软物质系颗粒材料组成、微结构与传输性能之间关联建模综述

A review of correlative modeling for transport properties, microstructures, and compositions of granular materials in soft matter

作为一种典型的软物质体系,颗粒材料的传输性能对相关工程材料在实际工程中应用的耐久性和服役寿命具有至关重要的影响.材料的物理性能通常依赖于其微结构特征,而颗粒材料微观结构的形成又直接与其成分结构密切相关.因此,清楚、准确地认识颗粒材料的组成、微结构与其传输性能之间的多尺度关联机理是提升颗粒材料力学性能和耐久性的保障.本文综述了当前颗粒多相复合材料传输性能建模的研究现状,着重介绍了颗粒材料传输性能建模涉及的三个主要方面:颗粒材料组成结构的建模、材料内部孔相和界面微结构的定量表征、颗粒材料传输行为的建模方法.并对复杂拓扑几何颗粒的构造、非球形粒子接触判据和随机堆积模型、界面厚度和孔隙率分布、界面体积分数、软化粒子(包括孔隙和界面)渗流以及颗粒多相复合材料有效扩散和反常扩散性能等领域的研究进展和前沿给予阐述,总结和展望了颗粒多相复合材料多尺度力学行为建模有待拓展的研究方向.

The transport property of granular material that is a typical of soft matter, plays a significant role in durability and service life in a relevant practical engineering structure. Physical properties of material is generally dependent on its microstructure. Meanwhile, the formation of microstructure is directly related to compositions of granular material.Understanding the intrinsic mechanisms of composition, microstructure, and transport property are of great importance for improving mechanical properties and durability of granular material. In this article, we review the new progress of modeling transport properties of granular multiphase materials. We focus on the three main aspects involving the simulations for geometrical models of composition structures, the quantitative characterizations for microstructures of pore and interface phases, and the theoretical and numerical strategies for transport properties of granular multiphase materials. In the first aspect, in-depth reviews of realizing complex morphologies of geometrical particles, detecting the overlap between adjacent non-spherical particles, and packing randomly non-spherical particles are presented. In the second aspect, we emphasize the development progress of the interfacial thickness and porosity distribution, the interfacial volume fraction, and the continuum percolation of soft particles such as compliant interfaces and discrete pores. In the final aspect, the modeling the transport properties and the frontier issues of the effective diffusion and anomalous diffusion in granular multiphase materials are elucidated. Finally, some conclusions and perspectives for future studies are provided.