A micromechanical model for effective conductivity in granular electrode structures

Optimization of composition and microstructure is important to enhance performance of solid oxide fuel cells （SOFC） and lithium-ion batteries （LIB）. For this, the porous electrode structures of both SOFC and LIB are modeled as a binary mixture of electronic and ionic conducting particles to estimate effective transport properties. Particle packings of 10000 spherical, binary sized and randomly positioned particles are created numerically and densified considering the different manufacturing processes in SOFC and LIB： the sintering of SOFC electrodes is approximated geometrically, whereas the calendering process and volume change due to intercalation in LIB are modeled physically by a discrete el- ement approach. A combination of a tracking algorithm and a resistor network approach is developed to predict the con- nectivity and effective conductivity for the various densified structures. For SOFC, a systematic study of the influence of morphology on connectivity and conductivity is performed on a large number of assemblies with different compositions and particle size ratios between 1 and 10. In comparison to percolation theory, an enlarged percolation area is found, es- pecially for large size ratios. It is shown that in contrast to former studies the percolation threshold correlates to varying coordination numbers. The effective conductivity shows not only an increase with volume fraction as expected but also with size ratio. For LIB, a general increase of conductivity during the intercalation process was observed in correlation with increasing contact forces. The positive influence of cal- endering on the percolation threshold and the effective conductivity of carbon black is shown. The anisotropy caused by the calendering process does not influence the carbon black phase.     

THEORETICAL MODEL OF EFFECTIVE STRESS COEFFICIENT FOR ROCK/SOIL-LIKE POROUS MATERIALS

Physical mechanisms and influencing factors on the effective stress coefficient for rock/soil-like porous materials are investigated, based on which equivalent connectivity index is proposed. The equivalent connectivity index, relying on the meso-scale structure of porous material and the property of liquid, denotes the connectivity of pores in Representative Element Area （REA）. If the conductivity of the porous material is anisotropic, the equivalent connectivity index is a second order tensor. Based on the basic theories of continuous mechanics and tensor analysis, relationship between area porosity and volumetric porosity of porous materials is deduced. Then a generalized expression, describing the relation between effective stress coefficient tensor and equivalent connectivity tensor of pores, is proposed, and the expression can be applied to isotropic media and also to anisotropic materials. Furthermore, evolution of porosity and equivalent connectivity index of the pore are studied in the strain space, and the method to determine the corresponding functions in expressions above is proposed using genetic algorithm and genetic programming. Two applications show that the results obtained by the method in this paper perfectly agree with the test data. This paper provides an important theoretical support to the coupled hydro-mechanical research.     

Field Scale Characterization of Geological Formations Using Percolation Theory

The connectivity of high conductivity pathways in geological formations depend on the spatial distribution of geological heterogeneities that may appear on various length scales. Appropriate modeling of this is crucial within in hydrology and petroleum systems. The approach taken in this study is to use percolation theory to quantify the connectivity, hydraulic conductivity, and breakthrough time behavior between an injector and a producer within such systems. In particular, a three-dimensional overlapping sandbody model is considered which assumes that the geological formation can be split into either conductive flow units (i.e., good sands) or non-conductive units (i.e., poor sands). The results are the master curves for the formation connectivity as well as the hydraulic conductivity and breakthrough time. The percolation approach is then validated against Burgan offshore reservoir dataset which reveal good matches when compared with the results obtained from computationally expensive conventional methods.     

Simulation of the dynamic (frequency-dependent) permeability and electrical conductivity in porous materials based on the concept of an ensemble of pores

The class of models of porous media based on the concept of an ensemble of pores with a certain distribution of the main geometrical parameters (e.g., pore size) is studied. The case of the saturation of the pore space with a single-phase multicomponent fluid mixture is studied with and without taking into account the transfer of electric charges. Transfer laws are derived from the condition of decreasing free energy. The hydrodynamic connectivity of pores (and electrical conductivity) is described by two kernels: one kernel describes the connectivity of pores in space, and the other describes the connectivity of pores in the elementary macrovolume. The frequency dependences of the dynamic permeability determined in laboratory experiments and the electrical conductivity of the porous medium were determined using the concept of an ensemble of pores. The relationship between the models considered and relaxation filtration models is established.     

Effective Thermal Conductivity of Liquid-Saturated Coatings and Their Liquid Vaporisation Behaviour

The effective thermal conductivity is an important element in understanding the thermal response to heating of a paper coating, e.g. during drying in heatset web-offset, and thus it not only affects the drying efficiency but also affects print quality detriments like web fluting. This study examines both the effective thermal conductivity of liquid-saturated ground calcium carbonate coating structures as well as the vaporisation behaviour from these structures. The liquids used for saturation were mineral oil and water in order to resemble ink and fountain solution, respectively, both of which are present in the traditional heatset web-offset process. The effective thermal conductivities of liquid-saturated coating structures are discussed in regard to the corresponding unsaturated systems by using a Lumped Parameter Model. It is shown that the liquid saturation has a dominant effect in determining the effective thermal conductivity. Since this effect is not fully captured by the model, other mechanisms like an apparent pigment–pigment connectivity increase by liquid bridging and the role of liquid in changing the contact resistance during the measurement of thermal conductivity are discussed. In addition, the transformation of three-dimensional structures to an equivalent two-dimensional modelling is evaluated. The vaporisation behaviour of mineral oil and water is studied by a thermogravimetric analysis. By following the changes in maximum evaporation temperatures and evaporation rates, the addition of binder is seen to lead to a reduction in the vaporisation rate of both liquids. Since there is little to no interaction between the liquids and the binder, the confinement caused by the geometry change induced by binder addition is identified as the mechanism resulting in elevated vapour pressure within the structure.     

A new stochastic method of reconstructing porous media

We present a new stochastic method of reconstructing porous medium from limited morphological information obtained from two-dimensional micro- images of real porous medium. The method is similar to simulated annealing method in the capability of reconstructing both isotropic and anisotropic structures of multi-phase but differs from the latter in that voxels for exchange are not selected completely randomly as their neighborhood will also be checked and this new method is much simpler to implement and program. We applied it to reconstruct real sandstone utilizing morphological information contained in porosity, two-point probability function and linear-path function. Good agreement of those references verifies our developed method’s powerful capability. The existing isolated regions of both pore phase and matrix phase do quite minor harm to their good connectivity. The lattice Boltzmann method (LBM) is used to compute the permeability of the reconstructed system and the results show its good isotropy and conductivity. However, due to the disadvantage of this method that the connectivity of the reconstructed system’s pore space will decrease when porosity becomes small, we suggest the porosity of the system to be reconstructed be no less than 0.2 to ensure its connectivity and conductivity.     

复杂脑网络研究进展

复杂网络的研究方法是近年来对生物网络、社会网络及技术网络等真实网络进行研究的新兴方法.利用这一方法,可以从大脑皮层结构性网络、功能性网络以及效率性网络等不同角度着手对大脑的功能性分割和功能性整合两个主要功能进行研究,并进一步讨论其生长和发展演化,以期揭示支配大脑运作的规律.      

Experimental Investigation on Transport Properties of Cement-Based Materials Incorporating 2D Crack Networks

This paper investigates the correlation between the geometry of crack networks and the altered transport properties of cement-based porous materials. Cracks were artificially introduced into slice specimens to obtain bidimensional (2D) crack networks, and the network was characterized by the crack density, orientation, connectivity and crack opening aperture. For the permeability, the water vapor sorption isotherms were measured and an algorithm was established to solve the intrinsic permeability of cracked specimens with the help of moisture transport modeling and the data of drying tests. The electrical conductivity of cracked specimens was measured using an alternative current method. The study on the specimens with percolated cracks shows that: (1) the pertinent geometry parameters for altered transport properties include average-based crack density, crack opening and local crack connectivity; (2) the water permeability of cracked specimens is correlated to the combination \(b^{1.7}\rho f\) and electrical conductivity to \(b^{0.45}\rho f\); (3) the different exponents on the crack opening/length ratio reflect the resistance of tortuosity of crack paths to the water and current flow and this resistance is stronger for current flow.     

Effective conductivity in isotropic heterogeneous media using a strong-contrast statistical continuum theory

The strong-contrast formulation is used to predict the effective conductivity of a porous material. The distribution, shape and orientation of the two phases are taken into account using two- and three-point probability distribution functions. A new approximation for the three-point probability function appropriate for two-phase media is proposed and discussed. Computed results for the effective conductivity using the strong-contrast formulation are compared to the Voigt and the Hashin-Shtrikman upper-bound estimates. These results show that the predicted effective conductivity is lower than both Voigt and Hashin-Shtrikman bounds. Compared to previous results using the weak-contrast formulation, the strong-contrast formulation seems to provide a better estimate for the effect of the microstructure on the conductivity.     

Size- and shape-dependent effective conductivity of porous media with spheroidal gas-filled inclusions

Porous media containing gas-filled inclusions embedded in a solid phase constitute an important class of natural or artificial materials of both theoretical and practical interest. In these materials, thermal conductivity is one of the most important properties. In a variety of situations of practical interest, when the characteristic size of gas-filled inclusions is comparable with the mean free path of gas molecules and when the slip flow regime is considered, the behavior of gas near solid surfaces cannot be described by classical thermal conductivity equations. In fact, the boundary conditions at the solid surfaces must be modified by considering that the temperature and normal heat flux simultaneously suffer a discontinuity. The first purpose of the present work is to develop an efficient and accurate micromechanical model capable of estimating the effective conductivity of porous materials while taking into account the discontinuities of the temperature and normal heat flux across solid surfaces and the non-spherical form of gas-filled inclusions. The second purpose of the present work is to study the dependencies of the effective conductivity on the size and shape of gas-filled inclusions. By applying the micromechanical model based on the differential scheme and by using the solution results obtained for auxiliary dilute problem accounting for modified boundary conditions on surface solids, the closed-form expression for the effective conductivity is obtained. Numerical results are provided to illustrate the dependence of the effective conductivity on the size and shape of gas-filled inclusions in the case of randomly oriented inclusions.     

Predicting thermal conductivity of liquid suspensions of nanoparticles (nanofluids) based on rheology

A methodology is proposed for predicting the effective thermal conductivity of dilute suspensions of nanoparticles (nanofluids) based on rheology.The methodology uses the rheological data to infer microstructures of nanoparticles quantitatively,which is then incorporated into the conventional Hamilton-Crosser equation to predict the effective thermal conductivity of nanofluids.The methodology is experimentally validated using four types of nanofluids made of titania nanoparticles and titanate nanotubes dispersed in water and ethylene glycol.And the modified Hamilton-Crosser equation successfully predicted the effective thermal conductivity of the nanofluids.     

Measurement of the effective thermal conductivity of a Mg–MgH2 packed bed with oscillating heating

The magnesium–magnesium hydride–hydrogen-system (Mg–MgH₂–H₂) offers, because of its combined hydrogen and heat storage capacity, the possibility to design hydride heat pumps and heat stores. For such industrial application systems based on cylindrically formed reactors filled with an active magnesium powder, the effective thermal conductivity limits the time in which the metal hydride alloy is charged and discharged with hydrogen. Determination of this transport coefficient is of fundamental importance for the optimum design of magnesium hydride reactors. The complex interrelation of the different transport mechanisms in a metal hydride packed bed and the hitherto undefined rule that the solid effective thermal conductivity behaves as a function of the hydrogen concentration, requires a reliable and simple-to-realize measuring method so as to determine the effective thermal conductivity of a magnesium hydride bed. In the present study, a report is given for the first time on the initiation of a measuring technique with oscillating change of temperature in a non-permeated packed bed of fine-grained material. The measurement of the effective thermal conductivity can ensue by tailoring the problem-specific mathematical result to the experimentally recorded temperature-time function. The effective thermal conductivity of the magnesium hydride bed varies between 2 and 8 W/(m K) in a temperature range of 523–653 K.     

Predicting thermal conductivity of liquid suspensions of nanoparticles （nanofluids） based on rheology

A methodology is proposed for predicting the effective thermal conductivity of dilute suspensions of nanoparticles （nanofluids） based on rheology. The methodology uses the rheological data to infer microstructures of nanoparticles quantitatively, which is then incorporated into the conventional Hamilton-Crosser equation to predict the effective thermal conductivity of nanofluids. The methodology is experimentally validated using four types of nanofluids made of titania nanoparticles and titanate nanotubes dispersed in water and ethylene glycol. And the modified Hamilton-Zrosser equation successfully predicted the effective thermal conductivity of the nanofluids.     

Fluid Flow Through Single Fractures With Directional Shear Dislocations

This paper numerically investigates the fluid flow behavior through single fractures with directional shear dislocations. Synthetic fractures are generated with directional shear dislocations, and the lattice Boltzmann method is used to simulate the fracture flow. With an ignorance of tortuosity effect, a notable overestimation of hydraulic conductivity is observed when the simplified local cubic law is used. During the closure process, the decreasing rate of conductivity is found to be highly related to the roughness of fractures. The conductivity of smoother fractures decreases faster than that of rougher fractures. By conducting simulations on fractures with a constant shear displacement, the effective conductivity is found to vary with the shear directions. The results show that the conductivity of rougher fractures is less sensitive to the shear directions than that of smoother fractures. As fracture surfaces come into contact, a sharp decrease in effective conductivity is observed and the decreasing trend flattens as the contact ratio continues to increase. A new model is proposed based on the bottleneck model to predict the conductivity of sheared fractures. By integrating the tortuosity and channeling effects into the original model, the proposed new model shows a better performance in predicting the conductivity, especially for fractures with rougher surfaces.     

面向增材制造的应力最小化连通性拓扑优化

增材制造与拓扑优化的有机结合将极大促进高性能产品的研发,但现有基于拓扑优化的设计性能和可制造性研究多是独立开展,或常局限于传统的刚度问题,缺乏对工程中至关重要的强度问题的考虑.面向增材制造,针对协同考虑强度和可制造连通性的结构优化问题,建立了材料体积和连通性标量场约束下的结构应力最小化拓扑优化模型.针对求解过程中的不同...     

Stochastic analysis of groundwater flow in a bounded domain by spectral methods

A saturated flow problem with spatially varying conductivity is studied in a rectangular domain. An expansion of the flow equation with respect to small perturbations of the conductivity is given. Discrete spectra are used to calculate the expected flux across the outflow boundary and its variability. The results obtained are compared with results based on Monte Carlo studies. Another way to deal with heterogeneous soils is to replace the actual conductivity by a smooth, so-called, effective conductivity. A comparison is made between results based on that approach and our results.     

多相材料传热微结构的多目标优化设计

提出基于散热弱度的材料微结构热传导性能的预测方法,分别从理论和数值上验证该方法与均匀化方法的等效性;推导出微结构等效热传导系数的灵敏度计算格式,建立传热微结构拓扑优化的数学模型.以二维、三维多相材料等效热传导系数的加权组合为目标,采用凸规划对偶优化算法和二次型周长约束进行材料微结构的设计和材料分布的棋盘格控制.数值算例表明基于散热弱度的传热材料微结构设计是可行、有效的,可以为实际的材料设计提供依据.     

Effective Thermal Conductivity Modelling for Closed-Cell Porous Media with Analytical Shape Factors

This paper presents a fully analytical model for the effective thermal conductivity of two-phase porous media with two-/three-dimensional closed cells, applicable to honeycombs and closed-cell foams. The present model combines an existing analytical expression derived based on the Laplace heat conduction equation with an analytical shape factor which corrects the deviation caused from a non-circular (or non-spherical) pore inclusion. Results demonstrate the validity of the present model capable of analytically estimating the effective thermal conductivity of closed-cell porous media. The simple yet accurate model provides the physical mechanisms of how effective thermal conductivity depends upon the shape of pores.     

A THEORY OF EFFECTIVE THERMAL CONDUCTIVITY FOR MATRIX-INCLUSION- MICROCRACK THREE-PHASE HETEROGENEOUS MATERIALS BASED ON MICROMECHANICS

The effective thermal conductivity of matrix-inclusion-microcrack three-phase heterogeneous materials is investigated with a self-consistent micromechanical method (SCM) and a random microstructure finite element method(RMFEM). In the SCM, microcracks are assumed to be randomly distributed and penny-shaped and inclusions to be spherical, the crack effect is accounted for by introducing a crack density parameter, the effective thermal conductivity is derived which relates the macroscopic behavior to the crack density parameter. In the RMFEM, the highly irregular microstructure of the heterogeneous media is accurately described, the interaction among the matrix-inclusion-microcracks is exactly treated, the inclusion shape effect and crack size effect are considered. A Ni/ZrO₂ particulate composite material containing randomly distributed, penny-shaped cracks is examined as an example. The main results obtained are: (1) the effective thermal conductivity is sensitive to the crack density and exhibits essentially a linear relationship with the density parameter; (2) the inclusion shape has a significant effect on the effective thermal conductivity and a polygon-shaped inclusion is more effective in increasing or decreasing the effective thermal conductivity than a sphere-shaped one; and (3) the SCM and RMFEM are compared and the two methods give the same effective property in the case in which the matrix thermal conductivity λ₁ is greater than the inclusion one λ₂. In the inverse case of λ₁ < λ₂, the two methods agree as the inclusion volume fraction and crack density are low and differ as they are high. A reasonable explanation for the agreement and deviation between the two methods in the case of λ₁ < λ₂ is made. This work was supported by the National Natural Science Foundation of China and Chnese “863” High-Tech, Program.     

Influence of Nonlinear Local Properties on Effective Transport

The assumption of constant local coefficients is one of the first restrictions in most of the smoothing theories for transport in porous media. In this paper we present a formal analysis of the effects produced by nonconstant local transport coefficients on the nonlinear behavior of the effective transport properties. In particular, we use the volume averaging method to study heat transport in a two-component system considering the local thermal conductivities as analytical functions of the temperature. Within this approach we obtain a general expression for the effective nonlinear thermal conductivity dependence on the averaged temperature gradient. The important result is that the effective conductivity is obtained by a linearly bounded problem (the closure problem), just as if the conductivities were constants, by replacing the constant conductivities by the actual temperature dependent ones. As an example, we model the porous medium as cylindrical inclusions in a periodic array and solve the closure problem for the case of the one-equation model. We analyze the values of the second derivative of the thermal conductivity with respect to the temperature to establish the range where the nonlinear corrections must be considered to correctly describe the effective transport.