纳米尺度下气泡核化生长的分子动力学研究

采用分子动力学方法模拟纳米尺度下液体在固体壁面上发生核化沸腾的过程,主要研究壁面浸润性对气泡初始核化过程和气泡生长速率的影响以及固-液界面效应在液体核化沸腾的能量传递过程中所起到的作用.研究结果发现：壁面浸润性越强,气泡在固壁处越容易核化.该结果与经典核化理论中“疏水壁面易于产生气泡”的现象产生了明显的区别.其根本原因是在纳米尺度下,固-液界面热阻效应不能被忽略.一方面,在相同的壁温下,通过增强固-液相互作用,可以显著降低界面热阻,使得热量传递效率提高,导致靠近壁面处的流体温度升高,气泡核化等待时间缩短,有利于液体沸腾核化.另一方面,气泡的生长速率随着壁面浸润性的增强而明显升高.当气泡体积生长到一定程度时,会在壁面处形成气膜,从而导致壁面传热性能恶化.因此,通过壁面的热流密度呈现出先增大后减小的规律.     

Microscopic Boiling of Liquid Nitrogen Induced by a Pulsed Laser Irradiation

An experimental investigation was conducted to explore the characteristics of microscopic boiling induced by firing a microsecond pulsed laser beam on a thin platinum (Pt) film that immerged in the liquid nitrogen (LN₂) cryostat. High-speed photography aided by a high-voltage lighting system was employed to visually observe the bubble formation and the dynamical boiling process of LN₂. A rapid transient temperature-measuring system was designed to record the temperature evolution of the heating surface. Explosive boiling, characterized by bubble cluster, was observed within LN₂ at the early stage of laser heating, and conventional boiling followed after a certain time. The transition time, therefore, was introduced for separating these two different boiling modes. The temperature of Pt film rose sharply to its maximum during laser pulse, with a very high rising rate of about 10⁷ K/s, and then dropped rapidly after laser irradiation. A model of bubble cluster was proposed to describe the explosive boiling heat transfer, and the latent heat released by bubble collapse in explosive boiling was explored as an important mechanism considerably influencing the boiling heat transfer.     

异质原子对液体气泡成核影响的分子动力学模拟

采用分子动力学方法模拟了池沸腾中液体层加入异质原子对气泡成核的影响.分析了异质原子能量参数对液体起始气泡成核时间和温度的影响及其机理.结果表明,当异质原子能量参数小于液氩能量参数时,液体起始气泡成核时间缩短,起始温度降低.当异质原子剂能量参数大于液氩能量参数时,液体起始气泡成核时间增加,起始温度升高.异质原子在壁面上的吸附及在液体中的扩散行为影响固液界面性质,较大能量参数的异质原子扩散系数较小,更多能量参数较大的原子吸附在固体表面上使得壁面势能壁垒增加,导致沸腾时间延迟,液体需要吸收更多的热量克服势能壁垒,进而提高沸腾起始温度.能量参数较小的异质原子扩散系数较大,异质原子更容易分散到液体中,使得壁面附近液体层势能减小,液体层更容易气泡成核行为.     

核态沸腾中汽泡动力学及传热机理分析

汽泡的传热及生长特性研究对于揭示核态沸腾的机理具有重要作用。本文介绍了利用高速摄像技术对核态沸腾中汽泡生长及运动现象进行实验观测,并用高速数据采集系统记录汽泡一个生长周期不同阶段的热流密度的方法。在不同的过冷度及壁面温度条件下,观测了汽泡的生长、周期性滑移、颈化和脱离现象。计算并绘制出不同条件下一个汽泡生长周期内的热流密度曲线,与汽泡图片相对应,分析并讨论了造成这些现象的机理。     

纳米颗粒对沸腾活化核心密度的影响

根据实验所得沸腾曲线,对纳米颗粒悬浮液进行稳态数值模拟,计算了不同过热度下活化核心的密度.计算结果表明一对于不同浓度的纳米颗粒悬浮液,在考虑了其物性变化对沸腾传热的影响外,颗粒的加入对活化核心密度产生的影响是主要的因素,并且影响效果随颗粒浓度的变化不呈单向趋势.     

饱和液氮爆发沸腾实验与传热机理分析

瞬态高热流加热下饱和液氮会发生爆发沸腾,而对于该过程的特殊传热机理因素,目前还没有相关的深入研究和分析。本文基于实验,在总结沸腾传热机理研究成果的基础上,重点分析了饱和液氮爆发沸腾过程中以汽泡群形态实现热量传递的特殊之处,并进行了理论模拟验证。结果表明,汽泡群内部众多汽泡所发生的破裂收缩行为,会释放潜热并形成热流,成为爆发沸腾独特的传热机理影响因素。     

等离子屏蔽效应下飞秒激光照射金箔的分子动力学模拟

采用耦合了双温度模型的分子动力学方法对飞秒激光烧蚀金箔的传热过程进行了模拟研究,考虑了非傅里叶效应,探究了不同激光能流密度下等离子体羽流的屏蔽作用.根据密度分布将激光烧蚀过程中的金箔划分为过热液体层、熔融液体层和固体层,并比较了不同激光能量密度下过热液体层表面发生的相爆炸沸腾现象以及表面温度的变化情况.结果表明,随着激光能量密度的增大,等离子体的屏蔽比例几乎呈线性增大.在激光的烧蚀过程中,金箔的上表面最先经历液体层以及过热液体层,并且随着时间的推移,液体层和过热液体层逐渐向金箔底部移动.过热液体层发生体积移除的相爆炸沸腾是金箔烧蚀的主要方式,随着激光能量的增大,爆炸沸腾发生的时间提前,并且结束的时间相应延后,持续时间变长.     

The collapsing bubble in a liquid by molecular dynamics simulations

Molecular dynamics simulations have been made of a collapsing bubble or cavity in a simple liquid. Simulations of a Lennard-Jones liquid reveal that the collapsing process takes place in a series of stages. First, the ‘hottest’ molecules from the high kinetic energy tail in the Maxwell—Boltzmann distribution diffuse into the empty cavity. This is followed by a gradual filling in of the cavity until the density in the centre is a little lower than that of the bulk liquid. The system eventually reaches a final new equilibrium liquid state through a subsequent slower equilibration phase. The bubble fills in an oscillatory manner, by partly filling in, and then partially emptying, and so on, with ever decreasing amplitude towards the final uniform liquid state. These density oscillations are more obvious in systems with a larger bubble. Similar oscillations are observed in the kinetic energy of the molecules at selected radii from the centre of the initial bubble. The maximum temperature occurs typically at the end of the initial fillingin stage during which the density of the core undergoes a vapour-to-liquid phase transition, the released latent heat probably contributing to the temperatures achieved in this region. The average maximum temperature found in the smallest system examined is about nine times the critical temperature, which is about 6000 K for water, thus suggesting a simple mechanism for producing molecules with the sorts of kinetic energies and lifetimes required for sonoluminescence.     

混合润湿性柱状纳米结构对铜板上纳米氩膜沸腾传热的影响

混合润湿性对固/液相互作用有显著影响,因此对提高相变过程中的传热速率有积极作用.采用分子动力学模拟方法研究了柱状纳米结构表面混合润湿性对池沸腾传热的影响.分析了混合润湿性和纳米结构柱高对液体起始沸腾时间和温度的影响及其机理.结果表明,疏水比例和柱高会影响爆沸的起始温度和时间.与纯亲水壁相比,增加疏水比改变了固液界面性质,可以降低沸腾温度,更容易突破势能壁垒,使液体起始沸腾时间提前,并且随着疏水比的增加,不同柱高下的沸腾温度降低;当疏水比相同时,增加柱高扩大了混合润湿性的影响,也能降低沸腾起始温度并使液体起始沸腾时间提前.这为设计微纳粗糙结构和混合润湿表面以强化沸腾传热提供了思路.     

微重力核态沸腾近壁面汽泡生长模型

建立二维近壁面汽泡生长模型,研究过冷度,壁面过热度,壁面物性,接触角,核化点尺寸等因素对汽泡生长的影响.本文建立的汽泡生长模型在低壁面过热度条件下趋近于微液层蒸发控制的汽泡生长模型,在高壁面过热度条件下趋近于无限过热液体中传热控制球形汽泡生长模型.     

经典理论对超急速爆发沸腾的适用性

分析了难以用经典热力学、动力学理论求液体极限温度的原因,指出了三种汽泡形核率公式的异同点及适用条件,分析表明常规沸腾汽泡压力公式及经典汽泡动力学理论因其过多的理想化假设和简化而不适用超急速爆发沸腾。     

一个新的核态沸腾汽泡动力学模型

本文在经典汽泡动力学理论基础上，提出了描述汽泡生长过程的综合界面模型．本模型的核心在于汽泡内部的热力学过程的详细分析及汽液界面的传热、传质过程的详细描述．并对汽泡生长过程进行了模拟计算，给出了动力学控制阶段的时间范围．本模型对汽泡生长、汽膜发展的理论分析及数值模拟提供了良好的基础．     

Effect of nanostructures on evaporation and explosive boiling of thin liquid films: a molecular dynamics study

Molecular dynamics simulations have been employed to investigate the boiling phenomena of thin liquid films adsorbed on a nanostructured solid surface. The molecular system was comprised of the following: solid platinum wall, liquid argon, and argon vapor. A few layers of the liquid argon were placed on the nanoposts decorated solid surface. The nanoposts height was varied keeping the liquid film thickness constant to capture three scenarios: (i) liquid-film thickness is higher than the height of the nanoposts, (ii) liquid-film and nanoposts are of same height, and (iii) liquid-film thickness is less than the height of the nanoposts. The rest of the simulation box was filled with argon vapor. The simulation was started from its initial configuration, and once the equilibrium of the three phase system was established, the wall was suddenly heated to a higher temperature which resembles an ultrafast laser heating. Two different jump temperatures were selected: a few degrees above the boiling point to initiate normal evaporation and far above the critical point to initiate explosive boiling. Simulation results indicate nanostructures play a significant role in both cases: Argon responds very quickly for the nanostructured surface, the transition from liquid to vapor becomes more gradual, and the evaporation rate increases with the nanoposts height.     

热激励下碳纳米管与水混合体系传质传热的分子动力学模拟

爆发沸腾换热和纳米流体传热具有很重要的理论和实用意义.但由于爆发沸腾传热过程中,液体内部空间温度梯度大,相变速度快,表现出一定的特殊性,纳米流体传热对其传热过程机理的研究,往往需要在实验条件难以实现的空间和时间极限下,充分研究液相和气相内部的温度、压力和运动状态及其空间分布.采用分子动力学的方法,通过对比研究纯水和碳纳米管/水混合体系爆发沸腾过程,对两种体系密度分布、温度场和应力场研究和对比分析,揭示碳纳米管/水混合体系的强化换热机理,探究碳纳米管对混合体系爆发沸腾换热和纳米流体传热的促进作用.     

Fourier and Wavelet Transform Analysis of Pressure Signals during Explosive Boiling

The transient pressure in a liquid-pool during explosive boiling of acetone is measured by a micro-pressure-measuring system. The Fast Fourier transform and continuous wavelet transform methods are applied to investigate the frequency characteristics. The results show that the dominant frequency of the explosive boiling is 0-2 MHz, and the bubble cluster formed by numerous tiny bubbles departs twice. Analysis and discussions are also conducted to explain the bubble evolution during the explosive boiling.     

Possible Mechanism for Formation of Nonwettable “Dry Spots” on a Heated Surface during Nucleate Pool Boiling: II. Feedwater Stop Regime

The problems of simulation of heterogeneous nucleate pool boiling on a horizontal surface on the ascending branch of the boiling curve from the formation of a steam lens (SL) to the boiling crisis are considered. The proposed hypothesis provides in a number of cases a logically consistent interpretation of experiments and outlines the organizational principle of transferring the wall–liquid–steam system into the regime of nonwettable “dry spot” formation. The model includes the following types of nucleate boiling: (a) cyclic boiling with the contact line reverse to the bubble bottom center and bubble departure from the surface (at low heat flux q and the contact angle θ < 90°); (b) single steam bubble conversion into a steam lens, i.e., local film boiling with the possibility of spreading of a single “dry spot” at the variation of the contact angle θ ≥ 90°, and substantial growth of the departure diameter D_d and SL lifetime τd; (c) formation of a single steam cluster of four SLs at a given pressure, the liquid underheating, and the average wall overheating.     

Stability of active systems with a spatially periodic activity: Analysis of a simple model and application to the boiling crisis problem

We investigate theoretically the possibility to control the transition between two metastable states in reactive systems by imposing a spatial modulation. In particular, we consider the technologically very important case of the transition between the low temperature (nucleate boiling) and the high temperature (film boiling) phases of boiling of a liquid over a heat generating element, also known as the boiling crisis. With the help of a simplified model, we demonstrate that the dangerous regime where the high temperature phase invades the whole system requires a larger heat power in a periodically spatially modulated system, than in a uniform system. The possibility that a local perturbation, such as a small gas bubble, may induce locally a transition to the film boiling state is also considered. We show that the transition to the film boiling regime is hindered in a spatially periodic system. (c) 2002 American Institute of Physics.     

气泡成核过程的格子Boltzmann方法模拟

利用精确差分格子Boltzmann模型探讨水在特定温度下的亚稳态及不稳定平衡态, 获得等温相变过程中形成气泡和液滴的条件, 模型预测结果与理论解符合良好. 在该等温模型的基础上耦合能量方程, 通过调节流体-壁面相互作用力获得不同的气泡与固壁间接触角, 从而建立了一种新的描述气液相变的格子Boltzmann理论模型. 利用该新模型模拟不同流体-壁面相互作用力下凹坑气泡成核过程, 再现了气泡成核过程中的三阶段特性; 探讨了接触角、曲率半径及气泡体积随气泡成核过程的变化关系, 获得了与文献结果定性符合的曲率-气泡体积关系曲线. 关键词： 格子Boltzmann方法 气泡成核过程 气液相变 接触角     

Mathematical simulation of the compression process of a vapor bubble at a pressure increase in the surrounding liquid

The thermophysical and hydrodynamic processes in a spherical vapor bubble and the surrounding liquid at increasing external pressure are investigated by using a numerical simulation method. The investigation is performed on the basis of a new mathematical model belonging to the class of models of homobaric bubbles (the pressure in the bubble is homogeneous at nonhomogeneous temperature and density). The model takes into account the following main physical effects: the viscosity of the liquid, the heat conductivity of the liquid and vapor, the surface tension, and the phase transitions at the bubble surface. An energy equation taking into account convective heat transfer and viscous dissipation in the liquid is used to calculate the temperature fields in the liquid and vapor. The model also takes into account the dependence of the thermophysical properties on the temperature. A distinctive feature of the proposed model is that the integral conservation law of the system’s total energy (including the kinetic energy of the liquid, the surface energy, and the internal energy of the liquid and vapor) is exactly satisfied (without allowance for the kinetic energy of the vapor). As a result of the numerical simulation of the compression of vapor bubbles in water, we obtained data for the major characteristics of the process at considerable degrees of compression. It is shown that the heat and mass transfer between the vapor in a bubble and the surrounding liquid considerably slow down the temperature increase in the bubble.     

Atomic dynamics of explosive boiling of liquid-argon films

Using molecular-dynamics simulation, we study the explosive boiling of thin liquid-argon films adsorbed on a metal surface. This process might be induced by heating the metal substrate by an ultra-fast laser. Upon sudden heating of the metal to temperatures well beyond the critical temperature of Ar, the film starts boiling. While thin films, with thickness below seven monolayers, fragment completely, in larger films only the near-surface Ar layers vaporize. The resulting vapor pressure drives the expansion of the remaining liquid overlayers. By monitoring the space and time dependence of the hydrodynamic variables density, pressure, and temperature, as well as the local thermodynamic state in the Ar sample, we obtain a detailed microscopic picture of the explosive boiling process. Finally, as a result of the fragmentation process, the abundance distribution of the clusters formed in the expansion follows a power-law distribution for cluster sizes m ≲ 10.