A stochastic framework for atomistic fracture

DOI10.1137/21M1416436MaRDI QIDQ5068951zbMATH OpenOpenAlexFDO

Authors MacIej Buze, Thoms E. Woolley, L. Angela Mihai

Publication date 7 April 2022

Published in SIAM Journal on Applied Mathematics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2104.14608

zbMATH Keywords

stressmaximum entropy principlestochastic modellingCauchy-Born ruleLennard-Jones interatomic potentialmode-I surface crack

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Theories of fracture and damage (74A45) Stochastic and other probabilistic methods applied to problems in solid mechanics (74S60)

Abstract: We present a stochastic modeling framework for atomistic propagation of a Mode I surface crack, with atoms interacting according to the Lennard-Jones interatomic potential at zero temperature. Specifically, we invoke the Cauchy-Born rule and the maximum entropy principle to infer probability distributions for the parameters of the interatomic potential. We then study how uncertainties in the parameters propagate to the quantities of interest relevant to crack propagation, namely, the critical stress intensity factor and the lattice trapping range. For our numerical investigation, we rely on an automated version of the so-called numerical-continuation enhanced flexible boundary (NCFlex) algorithm.

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Cited in

(8)

• scientific article; zbMATH DE number 1145713 (Why is no real title available?)
• Approximations for the strength distribution and size effect in an idealized lattice model of material breakdown
• Stochastic fracture of ceramics under dynamic tensile loading
• Fracture statistics in the three-dimensional random fuse model
• Stochastic analysis of the fracture of solids with microcracks
• The atomic dynamics of fracture
• A nonlinear fracture differential kinetic model to depict chaotic atom motions at a fatigue crack tip based on the differentiable manifold methodology
• Atomistic characterization of three-dimensional lattice trapping barriers to brittle fracture

Describes a project that uses

Uses Software

• BifurcationKit.jl

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