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
Result code in IS VaVaI
Result on the web
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DOI - Digital Object Identifier
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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
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
JJ - Other materials
OECD FORD branch
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Result continuities
Project
GA14-00420S: Quasicontinuum methods for discrete dissipative systems
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
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
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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
Basic information
Result type
D - Article in proceedings
CEP
JJ - Other materials
Year of implementation
2016