Ordering and metastability in jamming structures of sphere packings

IF 4.3 2区 材料科学 Q2 ENGINEERING, CHEMICAL Particuology Pub Date : 2025-04-01 Epub Date: 2025-03-07 DOI:10.1016/j.partic.2025.02.021
Wei Fan , Ju Wang , Xizhong An , Yongli Wu , Yi Zou , Kejun Dong , Runyu Yang , Ruiping Zou , Aibing Yu
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Abstract

Metastability, disorder and jamming are the typical characteristics of amorphous systems, while the related structure changes remain unclear. Sphere packing is often used as a structure model for amorphous and crystalline states. In this article, sphere packing systems with packing densities ranging from 0.50 to 0.74 were simulated by using Discrete Element Method (DEM), and the obtained packing structures were assessed to investigate the densification process and jamming properties. An order parameter that can effectively distinguish the order and disorder of packing structures was proposed based on the distribution characteristics of jamming angles. Then the evolution of jamming characteristics during the transition from Random Loose Packing (RLP) to Random Close Packing (RCP) and the jamming-jamming relations of different packing structures were demonstrated. On this basis, a correlation between order-jamming-metastable states from the microscopic structural perspective was established, which is of valuable theoretical and practical implications for the characterization and synthesis of crystalline and amorphous materials.

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球形填料干扰结构的有序性和亚稳态
亚稳态、无序和干扰是非晶体系的典型特征,但相关的结构变化尚不清楚。球形填料常被用作非晶态和晶态的结构模型。本文采用离散元法(DEM)对充填密度在0.50 ~ 0.74之间的球形充填系统进行了数值模拟,并对得到的充填结构进行了评价,研究了致密化过程和堵塞性能。根据干扰角的分布特征,提出了一种能有效区分填料结构有序与无序的序参量。在此基础上,分析了随机松散填料向随机紧密填料过渡过程中干扰特性的演化规律,并分析了不同填料结构的干扰-干扰关系。在此基础上,从微观结构的角度建立了有序干扰-亚稳态之间的关系,这对晶体和非晶态材料的表征和合成具有重要的理论和实际意义。
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来源期刊
Particuology
Particuology 工程技术-材料科学:综合
CiteScore
6.70
自引率
2.90%
发文量
1730
审稿时长
32 days
期刊介绍: The word ‘particuology’ was coined to parallel the discipline for the science and technology of particles. Particuology is an interdisciplinary journal that publishes frontier research articles and critical reviews on the discovery, formulation and engineering of particulate materials, processes and systems. It especially welcomes contributions utilising advanced theoretical, modelling and measurement methods to enable the discovery and creation of new particulate materials, and the manufacturing of functional particulate-based products, such as sensors. Papers are handled by Thematic Editors who oversee contributions from specific subject fields. These fields are classified into: Particle Synthesis and Modification; Particle Characterization and Measurement; Granular Systems and Bulk Solids Technology; Fluidization and Particle-Fluid Systems; Aerosols; and Applications of Particle Technology. Key topics concerning the creation and processing of particulates include: -Modelling and simulation of particle formation, collective behaviour of particles and systems for particle production over a broad spectrum of length scales -Mining of experimental data for particle synthesis and surface properties to facilitate the creation of new materials and processes -Particle design and preparation including controlled response and sensing functionalities in formation, delivery systems and biological systems, etc. -Experimental and computational methods for visualization and analysis of particulate system. These topics are broadly relevant to the production of materials, pharmaceuticals and food, and to the conversion of energy resources to fuels and protection of the environment.
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