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     

格子Boltzmann方法模拟气泡生长脱离

格子Boltzmann方法具有微介观的特性,能够自动捕捉和追踪界面,在多相流领域有广阔的应用前景。对于伴有气液相变的传热问题,格子Boltzmann方法已有模型较少,其中有一部分是通过质量变化间接反映相变过程,不能真实反映温度场的演化和影响。本文采用了模拟多相流动和分离的自由能模型,结合基于Stefan边界的相变传热模型,考虑壁面自由能对流体与壁面间润湿性的影响,模拟了静态接触角、过热壁面的气泡生长和脱离,并进行了更接近真实沸腾过程的随机生成气泡的模拟,以及流动沸腾的气泡生长和脱离的模拟。     

格子Boltzmann方法在相变过程中的应用

提出了一种新的描述气液相变过程的单组分格子Boltzmann模型,利用该模型模拟水以及氨分别在R-K,RKS和P-R状态方程控制下的相变过程,发现相对于R-K和RKS状态方程,水以及氨在P-R状态方程控制下模拟结果均与实验值更接近;特别地,P-R状态方程更适合描述氨.为验证该模型处理两相问题的能力,利用该模型模拟不同温度下水以及氨在P-R状态方程控制下的界面密度梯度,所得的结果与经典的界面理论相符.为此,进一步探讨了气泡(液滴)与周围液体(气体)处于力平衡和热平衡时,气泡(液滴)内外压力差在不同温度下与其半径之间的关系,所得的结果满足Laplace定律,并得到了不同温度下水以及氨的表面张力,发现均与实验值符合得很好,且与表面张力临界理论甚为相符.     

基于格子Boltzmann方法的液滴沿固壁铺展动态过程模拟

矿井喷雾降尘是利用水雾使粉尘润湿沉降的过程,考虑到固体与液体间分子作用力,本文采用格子Boltzmann方法对液滴沿固壁铺展的动力学行为进行了数值模拟,结果发现铺展直径及动态接触角随时间呈指数规律,确定了液滴表面张力与铺展最大直径间的关系,固壁润湿性对铺展最大速度值影响较大,这些与物理试验及文献结果符合良好. 进一步考察了疏水性强的固壁,发现当液滴表面张力足够小时,铺展接触角可以在90°以下,与理论公式符合. 研究发现铺展过程中伴随着振荡,且铺展到最大时液膜有回缩趋势. 关键词： 液滴 格子Boltzmann方法 铺展 数值模拟     

枝晶生长和气泡形成的数值模拟

本文建立了二维的格子玻尔兹曼方法-元胞自动机(lattice Boltzmann method-cellular automaton, LBM-CA)耦合模型, 对凝固过程中枝晶生长和气泡形成进行模拟研究. 本模型采用CA方法模拟枝晶的生长, 根据界面溶质平衡法计算枝晶生长的驱动力. 采用基于Shan-Chen多相流的LBM模拟气泡在液相中的生长和运动. 在LBM-CA的耦合模型中包含了固-液-气三相之间的相互作用. 应用Laplace定理和模拟气-液-固三相之间的润湿现象对模型进行了验证. 应用所建立的LBM-CA耦合模型模拟研究了气-液相互作用系数对单气泡生长的影响. 发现单气泡的生长速度和平衡半径随气-液相互作用系数的增大而增大. 定向凝固过程中枝晶和气泡生长的模拟结果再现了枝晶的择优生长、 气泡的优先形核位置、气泡的长大、合并、在枝晶间受挤变形以及在液相通道中的运动等物理现象, 与实验结果符合良好. 此外, 初始气体含量越高, 凝固结束时气泡的体积分数也相对较高. 本模型的模拟结果可以揭示在凝固过程中气泡形核、 生长和运动演化以及与枝晶生长相互作用的物理机理.     

凝固前沿和气泡相互作用的大密度比格子玻尔兹曼方法模拟

建立了二维双组分两相流的大密度比格子玻尔兹曼方法 (lattice Boltzmann method, LBM)模型. 该模型基于改进的Shan-Chen伪势多相流LBM模型, 结合采用不同时间步长的方法, 实现密度比达800以上的气液两相流模拟. 为了对模型进行验证, 模拟了在不同气液相互作用系数和密度比条件下气泡内外压力差与其半径之间的关系, 其结果满足Laplace定律. 将所建立的大密度比LBM与介观尺度的元胞自动机(cellular automaton, CA)和有限差分法(FDM)相耦合, 用LBM模拟气液两相流, 用CA方法模拟固相生长, 用有限差分法模拟温度场, 采用LBM-CA-FDM耦合模型对定向凝固过程中凝固前沿的气泡与液-固界面之间的相互作用进行模拟研究. 结果表明, 绝热气泡的存在影响了温度场分布, 使得凝固前沿接近气泡时, 液-固界面凸起, 在不同的固相生长速度条件下, 出现凝固前沿淹没气泡或气泡脱离凝固前沿的不同情况, 模拟结果与实验结果符合良好. 关键词： 格子玻尔兹曼方法 元胞自动机 凝固 气泡     

内螺纹管流动沸腾气泡行为及换热特性研究

为探究内螺纹管流动沸腾过程中的气泡行为及其对换热的影响机理,采用VOF模型(Volume of Fluid Model)及相变模型对工质在小尺寸水平内螺纹管中的流动沸腾过程进行二维非稳态数值模拟。获得了不同质量流速下工质在管道内的气相分布以及管壁不同位置处的温度、换热系数。分析了内螺纹管流动沸腾过程中的气泡行为特点以及不同气泡行为对换热性能的影响。研究表明:在内螺纹管中随着质量流速的增加,管内含气率降低,平均换热系数增大。管壁面上气泡的滑移、长大行为会削弱对流换热,而近壁面气泡的聚并行为会增强对流换热。     

基于格子Boltzmann方法的二维气泡群熟化过程模拟

Ostwald熟化(ripening)是指局部热力学平衡状态下,颗粒/液滴/气泡系统为了减小界面能而自发地进行颗粒群尺度分布调整的过程,具有重要研究价值.针对目前数值模拟研究不充分的现状,本文采用格子Boltzmann方法,对相变速率主控的二维蒸气泡系统演化开展了数值模拟研究.模拟结果与本文推导的二维气泡群演化标度律符合较好,证实了格子Boltzmann方法对复杂相变-物质输运过程捕捉的准确性.研究同时表明,蒸气泡系统演化过程中物质输运为液相压力不平衡所驱动,并且在小气泡“溃灭”过程中水动力学作用会影响气泡群半径分布函数的局部细节;气-液状态方程参数对熟化过程的影响效果分析显示,气液两相比内能差是驱动相变的核心要素,此差异越大相变速率越快,该结论进一步诠释了化学势驱动熟化过程的物理图像.     

粗糙表面池沸腾的介观数值研究

用Gong-Cheng格子Boltzmann方法汽液相变模型数值研究了具有单个和多个微孔的粗糙表面上的池沸腾传热,通过数值模拟得到了含有多个微孔的粗糙加热面上从自然对流区直至膜态沸腾区的池沸腾曲线。模拟结果表明亲水微孔和疏水微孔中存在不同的汽泡成核和生长形态。存在一个临界微孔深度,使得汽泡脱离频率在该处跃升,从而提高沸腾传热量。在粗糙表面上,汽-液-固三相接触线处具有最低的局部温度和最高的局部热流密度。     

等离子弧焊接熔池演变过程的格子Boltzmann模拟与验证

本文应用基于分子动理论的格子Boltzmann方法,建立了描述定点等离子弧焊接熔池动态演变过程的二维数理模型,对相变过程的传热与流动现象开展模拟;根据焊接过程能量分布特点改进等离子弧的组合式热源模型,采用total-enthalpy模型求解温度、速度分布及追踪相界面。研究结果表明,模拟的熔合线形状与实验焊缝吻合,格子Boltzmann模拟得到的计算精度及计算效率均优于基于连续流体假设的有限容积法,验证了格子Boltzmann方法用于等离子弧焊接模拟的可行性和优越性;熔池中出现两个方向相反的环流,流动对焊缝形状的作用不容忽略;熔池的流动方式影响了温度场、速度场及二者协同度,直接影响固相线上的热量传递,促进了焊缝中部凸起的形成。     

Effect of Bubble Contact Diameter on Bubble Departure Size in Flow Boiling

The growth and departure of bubbles on a vertical heated wall of an annular channel in flow boiling were observed by a high-speed camera, and the bubble contact diameter and bubble departure diameter were measured. It was found that bubble departure diameters were different among different nucleation sites in the same boiling area (same test condition, same surface roughness). Force balance on a single bubble attached to the heated surface was also analyzed to explain this phenomenon. The theoretical research results show that bubble contact diameter has a significant influence on bubble departure diameter, and the corresponding departure diameter is larger as the bubble contact diameter is larger. This agrees with the visual experimental results.     

Strongly first order electroweak phase transition induced by primordial hypermagnetic fields

We consider the effect of the presence of a hypermagnetic field at the electroweak phase transition. Screening of the Z-component inside a bubble of the broken phase delays the phase transition and makes it stronger first order. We show that the sphaleron constraint can be evaded for m_H up to 100 GeV if a B_Y0.3T² exists at the time of the EW phase transition, thus resurrecting the possibility for baryogenesis within the minimal standard model (provided enough CP violation can be obtained). We estimate that for m_H100 GeV the Higgs condensate behaves like a type II superconductor with Z-vortices penetrating the bubble. Also, for such high Higgs masses the minimum B_Y field required for a strong first order phase transition is large enough to render the W-field unstable towards forming a condensate which changes the simple picture of the symmetry breaking.     

Phase transition and random-field induced domain wall response of SrTi O 3

The dielectric permittivity ε^′ - i of SrTi ¹⁸O ₃ (STO18) is studied under a dc electric field E as a function of the temperature, T. In ε^′ vs. T, a double-peak is found when 0 < E < 30 KV/m. While the peak at high-T is attributed to the smeared ferroelectric phase transition, the low-T one is induced by domain wall motion. The transverse Ising model including an external homogeneous and quenched random-fields is successfully used to describe both the smeared phase transition and the domain wall response in the low-T domain state. The calculations are in good agreement with the experimental results. Received 4 January 2002 / Received in final form 25 March 2002 Published online 19 July 2002     

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.     

Quasi-2D and prewetting transitions of square-well fluids on a square-well substrate

Molecular simulation methodologies are employed to study the first-order transition of variable square-well (SW) fluids on a wide range of weak attractive surfaces. Surface phase diagram of SW fluids of attractive well diameter λ _ff = 1.5, 1.75, 2.0 on a smooth, structureless surface modelled by a SW potential is reported via grand-canonical transition-matrix Monte Carlo (GC-TMMC) and histogram reweighting techniques. Fluids with λ _ff = 1.5 and 1.75 show quasi-2D vapour–liquid phase transition; on the other hand, prewetting transition is visible for a SW fluid with larger well-extent λ _ff = 2.0. The prewetting line, its length, and closeness to the bulk saturation curve are found to depend strongly on the nature of the fluid–fluid and fluid–wall interaction potentials. Boundary tension of surface coexistence films is calculated by two methods. First, the finite size scaling approach of Binder is used to evaluate the boundary tension via GC-TMMC. Second, the results of the boundary tension are verified by virtue of its relation to the pressure tensor components, which are calculated using a NVT-Monte Carlo approach. The results from the two methods are in good agreement. Boundary tension is found to increase with the increase in the wall–fluid interaction range for the quasi-2D system; conversely, boundary tension for thin–thick film, at prewetting transition, decreases with the increase in the wall–fluid interaction range.     

A new class of exact hairy black hole solutions

We present a new class of black hole solutions with a minimally coupled scalar field in the presence of a negative cosmological constant. We consider an one-parameter family of self-interaction potentials parametrized by a dimensionless parameter g. When g = 0, we recover the conformally invariant solution of the Martinez–Troncoso–Zanelli (MTZ) black hole. A non-vanishing g signals the departure from conformal invariance. Thermodynamically, there is a critical temperature at vanishing black hole mass, where a higher-order phase transition occurs, as in the case of the MTZ black hole. Additionally, we obtain a branch of hairy solutions which undergo a first-order phase transition at a second critical temperature which depends on g and it is higher than the MTZ critical temperature. As g → 0, this second critical temperature diverges.     

Studies of local phase transition behavior for Co2+ in CsCaCl3 crystals from EPR data

In this paper, we establish the calculation formulas ofg factorsg _∥,g _⊥ and the hyperfine structure constantsA _∥,A _⊥ for 3d⁷ ions in tetragonal octahedral field from a cluster approach. In these formulas, besides the configuration interaction, the covalency effect due to the admixture between d electrons of 3d⁷ ion and the p electrons of ligands is considered. The parameters used in these formulas (except the core polarization constantsk in the calculation ofA _i) can be obtained from optical spectra of the studied crystal. From these formulas, the local release (or elongation) factork, which is introduced to characterize the release effect of impurity-ligand bond along C₄ axis at the cubic to tetragonal phase transition, is estimated for CsCaCl₃:Co²⁺ crystal by calculating the electronic paramagnetic resonance (EPR) parametersg _i andA _i . These EPR parameters are therefore explained reasonably and the results are discussed.     

零质量射流激励下诱发液体相变及其格子Boltzmann方法模拟

使用格子Boltzmann方法对零质量射流激励下液体的相变演化过程进行了数值模拟和分析.首先,提出了此特定零质量射流进出口边界的处理格式.然后,结合Shan和Doolen提出的单组分多相模型,模拟了方腔内液体受到此零质量射流激励而诱发产生空化的过程,着重分析了三个重要射流参数ε/T,T和v out/v in对方腔内液体相变的影响.分析表明:演化过程中方腔内气相节点数量在初始阶段急剧增长,然后经振荡趋于一个稳定值.由于ε/T和v out/v in可以反映射流在出入方腔两个过程间相互转换时的急剧变化,所以能够影响方腔中的液体相变的演化;而改变参数T并不影响射流速度的变化程度,所以T对液体相变的影响较弱.对于本文给定的参数取值,ε/T较小时,方腔内液体相变生成的孤立气泡脱离壁面;较大的ε/T下产生附着于方腔壁面的气泡,并且能够加速液体的相变进程;v out/v in的增加使方腔内相应的孤立气泡所覆盖的范围略有减小.研究结果揭示了零质量射流激励诱发的液体相变过程,为进一步探索液体空化的控制途径奠定了基础.     

Theoretical investigation of the optical spectra and g factors for Cu2+ in dioptase

The optical spectra of Cu²⁺ in dioptase are calculated using crystal-field theory. Good agreement between measured and calculated energy values is obtained under D _4h point-symmetry approximation. The electron paramagnetic resonance g factors, g _// and g _⊥, are also investigated from high-order perturbation formulae. The local structure of Cu²⁺ in dioptase is obtained using these formulae. Theoretical results are in perfect agreement with experimental findings.