Adaptive atomistic-to-continuum modeling of propagating defects

Philip Moseley, Jay Oswald, Ted Belytschko

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

SUMMARY: An adaptive atomistic-to-continuum method is presented for modeling the propagation of material defects. This method extends the bridging domain method to allow the atomic domain to dynamically conform to the evolving defect regions during a simulation, without introducing spurious oscillations and without requiring mesh refinement. The atomic domain expands as defects approach the bridging domain method coupling domain by fine graining nearby finite elements into equivalent atomistic subdomains. Additional algorithms coarse grain portions of the atomic domain to the continuum scale, reducing the degrees of freedom, when the atomic displacements in a subdomain can be approximated by FEM or extended FEM elements to within a certain homogeneity tolerance. The extended FEM approximations are created by fitting the broken inter-atomic bonds of fractured surfaces and dislocation slip planes. Because atomic degrees of freedom are maintained only where needed for each timestep, the solution retains the advantages of multiscale modeling, with a reduced computational cost compared with other multiscale methods.

Original languageEnglish (US)
Pages (from-to)835-856
Number of pages22
JournalInternational Journal for Numerical Methods in Engineering
Volume92
Issue number10
DOIs
StatePublished - Dec 7 2012

Fingerprint

Continuum
Defects
Finite element method
Modeling
Degree of freedom
Multiscale Modeling
Coupling Method
Multiscale Methods
Mesh Refinement
Dislocation
Homogeneity
Slip
Expand
Tolerance
Computational Cost
Costs
Oscillation
Propagation
Finite Element
Approximation

Keywords

  • Adaptivity
  • Bridging domain method
  • Concurrent multiscale
  • Crack propagation
  • Extended finite element method
  • Fracture

ASJC Scopus subject areas

  • Engineering(all)
  • Applied Mathematics
  • Numerical Analysis

Cite this

Adaptive atomistic-to-continuum modeling of propagating defects. / Moseley, Philip; Oswald, Jay; Belytschko, Ted.

In: International Journal for Numerical Methods in Engineering, Vol. 92, No. 10, 07.12.2012, p. 835-856.

Research output: Contribution to journalArticle

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