Atomistic aspects of fracture

Bitzek E, Kermode JR, Gumbsch P (2015)

Publication Type: Journal article

Publication year: 2015

Journal

International Journal of Fatigue Elsevier

Book Volume: 191

Pages Range: 13-30

Journal Issue: 1-2

DOI: 10.1007/s10704-015-9988-2

Abstract

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.

Authors with CRIS profile

Erik Bitzek Professur für Datenbasierte Materialmodellierung

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials Lehrstuhl für Werkstoffwissenschaften (Allgemeine Werkstoffeigenschaften)

Related research project(s)

Plastic deformation, crack nucleation and fracture in lightweight intermetallic composite materials (EXC315 EAM (A3-7)) Exzellenz-Cluster Engineering of Advanced Materials Nov. 1, 2007 - Oct. 31, 2017

Involved external institutions

King’s College London GB United Kingdom (GB) Fraunhofer-Institut für Werkstoffmechanik (IWM) / Fraunhofer Institute for Mechanics of Materials DE Germany (DE)

How to cite

APA:

Bitzek, E., Kermode, J.R., & Gumbsch, P. (2015). Atomistic aspects of fracture. International Journal of Fatigue, 191(1-2), 13-30. https://doi.org/10.1007/s10704-015-9988-2

MLA:

Bitzek, Erik, James R. Kermode, and Peter Gumbsch. "Atomistic aspects of fracture." International Journal of Fatigue 191.1-2 (2015): 13-30.

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