A “Sequential Design of Simulations” approach for exploiting and calibrating discrete element simulations of cohesive powders

doi:10.1007/s11705-021-2131-1

Front. Chem. Sci. Eng.

2022, Vol. 16

Issue (6) : 874-885 https://doi.org/10.1007/s11705-021-2131-1

RESEARCH ARTICLE

A “Sequential Design of Simulations” approach for exploiting and calibrating discrete element simulations of cohesive powders

Xizhong Chen^1,^2,³, Chunlei Pei^1,⁴(

), James A. Elliott¹(

)

¹. Department of Materials Science and Metallurgy, University of Cambridge, Cambridge CB3 0FS, UK
². Process and Chemical Engineering, School of Engineering, University College Cork, Cork T12 K8AF, Ireland
³. Department of Chemical and Biological Engineering, The University of Sheffield, Sheffield S10 2TN, UK
⁴. Key Laboratory for Green Chemical Technology of Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China

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Abstract

The flow behaviours of cohesive particles in the ring shear test were simulated and examined using discrete element method guided by a design of experiments methodology. A full factorial design was used as a screening design to reveal the effects of material properties of partcles. An augmented design extending the screening design to a response surface design was constructed to establish the relations between macroscopic shear stresses and particle properties. It is found that the powder flow in the shear cell can be classified into four regimes. Shear stress is found to be sensitive to particle friction coefficient, surface energy and Young’s modulus. A considerable fluctuation of shear stress is observed in high friction and low cohesion regime. In high cohesion regime, Young’s modulus appears to have a more significant effect on the shear stress at the point of incipient flow than the shear stress during the pre-shear process. The predictions from response surface designs were validated and compared with shear stresses measured from the Schulze ring shear test. It is found that simulations and experiments showed excellent agreement under a variety of consolidation conditions, which verifies the advantages and feasibility of using the proposed “Sequential Design of Simulations” approach.

Keywords discrete element method cohesive materials parameter calibration ring shear cell design of experiments

Corresponding Author(s): Chunlei Pei,James A. Elliott

Online First Date: 01 March 2022 Issue Date: 28 June 2022

Cite this article:

Xizhong Chen,Chunlei Pei,James A. Elliott. A “Sequential Design of Simulations” approach for exploiting and calibrating discrete element simulations of cohesive powders[J]. Front. Chem. Sci. Eng., 2022, 16(6): 874-885.

URL:

https://academic.hep.com.cn/fcse/EN/10.1007/s11705-021-2131-1
https://academic.hep.com.cn/fcse/EN/Y2022/V16/I6/874

Fig.1 A SDoS approach for studying and calibrating DEM simulations.

Property	Value
Particle density/(kg·m^–3)	1600
Number of particles	~80000
Particle radius/ $μm$	125 (30%), 75 (61%), 60 (9%)
Surface energy/(J·m^–2)	0.0001–0.1
Young’s modulus/GPa	0.13–1.3
Poisson’s ratio	0.1–0.5
Particle-particle friction coefficient	0.1–0.8
Particle-particle restitution coefficient	0.3–0.9
Wall Young’s modulus/GPa	1.3
Wall Poisson’s ratio	0.3
Particle-wall friction coefficient	0.1
Particle-wall restitution coefficient	0.6

Tab.1 Simulation parameters used in ring shear test

Tab.2 Design table of the full factorial design used in this study

Fig.2 The simulated shear strain-stress results by the full factorial design.

Tab.3 The effect summary for pre-shear shear stress predicted by the full factorial design

Fig.3 The simulated pre-shear shear stresses by the full factorial design.

Tab.4 The effect summary for shear stress at the incipient flow predicted by the full factorial design

Fig.4 The simulated shear stress at the incipient flow by the full factorial design.

Fig.5 Four different flow regimes extracted from the full factorial design. (a) Low particle friction and low cohesion; (b) high particle cohesion and low cohesion; (c) low particle friction and high cohesion; (d) high particle friction and high cohesion.

Tab.5 Design table of the response surface design used in this study

Fig.6 The surface plots predicted by the response surface design (a) response surface of pre-shear stress by varying particle friction and surface energy (b) response surface of shear stress at incipient flow by varying particle friction and surface energy. The black mesh planes represent the experimental measurement values.

Fig.7 The actual and predicted stress fitted by the response surface design (a) shear stress at pre-shear (b) shear stress at incipient flow. The line of fit is solid red and the confidence bands (95%) are shaded red. The dashed horizontal blue line is the mean stress of the simulation cases.

Fig.8 The prediction profiler from the fitting of response surface design results.

Fig.9 (a) Validation of the pre-shear shear stress and shear stress at the incipient flow predicted from response surface design; (b) test of the validity of the calibrated material properties for the predictions of shear stress at the incipient flow under different normal stresses.

Fig.10 Comparisons of the shear stresses from experimental measurement and DEM simulation using calibrated material properties under a 5 kPa pre-consolidation normal stress.

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