A computational library for multiscale modeling of material failure

Hossein Talebi, Mohammad Silani, Stéphane P.A. Bordas, Pierre Kerfriden, Timon Rabczuk

Research output: Contribution to journalArticlepeer-review

452 Citations (Scopus)


We present an open-source software framework called PERMIX for multiscale modeling and simulation of fracture in solids. The framework is an object oriented opensource effort written primarily in Fortran 2003 standard with Fortran/C++ interfaces to a number of other libraries such as LAMMPS, ABAQUS, LS-DYNA and GMSH. Fracture on the continuum level is modeled by the extended finite element method (XFEM). Using several novel or state of the art methods, the piece software handles semi-concurrent multiscale methods as well as concurrent multiscale methods for fracture, coupling two continuum domains or atomistic domains to continuum domains, respectively. The efficiency of our open-source software is shown through several simulations including a 3D crack modeling in clay nanocomposites, a semi-concurrent FE-FE coupling, a 3D Arlequin multiscale example and an MD-XFEM coupling for dynamic crack propagation.

Original languageEnglish
Pages (from-to)1047-1071
Number of pages25
JournalComputational Mechanics
Issue number5
Publication statusPublished - 2014 May

Bibliographical note

Funding Information:
The authors thank the support of the German Research Foundation (DFG). Also, the authors gratefully acknowledge the help of Dr. Amitava Moitra from Pennsylvania State University for providing the WARP code. Stéphane Bordas and Pierre Kerfriden also thank partial funding for their time provided by the EPSRC under grant EP/G042705/1 Increased Reliability for Industrially Relevant Automatic Crack Growth Simulation with the eXtended finite element method. The European Research Council Starting Independent Research Grant (ERC Stg Grant Agreement No. 279578) entitled “RealTCut – Towards real time multiscale simulation of cutting in non-linear materials with applications to surgical simulation and computer guided surgery.”


  • Crack
  • Fracture
  • Molecular dynamics
  • XFEM

ASJC Scopus subject areas

  • Computational Mechanics
  • Ocean Engineering
  • Mechanical Engineering
  • Computational Theory and Mathematics
  • Computational Mathematics
  • Applied Mathematics


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