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Comparison of quasicontinuum approaches using various levels of simplification

Result description

Atomistically based simulations of materials with disordered microstructure often lead to a high number of degrees of freedom (DOFs) and extreme computational costs. The quasicontinuum method (QC) is a multiscale simulation technique which combines fast continuum and exact atomistic approaches. The key idea of QC is to reduce the computational cost by reducing degrees of freedom of the fully atomistic approach. In the present work, the QC idea is applied to particle systems with elastic-brittle links representing a specific material microstructure. Three approaches using various levels of simplification based on the idea of QC are described and implemented. Accuracy and specific properties of QC-inspired approaches are evaluated by comparing the results with the fully resolved particle model.

Keywords

quasicontinuum methodfinite elementsdiscrete particle modelelasto-brittle material

The result's identifiers

Alternative languages

  • Result language

    angličtina

  • Original language name

    Comparison of quasicontinuum approaches using various levels of simplification

  • Original language description

    Atomistically based simulations of materials with disordered microstructure often lead to a high number of degrees of freedom (DOFs) and extreme computational costs. The quasicontinuum method (QC) is a multiscale simulation technique which combines fast continuum and exact atomistic approaches. The key idea of QC is to reduce the computational cost by reducing degrees of freedom of the fully atomistic approach. In the present work, the QC idea is applied to particle systems with elastic-brittle links representing a specific material microstructure. Three approaches using various levels of simplification based on the idea of QC are described and implemented. Accuracy and specific properties of QC-inspired approaches are evaluated by comparing the results with the fully resolved particle model.

  • Czech name

  • Czech description

Classification

  • Type

    D - Article in proceedings

  • CEP classification

    JJ - Other materials

  • OECD FORD branch

Result continuities

Others

  • Publication year

    2016

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Article name in the collection

    Engineering Mechanics 2016 - Book of full texts

  • ISBN

    978-80-87012-59-8

  • ISSN

    1805-8248

  • e-ISSN

  • Number of pages

    4

  • Pages from-to

    394-397

  • Publisher name

    Institute of Thermomechanics, AS CR, v.v.i.

  • Place of publication

    Prague

  • Event location

    Svratka

  • Event date

    May 9, 2016

  • Type of event by nationality

    WRD - Celosvětová akce

  • UT code for WoS article

    000379986700095