Giovanni Iozzi, Francesca O. Alfano, Sina Zinatlou Ajabshir, Diego Barletta, Massimo Poletto, Francesco P. Di Maio, Alberto Di Renzo
{"title":"Robust Bayesian parameter calibration for DEM simulations of shear cell test","authors":"Giovanni Iozzi, Francesca O. Alfano, Sina Zinatlou Ajabshir, Diego Barletta, Massimo Poletto, Francesco P. Di Maio, Alberto Di Renzo","doi":"10.1016/j.cherd.2026.06.017","DOIUrl":null,"url":null,"abstract":"<div><div>Shear test devices are commonly employed to characterise the mechanical behaviour of (cohesive) particulate materials. In simulations, Discrete Element Method (DEM) models require correct material parameter values for accurate predictions in a broad variety of process applications. In the present work, two open-source codes implementing robust Bayesian calibration (GrainLearning) and DEM (MFIX-DEM) are effectively integrated into a framework to investigate the capability of DEM to represent the key features of experimental shear cell test data on a model granular material. Material properties, geometric characteristics and operating procedures were carefully matched by using a periodic box subjected to stress- and displacement-controlled walls. Properties such as the static friction coefficient, rolling friction coefficient, and cohesive energy in DEM are varied in a statistically consistent way to capture the experimental data of the yield loci collected on spherical glass beads. With the calibration process for standard DEM, it was found that, under the conditions investigated, no combination of reasonable parameter values yielded sufficient shear resistance. So, in analogy with approaches documented in the literature, spherical particles with partially and fully locked rotation have been considered, with only the latter case being successful. The sequential Bayesian filtering approach allowed appropriate DEM parameters to be found along with their uncertainty quantification. Using these values, various other experimental features were captured with good agreement, including the evolution of the shear stress during loading and the dilation behaviour. Finally, DEM results were processed to examine the formation of the shear displacement vertical profile from the elastic to the yielding stage.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 343-360"},"PeriodicalIF":4.0000,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Engineering Research & Design","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0263876226003783","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/6/11 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Shear test devices are commonly employed to characterise the mechanical behaviour of (cohesive) particulate materials. In simulations, Discrete Element Method (DEM) models require correct material parameter values for accurate predictions in a broad variety of process applications. In the present work, two open-source codes implementing robust Bayesian calibration (GrainLearning) and DEM (MFIX-DEM) are effectively integrated into a framework to investigate the capability of DEM to represent the key features of experimental shear cell test data on a model granular material. Material properties, geometric characteristics and operating procedures were carefully matched by using a periodic box subjected to stress- and displacement-controlled walls. Properties such as the static friction coefficient, rolling friction coefficient, and cohesive energy in DEM are varied in a statistically consistent way to capture the experimental data of the yield loci collected on spherical glass beads. With the calibration process for standard DEM, it was found that, under the conditions investigated, no combination of reasonable parameter values yielded sufficient shear resistance. So, in analogy with approaches documented in the literature, spherical particles with partially and fully locked rotation have been considered, with only the latter case being successful. The sequential Bayesian filtering approach allowed appropriate DEM parameters to be found along with their uncertainty quantification. Using these values, various other experimental features were captured with good agreement, including the evolution of the shear stress during loading and the dilation behaviour. Finally, DEM results were processed to examine the formation of the shear displacement vertical profile from the elastic to the yielding stage.
期刊介绍:
ChERD aims to be the principal international journal for publication of high quality, original papers in chemical engineering.
Papers showing how research results can be used in chemical engineering design, and accounts of experimental or theoretical research work bringing new perspectives to established principles, highlighting unsolved problems or indicating directions for future research, are particularly welcome. Contributions that deal with new developments in plant or processes and that can be given quantitative expression are encouraged. The journal is especially interested in papers that extend the boundaries of traditional chemical engineering.