Superheating and solid-liquid phase coexistence in nanoparticles with nonmelting surfaces

We present a phenomenological model of melting in nanoparticles with facets that are only partially wet by their liquid phase. We show that in this model, as the solid nanoparticle seeks to avoid coexistence with the liquid, the microcanonical melting temperature can exceed the bulk melting point and that the onset of coexistence is a first-order transition. We show that these results are consistent with molecular dynamics simulations of aluminum nanoparticles which remain solid above the bulk melting temperature.     

Mechanisms for liquid slip at solid surfaces

One of the oldest unresolved problems in fluid mechanics is the nature of liquid flow along solid surfaces. It is traditionally assumed that across the liquid-solid interface, liquid and solid speeds exactly match. However, recent observations document that on the molecular scale, liquids can slip relative to solids. We formulate a model in which the liquid dynamics are described by a stochastic differential-difference equation, related to the Frenkel-Kontorova equation. The model, in agreement with molecular dynamics simulations, reveals that slip occurs via two mechanisms: localized defect propagation and concurrent slip of large domains. Well-defined transitions occur between the two mechanisms.     

Comportement thermique d'un matériau de référence poreux soumis à des atmosphères de chauffe différentes

This study presents an analysis of the temperature evolution in a porous sample. Various situations have been examined: the porous solid is initially dry or water saturated, and the heating fluid is dry air or steam. This analysis showed experimentally the optimal phases of using steam to heat a material. Moreover, as humidity in the solid considerably modifies the heating kinetics, the study has also been carried out on a non-porous solid. The treatment of the temperature curves under an adimensionnal form shows a singular behaviour of those temperatures following the heating fluid nature and its temperature. Equations giving temperature versus time have been proposed. They are based on the definition of a time lag and a time constant, both being defined as a function of the single fluid temperature parameter. Finally, in the particular case of the non-porous solid heated by dry air, with additional approximations, it has been possible to check that the experimental time constant is very close to a fundamental time constant.     

Hydrodynamic theory of forced dewetting

A prototypical problem in the study of wetting phenomena is that of a solid plunging into or being withdrawn from a liquid bath. In the latter, dewetting case, a critical speed exists above which a three-phase contact line is no longer sustainable and the solid can no longer remain dry. Instead, a liquid film is being deposited on the solid. Demonstrating this transition from a dry to a wetted solid to be of hydrodynamic origin, we provide the first theoretical explanation of a classical prediction due to Derjaguin and Levi: instability occurs when the outer, static meniscus approaches the shape corresponding to a perfectly wetting fluid. Our analysis investigates the conditions under which the highly curved contact line region can be matched to the static profile far away from it.     

尺寸效应对微通道内固液界面温度边界的影响

采用非平衡分子动力学方法模拟不同浸润性微通道内液体的传热过程,分析了尺寸效应对固液界面热阻及温度阶跃的影响.研究结果表明,界面热阻随微通道尺寸的变化可分为两个阶段,即小尺寸微通道的单调递增阶段和大尺寸微通道的恒定值阶段.随着微通道尺寸的增加,近壁区液体原子受对侧固体原子的约束程度降低,微通道中央的液体原子自由移动,固液原子振动态密度近似不变,使得尺寸效应的影响忽略不计.上述两种阶段的微通道尺寸过渡阈值受固液作用强度与壁面温度的共同作用:减弱壁面浸润性,过渡阈值向大尺寸区域迁移;相较于低温壁面,高温壁面处的过渡阈值更大.增加微通道尺寸,固液界面温度阶跃呈单调递减趋势,致使壁面温度边界和宏观尺度下逐渐符合.探讨尺寸效应有助于深刻理解固液界面能量输运及传递机制.     

A continuum model for the flow of thin liquid films over intermittently chemically patterned surfaces

It is known from both experiments and molecular dynamics simulations that chemically patterning a solid surface has an effect on the flow of an adjacent liquid. This fact is in stark contrast with predictions of classical fluid mechanics where the no-slip boundary condition is insensitive to the chemistry of the solid substrate. It has been shown that the influence on the flow caused by a steep change in the wettability of the solid substrate can be described in the framework of continuum mechanics using the interface formation theory. The present work extends this study to the case of intermittent patterning. Results show that variations in wettability of the substrate can significantly affect the flow, especially of thin films, which may have applications to the design of microfluidic devices.     

基于边界元法的近平板圆孔气泡动力学行为研究

研究了带有圆孔的平板附近气泡动力学特性. 基于不可压缩势流理论, 建立了平板圆形破口附近气泡运动数值模型, 并针对气泡初始位置距离破口很近而导致计算结果发散的数值缺陷, 采用气泡壁和壁面融合的方法, 将流场分离为两个半无限域问题进行求解, 实现了在不同无量纲参数范围内的数值模拟, 数值结果与实验结果符合良好. 通过对圆孔附近气泡运动特性的研究发现, 圆孔对气泡的影响基本与壁面相反, 在膨胀阶段对气泡产生腔吸作用, 收缩阶段产生排斥, 在特定的工况下会产生对射流现象. 最后分析了气泡壁与壁面融合, 流场分离后的气泡动态特性以及各工况参数对其影响规律. 关键词： 气泡 边界元 射流 圆孔     

Numerical investigation of shock-induced bubble collapse dynamics and fluid–solid interactions during shock-wave lithotripsy

In this paper we investigate the bubble collapse dynamics under shock-induced loading near soft and rigid bio-materials, during shock wave lithotripsy. A novel numerical framework was developed, that employs a Diffuse Interface Method (DIM) accounting for the interaction across fluid–solid-gas interfaces. For the resolution of the extended variety of length scales, due to the dynamic and fine interfacial structures, an Adaptive Mesh Refinement (AMR) framework for unstructured grids was incorporated. This multi-material multi-scale approach aims to reduce the numerical diffusion and preserve sharp interfaces. The presented numerical framework is validated for cases of bubble dynamics, under high and low ambient pressure ratios, shock-induced collapses, and wave transmission problems across a fluid–solid interface, against theoretical and numerical results. Three different configurations of shock-induced collapse applications near a kidney stone and soft tissue have been simulated for different stand-off distances and bubble attachment configurations. The obtained results reveal the detailed collapse dynamics, jet formation, solid deformation, rebound, primary and secondary shock wave emissions, and secondary collapse that govern the near-solid collapse and penetration mechanisms. Significant correlations of the problem configuration to the overall collapse mechanisms were found, stemming from the contact angle/attachment of the bubble and from the properties of solid material. In general, bubbles with their center closer to the kidney stone surface produce more violent collapses. For the soft tissue, the bubble movement prior to the collapse is of great importance as new structures can emerge which can trap the liquid jet into induced crevices. Finally, the tissue penetration is examined for these cases and a novel tension-driven tissue injury mechanism is elucidated, emanating from the complex interaction of the bubble/tissue interaction during the secondary collapse phase of an entrapped bubble in an induced crevice with the liquid jet.     

Tunable Visible Cloaking Using Liquid Diffusion

A method is introduced for the design of invisibility cloaks inspired by fluid dynamics that is different from traditional transformation optics. The inhomogeneous refractive index of the liquid cloak controlled by the natural liquid diffusion is analogous to its counterpart designed by transformation optics. Here, a tunable liquid visible cloak is experimentally presented by the natural diffusion of miscible flows. This method avoids the use of complex nanostructures in its solid counterpart, and provides a simple and low‐cost approach. This implies that optofluidics can be used as a technology to make real‐time reconfigurable transformation optic devices.     

接触角与液固界面热阻关系的分子动力学模拟

本文利用分子动力学方法模拟了液体在固体表面的 接触角及液固界面热阻, 并探讨了二者之间的关系. 通过分别改变液固结合强度和固体的原子性质来分析接触角和界面热阻的关系及变化趋势. 模拟结果显示增强液固间相互作用时, 接触角减小的同时界面热阻也随之单调减小; 而改变固体原子间结合强度和原子质量时, 接触角几乎保持不变, 但界面热阻显著改变. 固体原子间结合强度和原子质量影响界面热阻的原因是其改变了固体的振动频率分布, 导致液固原子间的振动耦合程度发生变化. 本文的结果表明界面热阻不仅与由接触角所表征的液固结合强度有关, 还与液固原子间的振动耦合程度有关. 接触角与界面热阻间不存在单值的对应关系, 不能单一地将接触角作为液固界面热阻的评价标准. 关键词： 液固界面 接触角 界面热阻 分子动力学模拟     

Partially wetting thin liquid films: structure and dynamics studied with coherent x rays

We studied the surface structure of thin liquid films vapor deposited on solid substrates in a partial wetting situation by means of coherent x-ray scattering. No dynamics has been observed showing the absence of capillary waves on liquid films partially wetting a substrate. Instead an exponential form of the height-height correlation function has been found pointing toward a solidlike behavior of the thin liquid films at large length scales. The exact surface structure and degree of replication with the substrate depend on the deposition rate of the molecules.     

Thermodynamic properties of gold–water nanolayer mixtures using molecular dynamics

The physical behavior of a fluid in contact with solid layers is still not fully understood. The present work focuses on the study and understanding of thermodynamic and structural properties of gold–water nanolayer mixtures using molecular dynamics simulations. Two different systems are considered, where approximately 1,700 water molecules are confined between gold nanolayers with separations of 7.4 and 6.2 nm, respectively. Novelties of the present work are in the use of accurate force fields for modeling the inter- and intra-molecular interactions of the components, and providing comprehensive thermodynamic properties of the mixtures. The results are validated by examination of the pure fluid and pure solid properties. Results indicate that the thermodynamics of the system does not behave as an ideal mixture. The structure of the pure fluid is also analyzed and compared against the structure of the confined fluid in the mixture. Anisotropicity is observed in the fluid structure close to the surface of the nanolayer. Higher ordering and higher flux are detected in the fluid molecules close to the fluid–solid interface. Unusual thermodynamic behavior, anisotropicity, liquid layering, and higher interfacial fluid flux could be just some of the factors leading to the enhanced energy transport observed in mixtures involving at least one nanoscale component, such as nanofluids.     

Dynamics of dewetting at the nanoscale

We use large-scale molecular dynamics simulations to model the dewetting of solid surfaces by partially wetting thin liquid films. As observed experimentally and in previous simulations, the films recede at an initially constant speed, creating a growing rim of liquid with a constant receding dynamic contact angle. Film recession is faster on the more poorly wetted surface to an extent that cannot be explained solely by the increase in the surface tension driving force. Furthermore, the rates of recession of the thinnest films are found to increase with decreasing film thickness. These results suggest not only that the mobility of the liquid molecules adjacent to the solid increases with decreasing solid-liquid interactions, but also that the mobility adjacent to the free surface of the film is higher than in the bulk, so that the average viscosity of the film decreases with thickness. Recent simulations of films with a wide range of solid-liquid interactions lend support to this view.     

Wetting by solid helium,a model system

This is a review of the wetting properties of solid helium on various solid substrates. Due to its extreme purity and to its very fast growth dynamics, solid helium 4 is often considered as a model system in materials science. Several wetting phenomena have been studied with helium 4 crystals, namely contact angles on solid substrates with variable roughness, wetting on graphite where epitaxial growth takes place, the roughening transition as a function of film thickness, the wetting of grain boundaries by the liquid phase.     

Molecular dynamics study of thermal diffusion in a binary mixture of alkanes trapped in a slit pore

We have used direct non-equilibrium molecular dynamics computer simulations to study the influence of an aluminosilicate slit pore on thermal diffusion in equimolar methane- n -decane. We have computed the Soret coefficient S T as a function of the pore width. The S T values deviate from those in a pore-free situation only for pores narrower than 35 Å. We have then investigated the possible causes for this deviation. We have noticed that the solid behaves as a thermal short circuit for the liquid but this has no consequence on the thermal and solutal profiles in the mixture. The main influence of the confinement of the liquid lies in the 'freezing' of the layer of molecules in contact with the pore walls. Outside this layer, the thermal diffusive behaviour of the mixture does not depart from that in the bulk fluid. This finding has enabled us to compute a 'corrected' Soret coefficient where the influence of the porous medium is eliminated.     

Accurate method for including solid–fluid boundary interactions in mesoscopic model fluids

Particle models are attractive methods for simulating the dynamics of complex mesoscopic fluids. Many practical applications of this methodology involve flow through a solid geometry. As the system is modeled using particles whose positions move continuously in space, one might expect that implementing the correct stick boundary condition exactly at the solid–fluid interface is straightforward. After all, unlike discrete methods there is no mapping onto a grid to contend with. In this article we describe a method that, for axisymmetric flows, imposes both the no-slip condition and continuity of stress at the interface. We show that the new method then accurately reproduces correct hydrodynamic behavior right up to the location of the interface. As such, computed flow profiles are correct even using a relatively small number of particles to model the fluid.     

3D Large scale Marangoni convection in liquid films

We study large scale surface deformations of a liquid film unstable due to the Marangoni effect caused by external heating on a smooth and solid substrate. The work is based on the thin film equation which can be derived from the basic hydrodynamic equations. To prevent rupture, a repelling disjoining pressure is included which accounts for the stabilization of a thin precursor film and so prevents the occurrence of completely dry regions. Linear stability analysis, nonlinear stationary solutions, as well as three-dimensional time dependent numerical solutions for horizontal and inclined substrates reveal a rich scenario of possible structures for several realistic fluid parameters.     

Identification du coefficient de transfert thermique sur la surface externe d'un échangeur de chaleur à tubes et ailettes planes en fonction de l'humidité de l'air,en l'absence de condensation

The following study, which is rather oriented towards experimentation, shows the influence of the humidity content of air on heat transfer. This first article concerns heat transfer between the external fluid (moist air) and the internal fluid (water containing glycol, whose thermal behavior inside circular tubes is well-known) in a heat exchanger of the same type as those used in automotive air conditioning (horizontal copper tubes and plane aluminium fins), in the absence of condensation. The most difficult part of this experimental work is the measurement and control of the air humidity, since one has to make sure that the measurement incertainties are not significant compared to the precision of the calculation of the heat transfer coefficient. The conclusion is that, for this type of exchanger, the heat transfer coefficient decreases with air humidity in the absence of condensation (dry wall). Some correlations have been developed with respect to the relative air humidity. An analog experimental investigation, but this time carried out in the presence of condensation (partially or completely wetted wall), is about to be completed; the obtained results will be communicated later on.     

Wetting Properties of Grain Boundaries in Solid 4He

We have observed boundaries between hcp 4He crystal grains in equilibrium with liquid 4He. We have found that, when emerging at the liquid-solid interface, a grain boundary makes a groove whose dihedral angle 2theta is nonzero. This measurement shows that grain boundaries are not completely wet by the liquid phase, in agreement with recent Monte Carlo simulations. Depending on the value of theta, the contact line of a grain boundary with a solid wall may be wet by the liquid. In this case, the line is a thin channel with a curved triangular cross section, whose measured width agrees with predictions from a simple model. We discuss these measurements in the context of grain boundary premelting and for a future understanding of the possible supersolidity of solid 4He.     

Flow Dynamic Characterization of Cylindrical Particles

A detailed experimental characterization of the flow dynamics of a closely sized sample of cylindrical particles is reported here. Issues relevant to the design of reacting and nonreacting fluid‐solid contacting devices, e.g., pressure drop behavior, fluidization behavior and settling behavior, both in Stokes law as well as the intermediate region, were investigated. The common approach of extending correlations meant for predicting the fluid dynamic parameters of spherical particles to nonspherical particles, with the help of the sphericity shape factor, such that particle diameter is the product of the equivalent volume diameter and the sphericity of the nonspherical particle, was examined here. Notwithstanding the simplicity of this approach, caution must be exercised as far as fluid dynamic parameters thus obtained are concerned. Significant error was observed here in all cases. However, improved predictions were obtained using available correlations whose parameters were optimized using a database of nonspherical particles.