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Development of a particle simulator for realistic clayey particles considering mechanical and electro-chemical forces - demystify microscopic mechanisms inside the 'house of cards' at micrometer scale

Research Project

Project/Area Number 21K04265
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 22030:Geotechnical engineering-related
Research InstitutionJapan Agency for Marine-Earth Science and Technology

Principal Investigator

CHEN JIAN  国立研究開発法人海洋研究開発機構, 付加価値情報創生部門(数理科学・先端技術研究開発センター), 副主任研究員 (20640931)

Project Period (FY) 2021-04-01 – 2025-03-31
Project Status Granted (Fiscal Year 2023)
Budget Amount *help
¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2023: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2022: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2021: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Keywordsclayey particle / plate particle geometry / discrete element method / adhesive contact / clayey particles / plate-like geometry / unit quaternions / particle simulator / non-spherical DEM / house-of-card effect / electro-chemical forces
Outline of Research at the Start

The purpose of this research project is to develop a simulator for investigating the macroscopic behaviors of clays from particle-scale interactions. To fulfill this purpose, we will first formulate and develop computer code for the kinematics of plate-like particles in 3D settings using unit quaternions. Then we will model the electro-chemical forces between plate-like particles and develop computer code for the dynamics of the particles. Last, we will validate the computer simulator by conducting numerical experiments with respect to actual experimental results.

Outline of Annual Research Achievements

This project aims to develop a particle simulator tailored for realistic clay particles using the Discrete Element Method (DEM) to analyze granular material dynamics via particle-scale interactions. The DEM simulator consists of three essential components: particle geometry and kinematics, interparticle interactions including force models, and neighborhood detection. In FY2023, we refined the JKR model to remove its discontinuity in force and energy evolution and to achieve a continuous model by combining two mathematically sound analytical solutions. Compared with the discontinuous JKR model derived in FY2022, this refined JKR model enables more stable simulations. In addition, we formulated our version of the Van-der-Waals force model and initiated research on contact torque definitions for two interacting plates. This formulation extends the applicability of the conventional formulations for a plate interacting with an infinite plane. Since neighborhood detection directly affects simulation efficiency, we also worked on improving and testing new neighborhood detection algorithms using tree data structures. We were also able to publish the results of this research project in international journals such as "Powder Technology" and "Computers and Geotechnics", representing an advance in our understanding and simulation capabilities for clay particle systems.

Current Status of Research Progress
Current Status of Research Progress

2: Research has progressed on the whole more than it was originally planned.

Reason

The project is progressing well: Over the past year, we have focused on improving the force-displacement model which we derived based on Johnson-Kendall-Roberts (JKR) theory. The JKR-based force model had inherent discontinuities during contact formation and separation. During this fiscal year, the JKR-based model was further refined to ensure continuous transitions. The refined JKR model stabilizes simulations by allowing numerical integration of particle trajectories and velocities from continuous interparticle forces, allowing larger time steps and ensuring energy conservation in simulations. Details can be found in our published paper in “Powder Technology”. We have also addressed a significant limitation of the conventional van der Waals force model for macroscopic bodies originally proposed by Anandarajah and Chen. Our improved analytical solutions now include extreme cases of parallel and orthogonal orientations of two plates, providing a robust alternative to the previous model, which only considered a rectangular box interacting with an infinite plane. For neighborhood detection, we investigated the potential of a tree data structure approach. A manuscript detailing the implementation and performance analysis of the tree data structure is under review. In summary, the force interaction studies have progressed well, and we have also implemented the plan to improve the neighborhood detection algorithm. While the integration of all the components is still pending, we have made efforts to publish and have been successful in publishing research results.

Strategy for Future Research Activity

The next phase of our project involves the comprehensive integration of the three core components of our particle simulator: particle geometry and kinematics, particle interaction model, and neighborhood detection. This integration will form the basis of a fully functional simulator ready for extensive testing through numerical experiments.

Following the integration, we will conduct a series of test runs to validate and refine the capabilities of our simulator. One of the first tests will be a gravitational deposition experiment designed to assess the interplay between inertial, mechanical and surface forces. This experiment will provide insight into the relative strengths and effects of these forces during particle deposition processes. In addition, understanding the pore space characteristics, such as the size distribution among platy particles, is essential for analyzing the "house of cards" structure they form. This requires the development of analytical tools capable of characterizing these unique spatial configurations.

These experiments and analyses are critical to advancing our knowledge of particle dynamics, and will help refine the simulator to provide more accurate predictions and a better understanding of complex granular systems.

Report

(3 results)
  • 2023 Research-status Report
  • 2022 Research-status Report
  • 2021 Research-status Report
  • Research Products

    (23 results)

All 2024 2023 2022 2021

All Journal Article (7 results) (of which Peer Reviewed: 7 results,  Open Access: 5 results) Presentation (16 results) (of which Int'l Joint Research: 12 results,  Invited: 3 results)

  • [Journal Article] Toward large-scale fine resolution DEM landslide simulations: periodic granular box for efficient modeling of excavatable slope2024

    • Author(s)
      Chen Jian、Furuichi Mikito、Nishiura Daisuke
    • Journal Title

      Computers and Geotechnics

      Volume: 165 Pages: 105855-105855

    • DOI

      10.1016/j.compgeo.2023.105855

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Toward Development of a Plate Discrete Element Method: Geometry and Kinematics2023

    • Author(s)
      Chen Jian、Krengel Dominik、Matuttis Hans-Georg
    • Journal Title

      International Journal of Computational Methods

      Volume: Online Issue: 04 Pages: 2342002-2342002

    • DOI

      10.1142/s0219876223420021

    • Related Report
      2023 Research-status Report
    • Peer Reviewed
  • [Journal Article] A force-displacement relation based on the JKR theory for DEM simulations of adhesive particles2023

    • Author(s)
      Chen Jian、Krengel Dominik、Nishiura Daisuke、Furuichi Mikito、Matuttis Hans-Georg
    • Journal Title

      Powder Technology

      Volume: 427 Pages: 118742-118742

    • DOI

      10.1016/j.powtec.2023.118742

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Effects of particle angularity on the bulk-characteristics of granular assemblies under plane strain condition2023

    • Author(s)
      Krengel Dominik、Chen Jian、Kikumoto Mamoru
    • Journal Title

      Computers and Geotechnics

      Volume: 164 Pages: 105812-105812

    • DOI

      10.1016/j.compgeo.2023.105812

    • Related Report
      2023 Research-status Report
    • Peer Reviewed
  • [Journal Article] Analyzing effects of microscopic material parameters on macroscopic mechanical responses in underwater mixing using discrete element method2022

    • Author(s)
      Chen Jian、Kitamura Azusa、Barbieri Ettore、Nishiura Daisuke、Furuichi Mikito
    • Journal Title

      Powder Technology

      Volume: 401 Pages: 117304-117304

    • DOI

      10.1016/j.powtec.2022.117304

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Experimental study of particle shape dependence of avalanches inside a rotating drum2021

    • Author(s)
      Chen Jian、Krengel Dominik、Matuttis Hans-Georg
    • Journal Title

      EPJ Web of Conferences

      Volume: 249 Pages: 06001-06001

    • DOI

      10.1051/epjconf/202124906001

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Implementation of numerically exact Coulomb friction for discrete element simulations in three dimensions2021

    • Author(s)
      Sakamaki Shouta、Krengel Dominik、Mueller Jan、Chen Jian、Matuttis Hans-Georg
    • Journal Title

      EPJ Web of Conferences

      Volume: 249 Pages: 14005-14005

    • DOI

      10.1051/epjconf/202124914005

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] Experimental and Numerical Studies on Penetrating Granular Packings2023

    • Author(s)
      Jian Chen, Mika Tei, Ettore Barbieri, Daisuke Nishiura, Mikito Furuichi
    • Organizer
      The 14th International Conference on Computational Methods (ICCM2023)
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] JKR theory-based force-displacement relation for DEM simulations of adhesive particles2023

    • Author(s)
      Jian Chen, Dominik Krengel, Daisuke Nishiura, Mikito Furuichi, Hans-Georg Matuttis
    • Organizer
      The 9th International Conference on Discrete Element Methods (DEM9)
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Study of landslide on excavatable surfaces using fine-resolution discrete element simulation2023

    • Author(s)
      Jian Chen, Mikito Furuichi and Daisuke Nishiura
    • Organizer
      The 6th World Landslide Forum (WLF6)
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Stabilization of static friction in constraint mechanics2023

    • Author(s)
      Hans-Georg Matuttis, Mitsutoshi Sato, Dominik Krengel, Jian Chen
    • Organizer
      The 28th International Conference on Statistical Physics (Statphys28)
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Dimensionality effects in granulates under biaxial compression2023

    • Author(s)
      Dominik Krengel, Yuki Shimizu, Jian Chen, Hans-Georg Matuttis
    • Organizer
      The 28th International Conference on Statistical Physics (Statphys28)
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Implementation of Van-der Waals forces for arbitrary oriented, finite sized platy nanoparticles in discrete element simulations2023

    • Author(s)
      Dominik Krengel, Jian Chen, Takashi Matsushima
    • Organizer
      The 9th International Conference on Discrete Element Methods (DEM9)
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Biaxial compression of angular particles2023

    • Author(s)
      Dominik Krengel, Jian Chen, Mamoru Kikumoto
    • Organizer
      The 7th International Soft Matter Conference
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Toward real-scale DEM simulations of landslide: periodic granular box for initializing slope geometry2023

    • Author(s)
      Mikoto Furuichi, Daisuke Nishiura, Jian Chen
    • Organizer
      International Workshop on Seismic Design and Assessment for Resilience, Robustness and Sustainability of Slope Engineering
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Numerical and experimental study of a mixing process in dry and saturated conditions2022

    • Author(s)
      Jian Chen, Daisuke Nishiura, Mikito Furuichi
    • Organizer
      13th International Conference on Computational Methods
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Development of a plate discrete element method: geometry and kinematics2022

    • Author(s)
      Jian Chen, Hans-Georg Matuttis
    • Organizer
      13th International Conference on Computational Methods
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Discrete Element Simulations from two-dimensions with polygons to three dimensions with rods2022

    • Author(s)
      Yuki Shimizu, Hans-Georg Matuttis, Dominik Krengel, Jian Chen
    • Organizer
      15th World Congress on Computational Mechanics & 8th Asian Pacific Congress on Computational Mechanics
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] Numerical stabilization for the constraint formulation of many-body-many-contact Coulomb friction2022

    • Author(s)
      Hans-Georg Matuttis, Keita Shinohara, Dominik Krengel, Jian Chen, Jan Mueller
    • Organizer
      15th World Congress on Computational Mechanics & 8th Asian Pacific Congress on Computational Mechanics
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] Periodic boundary granular box method for initializing large scale numerical sandbox models2022

    • Author(s)
      Jian Chen, Daisuke Nishiura, Mikoto Furuichi
    • Organizer
      JpGU 2022
    • Related Report
      2022 Research-status Report
  • [Presentation] Influence of material properties on the mechanical responses of an underwater soil mixing process2021

    • Author(s)
      Jian Chen
    • Organizer
      ICCM2021
    • Related Report
      2021 Research-status Report
  • [Presentation] Experimental study of particle shape dependence of avalanches inside a ro- tating drum2021

    • Author(s)
      Chen Jian
    • Organizer
      Powders and Grains 2021
    • Related Report
      2021 Research-status Report
  • [Presentation] Implementation of numerically exact Coulomb friction for discrete element simulations in three dimensions2021

    • Author(s)
      Matuttis Hans-Georg
    • Organizer
      Powders and Grains 2021
    • Related Report
      2021 Research-status Report

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Published: 2021-04-28   Modified: 2024-12-25  

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