Overcoming the limitations of distinct element method for multiscale modeling of materials with multimodal internal structure

Evgeny V. Shilko, Sergey G. Psakhie, Siegfried Schmauder, Valentin Leonidovich Popov, Sergey V. Astafurov, Alexey Yu Smolin

Research output: Contribution to journalArticle

60 Citations (Scopus)

Abstract

This paper develops an approach to model the deformation and fracture of heterogeneous materials at different scales (including multiscale modeling) within a discrete representation of the medium. Within this approach, molecular dynamics is used for the atomic-scale simulation. The simply deformable distinct element method is applied for simulating at higher length scales. This approach is proposed to be implemented using a general way to derive relations for interaction forces between distinct elements in a many-body approximation similar to that of the embedded atom method. This makes it possible to overcome limitations of the distinct element method which are related to difficulties in implementing complex rheological and fracture models of solids at different length scales. For an adequate description of the mechanical behavior features of materials at the micro- and mesoscales, two kinds of models that consider grain and phase boundaries within the discrete element framework are proposed. Examples are given to illustrate the application of the developed formalism to the study of the mechanical response (including fracture) of materials with multiscale internal structure. The examples show that the simply deformable distinct element method is a correct and efficient tool for analyzing complex problems in solid mechanics (including mechanics of discontinua) at different scales.

Original languageEnglish
Pages (from-to)267-285
Number of pages19
JournalComputational Materials Science
Volume102
DOIs
Publication statusPublished - 1 Jan 2015

Fingerprint

Multiscale Modeling
Internal
Distinct
Mechanics
Length Scale
Phase boundaries
Discrete Elements
Heterogeneous Materials
Solid Mechanics
Molecular dynamics
solid mechanics
Grain boundaries
Mechanical Behavior
Molecular Dynamics
embedded atom method
Atoms
microbalances
Model
grain boundaries
molecular dynamics

Keywords

  • Discrete element method
  • Distinct element method
  • Interphase boundary
  • Many-body interaction
  • Multimodal internal structure
  • Multiscale modeling
  • Simply deformable element

ASJC Scopus subject areas

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

Cite this

Overcoming the limitations of distinct element method for multiscale modeling of materials with multimodal internal structure. / Shilko, Evgeny V.; Psakhie, Sergey G.; Schmauder, Siegfried; Popov, Valentin Leonidovich; Astafurov, Sergey V.; Smolin, Alexey Yu.

In: Computational Materials Science, Vol. 102, 01.01.2015, p. 267-285.

Research output: Contribution to journalArticle

Shilko, Evgeny V. ; Psakhie, Sergey G. ; Schmauder, Siegfried ; Popov, Valentin Leonidovich ; Astafurov, Sergey V. ; Smolin, Alexey Yu. / Overcoming the limitations of distinct element method for multiscale modeling of materials with multimodal internal structure. In: Computational Materials Science. 2015 ; Vol. 102. pp. 267-285.
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