多尺度复合材料力学研究进展

多尺度复合材料力学是运用多尺度分析思想研究空间分布非均匀材料力学性能的学科, 近年来,多 组分、多层级先进材料的蓬勃发展和微纳米实验观测手段的不断进步,有力地推动了该学科的研究,论文围绕非均 匀材料力学性能的多尺度分析,首先从微纳米尺度到宏观尺度综述了常用的理论分析方法;接着分别针对非均匀 连续介质和离散体系介绍了常用的多尺度计算模拟方法;然后结合本课题组在纳米复合材料、抗冲击吸能材料、随 机网络材料和多层级自相似材料等方面的研究工作,举例说明了如何综合运用多种方法对各种复杂材料系统进行 多尺度分析;最后,展望了该领域还需进一步发展和完善的若干方向。     

轻质点阵超结构设计及多功能力学性能调控方法

随着先进制造技术、多学科交叉和人工智能科技的飞速发展, 高端装备呈现出轻量化、集成化、复合化、功能化、智能化、柔性化和仿生化等发展趋势. 传统结构研究存在结构设计和制造相互分离, 复杂结构制造效率低、实际制造结构的性能指标和使用可靠性大幅低于设计理论预测、结构多功能一体化程度不足、经济成本过高等问题. 此外, 先进工业装备对材料、结构的使用性能、使用环境要求越来越高, 亟需开展结构的设计、制造、功能、应用一体化研究, 为解决我国先进制造“卡脖子”技术难题提供理论依据和技术支持. 轻量化多功能点阵超结构具有轻质高强、抗冲击吸能、减振降噪等性能优势, 在航空航天、交通运输、国防、生物医疗、能源、机械等工业领域具有巨大的应用潜力. 有鉴于此, 受多晶体微结构的多尺度力学设计启发, 以“点阵超结构力学设计”为主题, 开展点阵超结构的节点、杆件组元, 胞元类型、双相结构、梯度结构、多层级结构等典型点阵超结构的几何构筑和力学设计, 并阐明多晶体多尺度微观结构启发的点阵超结构力学设计基本原理、多功能力学性能调控方法, 以及点阵超结构在不同类型载荷下的结构变形和失效物理机理.      

COMPUTATIONAL FLUID DYNAMICS FOR DENSE GAS-SOLID FLUIDIZED BEDS: A MULTI-SCALE MODELING STRATEGY

Dense gas-particle flows are encountered in a variety of industrially important processes for large scale production of fuels, fertilizers and base chemicals. The scale-up of these processes is often problematic and is related to the intrinsic complexities of these flows which are unfortunately not yet fully understood despite significant efforts made in both academic and industrial research laboratories. In dense gas-particle flows both (effective) fluid-particle and (dissipative) particle-particle interactions need to be accounted for because these phenomena to a large extent govern the prevailing flow phenomena, i.e. the formation and evolution of heterogeneous structures. These structures have significant impact on the quality of the gas-solid contact and as a direct consequence thereof strongly affect the performance of the process. Due to the inherent complexity of dense gas-particles flows, we have adopted a multi-scale modeling approach in which both fluid-particle and particle-particle interactions can be properly accounted for. The idea is essentially that fundamental models, taking into account the relevant details of fluid-particle (lattice Boltzmann model) and particle-particle (discrete particle model) interactions, are used to develop closure laws to feed continuum models which can be used to compute the flow structures on a much larger (industrial) scale. Our multi-scale approach (see Fig. 1 ) involves the lattice Boltzmann model, the discrete particle model, the continuum model based on the kinetic theory of granular flow,and the discrete bubble model. In this paper we give an overview of the multi-scale modeling strategy, accompanied by illustrative computational results for bubble formation. In addition, areas which need substantial further attention will be highlighted.     

Particle methods for complex flows in chemical engineering — the pseudo-particle approach

The multi-scale structures of complex flows in chemical engineering have been great challenges to the design and scaling of such systems, and multi-scale modeling is the natural way in response. Particle methods (PMs) are ideal constituents and powerful tools of multi-scale models, owing to their physical fidelity and computational simplicity. Especially, pseudo-particle modeling (PPM, Ge & Li, 1996; Ge & Li, 2003) is most suitable for molecular scale flow prediction and exploration of the origin of multi-scale structures; macro-scale PPM (MaPPM, Ge & Li, 2001) and similar models are advantageous for meso-scale simulations of flows with complex and dynamic discontinuity, while the lattice Boltzmann model is more competent for homogeneous media in complex geometries; and meso-scale methods such as dissipative particle dynamics are unique tools for complex fluids of uncertain properties or flows with strong thermal fluctuations. All these methods are favorable for seamless interconnection of models for different scales.However, as PMs are not originally designed as either tools for complexity or constituents of multi-scale models, further improvements are expected. PPM is proposed for microscopic simulation of particle-fluid systems as a combination of molecular dynamics (MD) and direct simulation Monte-Carlo (DSMC). The collision dynamics in PPM is identical to that of hard-sphere MD, so that mass, momentum and energy are conserved to machine accuracy. However, the collision detection procedure, which is most time-consuming and difficult to be parallelized for hard-sphere MD, has been greatly simplified to a procedure identical to that of soft-sphere MD. Actually, the physical model behind such a treatment is essentially different from MD and is more similar to DSMC, but an intrinsic difference is that in DSMC the collisions follow designed statistical rules that are reflection of the real physical processes only in very limited cases such as dilute gas.PPM is ideal for exploring the mechanism of complex flows ab initio. In final analysis, the complexity of flow behavior is shaped by two components on the micro-scale: the relative displacements and interactions of the numerous molecules. Adding to the generality of the characteristics of complex system as described by Li and Kwauk (2003), we notice that complex structures or behaviors are most probably observed when these two components are competitive and hence they must compromise, as in the case of emulsions and the so-called soft-matter that includes most bio-systems. When either displacement or interaction is dominant, as in the case of dilute gas or solid crystals, respectively, complexity is much less spectacular. Most PMs consist explicitly of these two components, which is operator splitting in a numerical sense, but it is physically more meaningful and concise in PPM.The properties of the pseudo-particle fluid are in good conformance to typical simple gas (Ge et al., 2003; Ge et al., 2005). The ability of PPM to describe the dynamic transport process on the micro-scale in heterogeneous particle-fluid systems has been demonstrated in recent simulations (Ge et al., 2005). Especially, the method has been employed to study the temporal evolution of the stability criterion in the energy minimization multi-scale model (Li & Kwauk, 1994), which confirms its monotonously asymptotic decreasing as the model has assumed (Zhang et al., 2005). Massive parallel processing is also practiced for simulating particle-fluid systems in PPM, indicating an optimistic prospect to elevate the computational limitations on their wider applications, and exploring deeper underlying mechanism in complex particle-fluid systems.     

2D numerical simulation of passive autocatalytic recombiner for hydrogen mitigation

Resolving hydrogen related safety issues, pertaining to nuclear reactor safety has been an important area of research world over for the past decade. The studies on hydrogen transport behavior and development of hydrogen mitigation systems are still being pursued actively in various research labs, including Bhabha Atomic Research Centre (BARC), in India. The passive autocatalytic recombiner (PAR) is one of such hydrogen mitigating device consisting of catalyst surfaces arranged in an open-ended enclosure. In the plate type recombiner design sheets made of stainless steel and coated with platinum catalyst material are arranged in parallel inside a flow channel. The catalyst elements are exposed to a constant flow of a mixture of air, hydrogen and steam, a catalytic reaction occurs spontaneously at the catalyst surfaces and the heat of reaction produces natural convection flow through the enclosure. Numerical simulation and experiments are required for an in-depth knowledge of such plate type PAR. Specific finite volume based in-house 2D computational fluid dynamics (CFD) code has been developed to model and analyse the working of these recombiners and has been used to simulate one literature quoted experiment. The validation results were in good agreement against literature quoted German REKO experiments. Parametric study has been performed for particular recombiner geometry for various inlet conditions. Salient features of the simplified CFD model developed at BARC and results of the present model calculations are presented in this paper.     

Focusing on the meso-scales of multi-scale phenomena—In search for a new paradigm in chemical engineering

To celebrate the 90th birthday of Professor Mooson Kwauk, who supervised the multi-scale research at this Institute in the last three decades, we dedicate this paper outlining our thoughts on this subject accumulated from our previous studies. In the process of developing, improving and extending the energy- minimization multi-scale （EMMS） method, we have gradually recognized that meso-scales are critical to the understanding of the different kinds of multi-scale structures and systems. It is a common challenge not only for chemical engineering but also for almost all disciplines of science and engineering, due to its importance in bridging micro- and macro-behaviors and in displaying complexity and diversity. It is believed that there may exist a common law behind meso-scales of different problems, possibly even in different fields. Therefore, a breakthrough in the understanding of meso-scales will help materialize a revolutionary progress, with respect to modeling, computation and application.     

OpenSees 混合模拟试验技术发展与应用

将现代结构地震性能模拟与试验分为整体结构模拟试验和子结构模拟试验两类. 在此基础之上详细 讨论了混合模拟试验的基本概念背景及其应用与发展现状. 结合面相对象有限元程序OpenSees 的高层程序 架构和并行计算程序架构, 详细论述了基于OpenSees 的4 种混合模拟试验系统, 并简要介绍了多尺度一体化 混合建模的概念与应用. 证明基于商业或非商业有限元软件平台开展混合模拟试验是可行的; 混合模拟试验 所要处理的核心问题是如何将不同的有限元软件平台以及各个试验站点的设备联系起来, 并实现相互之间的 协同工作. 混合模拟试验在强震作用下结构连续倒塌问题的研究中具有一定的优势. 指出混合模拟试验这一 新技术的实质性发展离不开目前所强调的多学科之间的无缝融合.      

微/纳尺度接触问题计算方法研究进展

接触问题广泛存在于现实生活的众多领域,近来随着微/纳米技术的不断发展,接触力学在基础理论和研究方法上面临许多新的挑战.本文在摩擦学的范畴内,对近年发展的若干求解微/纳尺度接触问题的计算方法及理论进行了综述.按发展先后及所解决问题的尺度范围划分,主要有3类评估微/纳尺度接触性能的计算方法:(1)连续介质力学方法;(2)分子动力学模拟; (3)多尺度方法.介绍了这3类计算方法的典型理论和主要数学描述,给出了这些方法对解决若干微/纳观接触问题如黏着效应、粗糙表面描述、表面摩擦及润滑、表面热效应、生物接触等的主要应用.最后, 探讨了微/纳尺度接触问题计算方法可能的发展方向及应用领域.      

High resolution ultrastructure imaging of fractures in human dental tissues

Human dental hard tissues are dentine, cementum, and enamel. These are hydrated mineralised composite tissues with a hierarchical structure and versatile thermo-mechanical properties. The hierarchical structure of dentine and enamel was imaged by transmission electron microscopy (TEM) of samples prepared by focused ion beam (FIB) milling. High resolution TEM was carried out in the vicinity of a crack tip in dentine. An intricate “random weave” pattern of hydroxyapatile crystallites was observed and this provided a possible explanation for toughening of the mineralized dentine tissue at the nano-scale. The results reported here provide the basis for improved understanding of the relationship between the multi-scale nature and the mechanical properties of hierarchically structured biomaterials, and will also be useful for the development of better prosthetic and dental restorative materials.     

New Directions in Advanced Modeling and in Situ Measurements Near Reacting Surfaces

Multidimensional numerical modeling and in situ spatially-resolved measurements of gas-phase thermoscalars over the catalyst boundary layer have fostered fundamental investigation of the heterogeneous and homogeneous chemical reaction pathways and their coupling at realistic operating conditions. The methodology for validating catalytic and gas-phase reaction mechanisms is firstly outlined for industrially-relevant fuels. Combination of advanced modeling and in situ near-wall species and velocity measurements is then used to address the intricate interplay between interphase fluid transport (laminar or turbulent) and hetero-/homogeneous kinetics. Controlling parameters of this interplay are the homogeneous ignition chemistry, flame propagation characteristics, competition between the catalytic and gaseous pathways for fuel consumption, diffusional imbalance of the limiting reactant, flow laminarization due to heat transfer from the hot catalytic walls, and fuel leakage through the gaseous reaction zone. Dynamic reactor operation and intrinsic flame dynamics driven by interactions between homogeneous kinetics and catalytic walls are outlined using detailed transient simulation. It is shown that the presence of catalytic reactions moderates flame instabilities. Future directions for transient modeling and for temporally-resolved in situ near-wall measurements are finally summarized.     

Bridging reductionism and holism — multi-scale methodology with applications to particle-fluid systems

While science continues to extend to two extremes — micro-scale towards dimensions even smaller than elemental particles and mega-scale even beyond the universe, one recognizes that reductionism is not sufficient to solve many problems we encounter in engineering, which are likely characterized by nonlinearity, nonequilibrium and dissipative multi-scale structures. On the other hand, the common features of these nonlinear systems, such as bifurcation, state multiplicity and self-organization, have attracted much attention, leading to the approaches of the so-called complexity science which has become a focus not only in natural science and engineering science, but also in social science.However, no effective methodology has been established to understand these complex systems, though noticeable progress has been achieved in studying these systems, such as particle-fluid multi-phase systems. Multi-scale methodology has been considered as a promising methodology to tackle complex systems due to its capability in correlating phenomena at different scales. In this presentation, we shall review the development of the multi-scale methodology and its applications to particle-fluid systems, elucidating the essential relevance of complex systems and the challenging problems in chemical engineering.Multi-scale structure is considered to be the focus in studying complex systems, particularly, correlation between phenomena at different scales, compromise between different dominant mechanisms, coupling between spatial and temporal structural changes and critical phenomena occurring in these systems — these are the four critical issues in understanding complex systems. We first propose that by analyzing particle-fluid systems complex systems can be formulated as a multi-objective variational problem. Such an analytical multi-scale method will be reviewed in particular by analyzing the above four critical issues and by showing its 20-year development at IPE from a rough idea to modeling approaches, softwares and finally to industrial applications as well as its extension to different chemical and physical systems. The strategy of “from the particular to the general” in developing this multi-scale methodology is emphasized and challenges to mathematicians and physicists are identified to show the necessity of transdisciplinary cooperation. This presentation will be concluded by prospects and suggestions.     

CHARACTERISTIC DIMENSIONLESS NUMBERS IN MULTl-SCALE AND RATE-DEPENDENT PROCESSES

Multi-scale modeling of materials properties and chemical processes has drawn great attention from science and engineering. For these multi-scale and rate-dependent processes, how to characterize their trans-scale for-mulation is a key point. Three questions should be addressed:How do multi-sizes affect the problems?How are length scales coupled with time scales?How to identify emergence of new structure in process and its effect?For this sake, the macroscopic equations of mechanics and the kinetic equations of the microstructural transforma-tions should form a unified set that be solved simultaneously.As a case study of coupling length and time scales, the trans-scale formulation of wave-induced damage evolution due to mesoscopic nucleation and growth is discussed. In this problem, the trans-scaling could be reduced to two inde-pendent dimensionless numbers: the imposed Deborah number De=(ac)/(LV) and the intrinsic Deborah num-ber D = (nNc5)/V* ,where a. L, c, V and nN are wave speed, sample size, micr     

上随体流体驻点附近滑移流动的同伦解析解

从理论上研究了上随体Maxwell流体在滑移流区的动量传输问题.通过一系列相似变换把控制方程组转化为常微分方程组,利用同伦分析法首次求得了问题的近似解析解. 获得的同伦解析解与文献中的数值解吻合较好. 利用同伦解分析讨论了滑移参数、磁场强度、速度比例参数、吸入喷住参数和流体黏弹性参数对流动的影响.      

Temperature evolution on Rh/Al2O3 catalyst during partial oxidation of methane in a reverse flow reactor

Catalytic partial oxidation of methane was investigated in a reverse flow reactor with commercial Rh/Al₂O₃ catalyst in pellets. The process is carried out in a catalytic fixed bed reactor and switching of feed flow direction is obtained through four electrovalves synchronized in pairs. Temperature profile along the catalyst bed was measured by fast IR thermography and product composition was measured with a continuous gas analyzer.Feed direction switching time, water to methane ratio and inert section length were investigated as process parameters.Data of catalyst bed temperature evolution during the flow cycle are presented, discussed and related to reactor performance as a function of reverse flow switching period.The effect of water addition to the reacting mixture on the dynamics of catalyst bed temperature evolution is also presented.     

输气管道壁面涂料减阻机理的实验研究

用IFA-300热线风速仪以高于对应最小湍流时间尺度的分辨率精细测量了风洞中不同壁面涂料的管道湍流边界层不同法向位置流向速度分量的时间序列信号,利用湍流边界层近壁区域对数律平均速度剖面与壁面摩擦速度、流体黏性系数等内尺度物理量的关系和壁面摩擦速度与壁面摩擦切应力的关系,在准确测量湍流边界层近壁区域对数律平均速度剖面的基础上,间接测量湍流边界层的壁面摩擦阻力．对不同壁面涂料的壁湍流脉动速度信号用子波分析进行多尺度分解,用子波系数的瞬时强度因子和平坦因子检测管道湍流边界层中的多尺度相干结构,提取不同尺度相干结构的条件相位平均波形,对比研究输气管道壁面涂料的减阻机理．     

Gripless nanotension test for determination of nano-scale properties

This paper proposes a novel material testing method, gripless nanotension technique (GNT), to assess the basic mechanical properties of nano-scale structures in top-down processes. The GNT exhibits prominent advantages over conventional methods, i.e., use of a nanoindenter as a reliable and simple testing device, high-quality nano-scale metallic specimen with negligible residual stress, and tensile testing possible in the through-thickness direction. Using the proposed method, nano-scale polycrystalline specimens obtained from a nickel film were tested. Through the experiment, well-defined values of material properties with extraordinary phenomenal findings, i.e., strikingly reduced elastic modulus, yield strength and tensile strength of much higher values could be reliably observed and determined at the nano-scale.     

Multi-scale numerical simulation of fluidized beds: Model applicability assessment

In the past few decades, multi-scale numerical methods have been developed to model dense gas-solid flow in fluidized beds with different resolutions, accuracies, and efficiencies. However, ambiguity needs to be clarified in the multi-scale numerical simulation of fluidized beds: (i) the selection of the sub-models, parameters, and numerical resolution; (ii) the multivariate coupling of operating conditions, bed configurations, polydispersity, and additional forces. Accordingly, a state-of-the-art review is performed to assess the applicability of multi-scale numerical methods in predicting dense gas-solid flow in fluidized beds at specific fluidization regimes (e.g., bubbling fluidization region, fast fluidization regime), with a focus on the inter-particle collision models, inter-phase interaction models, collision parameters, and polydispersity effect. A mutual restriction exists between resolution and efficiency. Higher-resolution methods need more computational resources and thus are suitable for smaller-scale simulations to provide a database for closure development. Lower-resolution methods require fewer computational resources and thus underpin large-scale simulations to explore macro-scale phenomena. Model validations need to be further conducted under multiple flow conditions and comprehensive metrics (e.g., velocity profiles at different heights, bubbles, or cluster characteristics) for further improvement of the applicability of each numerical method.     

计算材料科学中桥域多尺度方法的若干进展

材料科学中存在固有的多尺度特性,桥域多尺度方法是在宏观尺度(如连续介质力学)中引入不同的细微观尺度的计算区域,乃至纳米尺度的分子动力学、量子力学计算区域,将不同尺度的研究方法通过一定的数学模型耦合在一起。该方法既能节约计算成本,又能保证所研究问题的物理特性。本文对多尺度方法的基本概念、跨尺度桥域多尺度方法的发展、基本原理、耦合方法和离散方程进行了讨论,给出了几个应用算例,并在最后进行了总结,展望了今后的可能发展方向。     

Development of Patterns for Digital Image Correlation Measurements at Reduced Length Scales

Methods for patterning metal thin films at the microscale and nanoscale by applying the patterns to metallic and polymeric materials for use in shape and deformation measurements in a scanning electron microsope (SEM) or other high magnification imaging system are described. In one approach, thin films of metallic materials (e.g., Au, Ag, Cu, and Cr) are applied to a variety of substrates. The coated samples are then placed into a reaction vessel, where the specimens are heated and exposed to a nitrogen atmosphere saturated with selected volatile chemicals. This process results in nano-scale remodeling of the metallic films, thereby affording high contrast random patterns with different morphologies. In a second approach, thin films of metallic materials, including gold and silver, also have been applied using a simplified UV photolithographic method requiring a minimum amount of laboratory preparation. Using selected substrates, both methods have been used successfully to transfer patterns onto polymeric and metallic materials ranging from 50–500 nanometers with chemical vapor rearrangement and 2 to 20 microns with UV photolithography, providing a pattern that can be used with digital image correlation to quantify both the surface profile and also surface deformations at reduced length scales.