Open-source DEM digital models of widely-used powder characterisation tools, Part I: Shear testing and powder rheology

IF 4.6 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology Pub Date : 2025-07-21 DOI:10.1016/j.powtec.2025.121363

D. Werner , A.L. Nicuşan , L. Shaw , J.P.K. Seville , B.D. Jenkins , A. Ingram , C.R.K. Windows-Yule

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Abstract

The Discrete Element Method (DEM) is a useful method for the simulation of a myriad of scientifically and industrially important systems. However, the accuracy of these simulations is predicated on precise and rigorous calibration, a process which is infamously complex and, to date, has no standardised best practice. This complexity arises in large part because many of the ‘microscopic’ or ‘particle-level’ parameters required to calibrate a DEM model cannot be directly acquired from conventional powder characterisation instruments, which offer only ‘macroscopic’ (bulk) measurements. In this paper, we present DEM digital models of the Schulze shear cell and the Freeman Technology FT4 Powder Rheometer. We demonstrate how these simulated systems may be used to ‘backcompute’ the values of microscopic DEM parameters from bulk measurements. Links are provided to open-source repositories in which the full DEM models, CAD geometries and auxiliary Python codes associated with each digital model may be accessed by the reader and freely used in their own future research.

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开源数字模型的广泛使用的粉末表征工具，第一部分：剪切测试和粉末流变

离散元法（DEM）是一种对无数科学和工业上重要系统进行仿真的有用方法。然而，这些模拟的准确性是建立在精确和严格的校准基础上的，这一过程是出了名的复杂，迄今为止，还没有标准化的最佳实践。这种复杂性在很大程度上是因为校准DEM模型所需的许多“微观”或“颗粒级”参数不能直接从传统的粉末表征仪器中获得，这些仪器只能提供“宏观”（散装）测量。在本文中，我们提出了舒尔茨剪切室和弗里曼技术FT4粉末流变仪的DEM数字模型。我们演示了这些模拟系统如何用于从批量测量中“反向计算”微观DEM参数的值。提供了开源存储库的链接，其中完整的DEM模型、CAD几何图形和与每个数字模型相关的辅助Python代码可以由读者访问，并在他们自己未来的研究中自由使用。

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来源期刊

Powder Technology 工程技术-工程：化工

CiteScore

9.90

自引率

15.40%

发文量

1047

审稿时长

46 days

期刊介绍： Powder Technology is an International Journal on the Science and Technology of Wet and Dry Particulate Systems. Powder Technology publishes papers on all aspects of the formation of particles and their characterisation and on the study of systems containing particulate solids. No limitation is imposed on the size of the particles, which may range from nanometre scale, as in pigments or aerosols, to that of mined or quarried materials. The following list of topics is not intended to be comprehensive, but rather to indicate typical subjects which fall within the scope of the journal's interests: Formation and synthesis of particles by precipitation and other methods. Modification of particles by agglomeration, coating, comminution and attrition. Characterisation of the size, shape, surface area, pore structure and strength of particles and agglomerates (including the origins and effects of inter particle forces). Packing, failure, flow and permeability of assemblies of particles. Particle-particle interactions and suspension rheology. Handling and processing operations such as slurry flow, fluidization, pneumatic conveying. Interactions between particles and their environment, including delivery of particulate products to the body. Applications of particle technology in production of pharmaceuticals, chemicals, foods, pigments, structural, and functional materials and in environmental and energy related matters. For materials-oriented contributions we are looking for articles revealing the effect of particle/powder characteristics (size, morphology and composition, in that order) on material performance or functionality and, ideally, comparison to any industrial standard.