Molecular statics simulation of nanoindentation using adapative quasicontinuum method

Research output: Contribution to journalConference articleAcademicpeer-review

Abstract

In this work, molecular statics is used to model a nanoindentation test on a two-dimensional hexagonal lattice. To this end, the QuasiContinuum (QC) method with adaptive propagation of the fully resolved domain is used to reduce the computational cost required by the full atomistic model. Three different adaptive mesh refinement criteria are introduced and tested, based on: (i) the Zienkiewicz-Zhu criterion (used for the deformation gradient), (ii) local atoms’ site energy, and (iii) local lattice disregistry. Accuracy and efficiency of individual refinement schemes are compared against the full atomistic model and obtained results are discussed.
LanguageEnglish
Pages57-62
JournalActa Polytechnica = CTU Proceedings
Volume15
DOIs
StatePublished - 2018

Keywords

  • Molecular statics
  • quasicontinuum method
  • adaptivity
  • nanoindentation

Cite this

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title = "Molecular statics simulation of nanoindentation using adapative quasicontinuum method",
abstract = "In this work, molecular statics is used to model a nanoindentation test on a two-dimensional hexagonal lattice. To this end, the QuasiContinuum (QC) method with adaptive propagation of the fully resolved domain is used to reduce the computational cost required by the full atomistic model. Three different adaptive mesh refinement criteria are introduced and tested, based on: (i) the Zienkiewicz-Zhu criterion (used for the deformation gradient), (ii) local atoms’ site energy, and (iii) local lattice disregistry. Accuracy and efficiency of individual refinement schemes are compared against the full atomistic model and obtained results are discussed.",
keywords = "Molecular statics, quasicontinuum method, adaptivity, nanoindentation",
author = "Karel Mikes and Ondrej Rokos and Peerlings, {Ron H. J.}",
year = "2018",
doi = "10.14311/APP.2018.15.0057",
language = "English",
volume = "15",
pages = "57--62",
journal = "Acta Polytechnica = CTU Proceedings",
issn = "2336-5382",
publisher = "Czech Technical University in Prague",

}

Molecular statics simulation of nanoindentation using adapative quasicontinuum method. / Mikes, Karel; Rokos, Ondrej; Peerlings, Ron H. J.

In: Acta Polytechnica = CTU Proceedings, Vol. 15, 2018, p. 57-62.

Research output: Contribution to journalConference articleAcademicpeer-review

TY - JOUR

T1 - Molecular statics simulation of nanoindentation using adapative quasicontinuum method

AU - Mikes,Karel

AU - Rokos,Ondrej

AU - Peerlings,Ron H. J.

PY - 2018

Y1 - 2018

N2 - In this work, molecular statics is used to model a nanoindentation test on a two-dimensional hexagonal lattice. To this end, the QuasiContinuum (QC) method with adaptive propagation of the fully resolved domain is used to reduce the computational cost required by the full atomistic model. Three different adaptive mesh refinement criteria are introduced and tested, based on: (i) the Zienkiewicz-Zhu criterion (used for the deformation gradient), (ii) local atoms’ site energy, and (iii) local lattice disregistry. Accuracy and efficiency of individual refinement schemes are compared against the full atomistic model and obtained results are discussed.

AB - In this work, molecular statics is used to model a nanoindentation test on a two-dimensional hexagonal lattice. To this end, the QuasiContinuum (QC) method with adaptive propagation of the fully resolved domain is used to reduce the computational cost required by the full atomistic model. Three different adaptive mesh refinement criteria are introduced and tested, based on: (i) the Zienkiewicz-Zhu criterion (used for the deformation gradient), (ii) local atoms’ site energy, and (iii) local lattice disregistry. Accuracy and efficiency of individual refinement schemes are compared against the full atomistic model and obtained results are discussed.

KW - Molecular statics

KW - quasicontinuum method

KW - adaptivity

KW - nanoindentation

U2 - 10.14311/APP.2018.15.0057

DO - 10.14311/APP.2018.15.0057

M3 - Conference article

VL - 15

SP - 57

EP - 62

JO - Acta Polytechnica = CTU Proceedings

T2 - Acta Polytechnica = CTU Proceedings

JF - Acta Polytechnica = CTU Proceedings

SN - 2336-5382

ER -