Atomistic aspects of fracture

By E. Bitzek, James R. Kermode, Peter Gumbsch. International Journal of Fracture, 2015

161 citations recorded by the source corpus.

Any fracture process ultimately involves the rupture of atomic bonds. Processes at the atomic scale therefore critically influence the toughness and overall fracture behavior of materials. Atomistic simulation methods including large-scale molecular dynamics simulations with classical potentials, density functional theory calculations and advanced concurrent multiscale methods have led to new insights e.g. on the role of bond trapping, dynamic effects, crack-microstructure interactions and chemical aspects on the fracture toughness and crack propagation patterns in metals and ceramics. This review focuses on atomistic aspects of fracture in crystalline materials where significant advances have been achieved over the last ten years and provides an outlook on future perspectives for atomistic modelling of fracture.

Subfields: Materials Chemistry, Metals and Alloys

View Paper: https://www.semanticscholar.org/paper/92e37a7d67a16fe1cf40e64d01ea652ee46fee6c

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

Citations in the corpus

Machine Learning a General-Purpose Interatomic Potential for Silicon (2018, background): “The atomic-scale details of crack propagation prove particularly challenging to model, since sufficient accuracy to describe bond-breaking processes must be combined with large model systems to avoid unrealistic strain gradients [201].”