DOI: 10.1557/jmr.1995.2897. An atomistic study of brittle fracture: Toward explicit failure criteria from atomistic modeling

An atomistic study of brittle fracture: Toward explicit failure criteria from atomistic modeling

10.1557/jmr.1995.2897

Crossref journal-article

Springer Science and Business Media LLC

Journal of Materials Research (297)

Abstract

Atomistic techniques are used to study brittle fracture under opening mode and mixed mode loading conditions. The influence of the discreteness of the lattice and of the lattice-trapping effect on crack propagation is studied using an embedded atom potential for nickel to describe the crack tip. The recently developed FEAt (Finite Element-Atomistic) coupling scheme provides the atomistic core region with realistic boundary conditions. Several crystallographically distinct crack-tip configurations are studied and commonly reveal that brittle cracks under general mixed mode loading situations follow an energy criterion (G-criterion) rather than an opening-stress criterion (Kl-criterion). However, if there are two competing failure modes, they seem to unload each other, which leads to an increase in lattice trapping. Blunted crack tips are studied in the last part of the paper and are compared to the atomically sharp cracks. Depending on the shape of the blunted crack tip, the observed failure modes differ significantly and can drastically disagree with what one would anticipate from a continuum mechanical analysis.

Bibliography

Gumbsch, P. (1995). An atomistic study of brittle fracture: Toward explicit failure criteria from atomistic modeling. Journal of Materials Research, 10(11), 2897â2907.

Authors 1

Peter Gumbsch (first)

References 31 Referenced 111

10.1016/0920-2307(93)90001-U
10.1080/09500839108214654
10.1080/14786437508226544
{'key': 'S0884291400080134_ref015', 'first-page': '1', 'volume-title': 'Solid State Physics', 'volume': '39', 'author': 'Thomson', 'year': '1986'} / Solid State Physics by Thomson (1986)
10.1063/1.357759
21 Gumbsch P. and Beltz G.E. , unpublished.
10.1103/PhysRevB.33.7983
10.1063/1.1660699
10.1557/JMR.1991.2565
10.1103/PhysRevLett.73.272
10.1007/978-1-4613-3500-9_51
{'key': 'S0884291400080134_ref029', 'first-page': '387', 'volume': '3', 'author': 'Fuller', 'year': '1977', 'journal-title': 'Fracture 1977'} / Fracture 1977 by Fuller (1977)
10.1017/CBO9780511623127
{'key': 'S0884291400080134_ref013', 'first-page': '67', 'volume-title': 'Fracture', 'volume': '2', 'author': 'Sill', 'year': '1968'} / Fracture by Sill (1968)
10.1103/PhysRevB.46.10613
{'key': 'S0884291400080134_ref027', 'first-page': '191', 'volume-title': 'Fracture', 'volume': '2', 'author': 'Rice', 'year': '1968'} / Fracture by Rice (1968)
10.1098/rspa.1972.0102
10.1080/01418618208236930
10.1080/01418619108213953
10.1063/1.348735
10.1103/PhysRevB.47.7710
10.1103/PhysRevLett.72.852
10.1016/S0022-5096(05)80012-2
10.1080/01418619108204596
10.1016/0022-5096(94)90013-2
10.1016/0020-7683(67)90049-2
{'key': 'S0884291400080134_ref025', 'volume-title': 'Proceedings of the 4th International Conference on the Effect of Hydrogen on the Behavior of Materials', 'author': 'Baskes', 'year': '1990'} / Proceedings of the 4th International Conference on the Effect of Hydrogen on the Behavior of Materials by Baskes (1990)
10.1007/BF00032682
10.1016/0022-5096(94)90018-3
10.1016/0001-6160(85)90121-X
10.1103/PhysRevLett.65.2804

Dates

Type	When
Created	17 years, 10 months ago (Sept. 27, 2007, 8:26 a.m.)
Deposited	4 years, 6 months ago (Feb. 24, 2021, 4:57 p.m.)
Indexed	2 weeks, 4 days ago (Aug. 6, 2025, 8:53 a.m.)
Issued	29 years, 9 months ago (Nov. 1, 1995)
Published	29 years, 9 months ago (Nov. 1, 1995)
Published Online	14 years, 5 months ago (March 3, 2011)
Published Print	29 years, 9 months ago (Nov. 1, 1995)

Funders 0

None

BibTeX

@article{Gumbsch_1995, title={An atomistic study of brittle fracture: Toward explicit failure criteria from atomistic modeling}, volume={10}, ISSN={2044-5326}, url={http://dx.doi.org/10.1557/jmr.1995.2897}, DOI={10.1557/jmr.1995.2897}, number={11}, journal={Journal of Materials Research}, publisher={Springer Science and Business Media LLC}, author={Gumbsch, Peter}, year={1995}, month=nov, pages={2897–2907} }

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