasi-steady velocities that have been observed in the past in systems with multi-peaked thermicity, using Fickett's detonation analogue. A steady-state analysis of the travelling wave predicts multiple states, however, all but the one with the highest velocity develop a singularity after the sonic point. Simulations show singularities are associated with a shock wave which overtakes all sonic points, establishing a detonation travelling at the highest of the predicted velocities. Under a certain parameter range, the steady-state detonation can have multiple sonic points and solutions. Embedded shocks can exist behind sonic points, where they link the weak and strong solutions. Sonic points whose characteristics do not diverge are found to be unstable, and to be the source of the embedded shocks. Numerical simulations show that these shocks are only quasi-stable. This is believed to be due in part to a feature of the model which permits shocks anywhere behind a sonic point.     

脉冲爆轰发动机热射流起爆机理数值分析

应用频散可控耗散差分格式,求解具有化学反应项的Euler方程,探讨了热射流起爆可燃混合气缩短DDT过程的物理机制.数值研究模拟了不同条件下的起爆过程,从氢氧链式反应出发详细分析了氢氧爆轰直接起爆的SWACER(能量释放而形成激波或压缩波的相干放大)机制的建立条件,讨论了热射流起爆存在超临界、临界和亚临界三种直接起爆机制.     

Structure of supercritical water: The concept of critical isotherm as a percolation threshold

Computer simulations are used to study the rearrangements of hydrogen-bonded structures of water upon transition to the supercritical state. It is shown that the destruction of the infinite hydrogen-bonded cluster, i.e., crossing the percolation threshold occurs in the subcritical region and that, at the critical temperature, structural variations reach the point where the fluid acquires the properties of a system with two types of ordering. The existence of tetrahedral clusters in supercritical water is confirmed only at high pressure.     

Effect of ozone addition and ozonolysis reaction on the detonation properties of C2H4/O2/Ar mixtures

Ozone is one of the strongest oxidizers and can be used to enhance detonation. Detonation enhancement by ozone addition is usually attributed to the ozone decomposition reaction which produces reactive atomic oxygen and thereby accelerates the chain branching reaction. Recently, ozonolysis reaction has been found to be another mechanism to enhance combustion for unsaturated hydrocarbons at low temperatures. In this study, the effects of ozone addition and ozonolysis reaction on steady detonation structure and transient detonation initiation and propagation processes in C₂H₄/O₂/O₃/Ar mixtures are examined through simulations considering detailed chemistry. Specifically, the homogeneous ignition process, the ZND detonation structure, the transient direct detonation initiation, and pulsating instability of one-dimensional detonation propagation are investigated. It is found that the homogenous ignition process consists of two stages and the first stage is caused by ozonolysis reactions which consume O₃ and produces CH₂O as well as H and OH radicals. The ozonolysis reaction and ozone decomposition reaction can both reduce the induction length though they have little influence on the Chapman–Jouguet (CJ) detonation speed. The supercritical, critical and subcritical regimes for direct detonation initiation are identified by continuously decreasing the initiation energy or changing the amount of ozone addition. It is found that direct detonation initiation becomes easier at larger amount of ozone addition and/or larger reaction progress variable. This is interpreted based on the change of the induction length of the ZND detonation structure. Furthermore, it is demonstrated that the ozonolysis reaction can reduce pulsating instability and make the one-dimensional detonation propagation more stable. This is mainly due to the reduction in activation energy caused by ozone addition and/or ozonolysis reaction. This work shows that both ozone decomposition reaction and ozonolysis reaction can enhance detonation for unsaturated hydrocarbon fuels.     

A review of direct numerical simulations of astrophysical detonations and their implications

Multi-dimensional direct numerical simulations (DNS) of astrophysical detonations in degenerate matter have revealed that the nuclear burning is typically characterized by cellular structure caused by transverse instabilities in the detonation front. Type Ia supernova modelers often use onedimensional DNS of detonations as inputs or constraints for their whole star simulations.While these one-dimensional studies are useful tools, the true nature of the detonation is multi-dimensional. The multi-dimensional structure of the burning influences the speed, stability, and the composition of the detonation and its burning products, and therefore, could have an impact on the spectra of Type Ia supernovae. Considerable effort has been expended modeling Type Ia supernovae at densities above 1×10⁷ g·cm^-3 where the complexities of turbulent burning dominate the flame propagation. However, most full star models turn the nuclear burning schemes off when the density falls below 1×10⁷ g·cm^-3 and distributed burning begins. The deflagration to detonation transition (DDT) is believed to occur at just these densities and consequently they are the densities important for studying the properties of the subsequent detonation. This work will review the status of DNS studies of detonations and their possible implications for Type Ia supernova models. It will cover the development of Detonation theory from the first simple Chapman–Jouguet (CJ) detonation models to the current models based on the time-dependent, compressible, reactive flow Euler equations of fluid dynamics.     

Ion-exchange of monovalent and bivalent cations with NaA zeolite membranes : a molecular dynamics study

Molecular simulations using the method of molecular dynamics have been carried out to study the dynamics and energetics of ion exchanges between monovalent and bivalent cations in supercritical and subcritical (liquid) electrolyte solutions (here Li⁺, and Ca⁺⁺ in aqueous solutions of LiCl and CaCl₂) and an ion exchange membrane (NaA zeolite) using direct simulations of up to a nanosecond or more. NaA zeolites are widely used in many commercial ion-exchange processes including detergents. Results show that with appropriate driving forces, such ion exchange processes can be clearly witnessed and investigated using molecular simulations at these timescales, especially for supercritical solutions. An attempt is made to understand the phenomenon of ion exchange at the molecular level. Results have shown that the ion-exchange process is primarily energetically driven and entropic forces do not appear to be playing a significant role in the exchanges observed. For supercritical LiCl solutions, small differences were found between the energy of the Li⁺ inside and outside the membrane. In contrast, for Na⁺ there was a considerable energetic advantage in being outside the membrane, making the overall exchange process energetically favourable. In subcritical (liquid) LiCl solutions an exchange was found to be more favourable energetically than supercritical solutions. For Ca⁺⁺ similar trends were observed, except the differences in the energies were much larger (compared to the corresponding Li⁺ exchanges), making them more energetically efficient, as has also been observed experimentally. In addition to clarifying the molecular basis for these exchanges, simulations can also potentially be very useful to determine the behaviour (e.g. state dependence, etc.) of hydrodynamic parameters commonly used to characterize ion-exchange processes at a fundamental molecular level, and to determine if the hydrodynamic equations used for ion-exchange processes are applicable to nano-systems that can be studied using simulations.     

Hydrothermal Synthesis of Metal Oxide Nanoparticles at Supercritical Conditions

Hydrothermal synthesis of CeO₂ and AlO(OH) were conducted using a flow type apparatus over the range of temperature from 523 to 673 K at 30 MPa. Nanosize crystals were formed at supercritical conditions. The mechanism of nanoparticle formation at supercritical conditions was discussed based on the metal oxide solubility and kinetics of the hydrothermal synthesis reaction. The reaction rate of Ce(NO₃)₃ and Al(NO₃)₃ was evaluated using a flow type reactor. The Arrhenius plot of the first order rate constant fell on a straight line in the subcritical region, while it deviated from the straight line to the higher values above the critical point. The solubility of Ce(OH)₃ and AlO(OH) was estimated by using a modified HKF model in a wide range of pH and temperature. In acidic conditions, where hydrothermal synthesis reaction is concerned, solubility gradually decreased with increasing temperature and then drastically dropped above the critical point. The trend of the solubility and the kinetics around the critical point could be explained by taking account of the dielectric constant effect on the reactions. There are two reasons why nanoparticle are formed at supercritical conditions. Larger particles are produced at subcritical conditions due to Ostwald ripening; that could not be observed in supercritical water because of the extremely low solubility. Second reason is the faster nucleation rate in supercritical water because of the lower solubility and the extremely fast reaction rate.     

Hopf Bifurcation in a New Four-Dimensional Hyperchaotic System

In this paper, the Hopf bifurcation in a new hyperchaotic system is studied. Based on the first Lyapunov coefficient theory and symbolic computation, the conditions of supercritical and subcritical bifurcation in the new hyperchaotic system are obtained. Numerical simulations are used to illustrate some main results.     

Hopf Bifurcation in a New Four-Dimensional Hyperchaotic System

In this paper, the Hopf bifurcation in a new hyperchaotic system is studied. Based on the first Lya-punov coefficient theory and symbolic computation, the conditions of supercritical and subcritical bifurcation in the new hyperchaotic system are obtained. Numerical simulations are used to illustrate some main results.     

A molecular dynamics study of fuel droplet evaporation in sub- and supercritical conditions

Evaporation processes of a fuel droplet under sub- and supercritical ambient conditions have been studied using molecular dynamics (MD) simulations. Suspended n-dodecane droplets of various initial diameters evaporating into a nitrogen environment are considered. Both ambient pressure and temperature are varied from sub- to supercritical values, crossing the critical condition of the chosen fuel. Temporal variation in the droplet diameter is obtained and the droplet lifetime is recorded. The time at which supercritical transition happens is determined by calculating the temperature and concentration distributions of the system and comparing with the critical mixing point of the n-dodecane/nitrogen binary system. The dependence of evaporation characteristics on ambient conditions and droplet size is quantified. It is found that the droplet lifetime decreases with increasing ambient pressure and/or temperature. Supercritical transition time decreases with increasing ambient pressure and temperature as well. The droplet heat-up time as well as subcritical to supercritical transition time increases linearly with the initial droplet size d₀, while the droplet lifetime increases linearly with ${\mathrm{d}}_0^2$. A regime diagram is obtained, which indicates the subcritical and supercritical regions as a function of ambient temperature and pressure as well as the initial droplet size.     

Coherence resonance near a Hopf bifurcation

We report on the observation of coherence resonance for a semiconductor laser with short optical feedback close to Hopf bifurcations. Noise-induced self-pulsations are documented by distinct Lorentzian-like features in the power spectrum. The character of coherence is critically related to the type of the bifurcation. In the supercritical case, spectral width and height of the peak are monotonic functions of the noise level. In contrast, for the subcritical bifurcation, the width exhibits a minimum, translating into resonance behavior of the correlation time in the pulsation transients. A theoretical analysis based on the generic model of a self-sustained oscillator demonstrates that these observations are of general nature and are related to the fact that the damping depends qualitatively different on the noise intensity for the subcritical and supercritical case.     

Effect of Cellular Instability on the Initiation of Cylindrical Detonations

The direct initiation of detonations in one-dimensional(1 D) and two-dimensional(2 D) cylindrical geometries is investigated through numerical simulations. In comparison of 1 D and 2 D simulations, it is found that cellular instability has a negative effect on the 2 D initiation and makes it more difficult to initiate a sustaining 2 D cylindrical detonation. This effect associates closely with the activation energy. For the lower activation energy,the 2 D initiation of cylindrical detonations can be achieved through a subcritical initiation way. With increasing the activation energy; the 2 D cylindrical detonation has increased difficulty in its initiation due to the presence of unreacted pockets behind the detonation front and usually requires rather larger source energy.     

An elementary model for fast detonations in tubular charges

The paper is concerned with the experimentally known phenomenon that the detonation velocity of a tubular charge may markedly exceed that of a homogeneous charge of the same explosive. It is shown that the effect may be successfully reproduced using a simple quasi-one-dimensional two-layer model assuming the gas–solid system to be isothermal and the volumetric fraction of the solid phase to be small. In view of a considerable drop of the burned gas pressure/density, compared to the Chapman–Jouguet case, fast detonation may be perceived as a variety of weak (undercompressed) detonation.     

Different localized states of travelling-wave convection in a rectangular container

We have performed numerical simulations of localized travelling-wave convection in a binary fluid mixture heated from below in a long rectangular container. Calculations are carried out in a vertical cross section of the rolls perpendicular to their axes. For a negative enough separation ratio, two types of quite different confined states were documented by applying different control processes. One branch of localized travelling waves survives only in a very narrow band within subcritical regime, while another branch straddles the onset of convection existing both in subcritical and supercritical regions. We elucidated that concentration field and its current are key to understand how confined convection is sustained when conductive state is absolutely unstable. The weak structures in the conducting region are demonstrated too.     

Effect of unbalanced rotor whirl on blade vibrations

In this paper, vibration of a bladed unbalanced flexible rotor is studied. The blade that is attached to the disk is considered as a fixed-free Euler-Bernoulli beam. Position of the blade with respect to the eccentric mass is taken into consideration. Coupled equations of the motion of unbalanced rotor and the blades are obtained through Lagrange equations. The dynamic equations have time variant periodic coefficients. Transient vibration analysis showed that rotor acceleration excites the blade vibration with its own natural frequency. While the rotor passes through its own natural frequency (critical speed) the blade vibration is again excited but this time with the rotor natural frequency. Modal behavior of the blades are different for subcritical, supercritical and for critical speed of the rotor. In the subcritical run of the rotor, blades located from 0° to 180° with respect to the eccentric mass are deflected in the negative direction while the rest are deflected in the positive direction. For supercritical run of the rotor, modal behavior of the blades is just the opposite. For critical speed of the rotor, blades located 90° to 270° from the eccentric mass are deflected in the positive direction while the rest of the blades are deflected in the negative direction. Blades have also different deflections. When the deflections of the blades are plotted with respect to their position angle, distribution of the blade deflections has a sinusoidal shape.     

WKB Analysis for Nonlinear Schrödinger Equations with Potential

We justify the WKB analysis for the semiclassical nonlinear Schrödinger equation with a subquadratic potential. This concerns subcritical, critical, and supercritical cases as far as the geometrical optics method is concerned. In the supercritical case, this extends a previous result by E. Grenier; we also have to restrict to nonlinearities which are defocusing and cubic at the origin, but besides subquadratic potentials, we consider initial phases which may be unbounded. For this, we construct solutions for some compressible Euler equations with unbounded source term and unbounded initial velocity.     

Propagation of gaseous detonation across inert layers

In rotating detonation engines and explosion accidents, detonation may propagate in an inhomogeneous mixture with inert layers. This study focuses on detonation propagation in a stoichiometric H₂/O₂/N₂ mixture with multiple inert layers normal to the detonation propagation direction. One- and two-dimensional simulations considering detailed chemistry are conducted. The emphasis is placed on assessing the effects of inert layer on detonation reinitiation/failure, detonation propagation speed, detonation cell structure and cell size. Specifically, the inert layer thickness and the spacing between two consecutive inert layers are varied. Either detonation reinitiation or failure across the inert layers is observed. It is found that successful detonation reinitiation occurs only at relatively small values of the inert layer thickness and spacing. For each given value of the inert layer spacing, there is a critical inert layer thickness above which detonation fails after crossing the inert layers. This critical inert layer thickness is found to decrease as the inert layer spacing increases. The detailed process of detonation reinitiation across the inert layers is analyzed. The interaction between the transverse shock waves is shown to induce local autoignition/explosion and eventually over-driven detonation development in the reactive layer. The averaged detonation propagation speed in the inhomogeneous mixture is compared to the CJ speed and very good agreement is achieved. This indicates that the inert layer does not affect the detonation propagation speed once successful detonation reinitiation happens. Unlike the detonation speed, the detonation cell structure and cell size are greatly affected by the inert layer results. For the first time, large cellular structure with size linearly proportional to the inert layer spacing is observed for detonation propagation across inert layers. Besides, a double cellular structure is observed for relatively large spacing between inert layers. The formation of double cellular structure is interpreted.     

Critical behaviour in Au fragmentation at 10.7A GeV

The complete charge distribution of products from Au nuclei fragmenting in nuclear emulsion at 10.7A GeV has been measured. Multiplicities of produced particles and particles associated with the target source are used to select peripheral and central events. A statistical analysis, based on event-by-event charge distributions, show that a population of subcritical, critical and supercritical events, i.e. a phase transition like behaviour, is observed among peripheral collisions. Received: 23 September 1997     

Influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of binary Lennard-Jones mixtures

The influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of six binary Lennard-Jones (LJ) mixtures was studied by molecular dynamics (MD) simulations and density gradient theory (DGT). The mixtures were investigated at a constant temperature T, at which the low-boiling component, which is the same in all mixtures, is subcritical. Two different high-boiling components were considered: one is subcritical, the other is supercritical at T. Furthermore, the unlike dispersive interaction was varied such that mixtures with three different types of phase behaviour were obtained: ideal, low-boiling azeotrope, and high-boiling azeotrope. In a first series of simulations, the full LJ potential was used to describe these mixtures. To assess the influence of the long-range interactions, these results were compared with simulations carried out with the LJ truncated and shifted (LJTS) potential applying the corresponding states principle. The dispersive long-range interactions have a significant influence on the surface tension and the interfacial thickness of the studied mixtures, whereas the relative adsorption and the enrichment are hardly affected. Furthermore, the influence of the long-range interactions on Henry's law constants and the phase envelopes of the vapour–liquid equilibrium was investigated. The long-range interactions have practically no influence on the composition dependency of the investigated mixture properties.