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Research Topic

Topic: QC3D – Fundamentals of Fracture Team: Jiadi Fan, Min Shi, Dharamveer Kumar, Steve Whalen, Ellad Tadmor Collaboration: Woo Kyun Kim (U. Cincinnati), Jorge Vinals (UMN), Jialiang Le (UMN), Dov Sherman (Tel Aviv University) Funding: National Science Foundation (DMR), Israel Binational Science Foundation Figure: A finite element simulation of mode I fracture in graphene-reinforced epoxy. Bulk finite elements are separated by cohesive elements (shown in blue in the inset) with cohesive laws computed from molecular dynamics.

Description: A variety of techniques are being used to study static and dynamic fracture mechanics from a fundamental atomistic perspective. These include full molecular dynamics, multiscale quasicontinuum, cohesive zone finite elements, and phase field. A range of problems are being studied. Examples incude:

• Nucleation criteria for defects (dislocations and twins) at crack tips studied using quasicontinuum (QC) methods.
• Three dimensional effects on dynamic crack propagation studied using finite temperature QC ("hot-QC").
• Toughening effect of graphene and functionalized graphene on epoxy studied using cohesive finite elements with cohesive laws obtained from molecular dynamics calculations (see image above).
• Phase field methods informed by molecular simulations for brittle crack propagation.

• "Molecular Dynamics Predictions of Thermomechanical Properties of an Epoxy Thermosetting Polymer",
  J. Fan, A. Anastassiou, C. W. Macosko and E. B. Tadmor,
  Polymer, 196, 122477 (2020).
  pdf | doi | bibtex
  
  
• "Rescaling cohesive element properties for mesh independent fracture simulations",
  J. Fan and E. B. Tadmor,
  Engineering Fracture Mechanics, 213, 89–99 (2019).
  pdf | doi | bibtex
  
  
• "Twin nucleation Mechanisms at a Crack Tip in an HCP Material: Molecular Simulation",
  L. Kucherov and E. B. Tadmor,
  Acta Materialia, 55, 2065–2074 (2007).
  pdf | doi | bibtex
  
  
• "A First-Principles Measure for the Twinnability of FCC Metals",
  E. B. Tadmor and N. Bernstein,
  Journal of the Mechanics and Physics of Solids, 52, 2507–2519 (2004).
  pdf | doi | bibtex
  
  
• "Tight-binding Calculations of Stacking Energies and Twinnability in FCC Metals",
  N. Bernstein and E. B. Tadmor,
  Physical Review B, 69, 094116 (2004).
  pdf | doi | bibtex
  
  
• "A Peierls Criterion for the Onset of Deformation Twinning at Crack Tips",
  E. B. Tadmor and S. Hai,
  Journal of the Mechanics and Physics of Solids, 51, 765–793 (2003).
  pdf | doi | bibtex
  
  
• "Deformation Twinning at Aluminum Crack Tips",
  S. Hai and E. B. Tadmor,
  Acta Materialia, 51, 117–131 (2003).
  pdf | doi | bibtex
  
  
• "Quasicontinuum Models of Fracture and Plasticity",
  R. Miller, M. Ortiz, R. Phillips, V. B. Shenoy and E. B. Tadmor,
  Engineering Fracture Mechanics, 61, 427–444 (1998).
  pdf | doi | bibtex
  
  
• "Quasicontinuum Simulation of Fracture at the Atomic Scale",
  R. Miller, E. B. Tadmor, R. Phillips and M. Ortiz,
  Modelling and Simulation in Materials Science and Engineering, 6, 607–638 (1998).
  pdf | doi | bibtex