The DOI matches its Crossref record; 11 of the 11 references it cites were found in a registry or an index.
Automated identification and indexing of dislocations in crystal interfaces
Abstract
We present a computational method for identifying partial and interfacial dislocations in atomistic models of crystals with defects. Our automated algorithm is based on a discrete Burgers circuit integral over the elastic displacement field and is not limited to specific lattices or dislocation types. Dislocations in grain boundaries and other interfaces are identified by mapping atomic bonds from the dislocated interface to an ideal template configuration of the coherent interface to reveal incompatible displacements induced by dislocations and to determine their Burgers vectors. In addition, the algorithm generates a continuous line representation of each dislocation segment in the crystal and also identifies dislocation junctions.
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Cites
A note on two problems in connexion with graphs
Dijkstra, E. W. (1959) · Numerische Mathematik · doi:10.1007/bf01386390 · Cited by 24,043
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
Stukowski, A. (2010) · Modelling and Simulation in Materials Science and Engineering · doi:10.1088/0965-0393/18/1/015012 · Cited by 16,608
Self-citationHirth, J. P., & Lothe, J. (1968) · Medical Entomology and Zoology · Cited by 9,770
Molecular dynamics study of melting and freezing of small Lennard-Jones clusters
Honeycutt, J. D., & Andersen, H. C. (1987) · The Journal of Physical Chemistry · doi:10.1021/j100303a014 · Cited by 3,257
Theory of crystal dislocations
Nabarro, F. R. N. (1967) · CERN Document Server (European Organization for Nuclear Research) · Cited by 2,039
2 Structure identification methods for atomistic simulations of crystalline materialsPreprint
Stukowski, A. (2016) · Cited by 1,405
Self-citationSurvey of computed grain boundary properties in face-centered cubic metals: I. Grain boundary energy
Olmsted, D. L., Foiles, S. M., & Holm, E. A. (2009) · Acta Materialia · doi:10.1016/j.actamat.2009.04.007 · Cited by 759
Dislocation detection algorithm for atomistic simulations
Stukowski, A., & Albe, K. (2010) · Modelling and Simulation in Materials Science and Engineering · doi:10.1088/0965-0393/18/2/025016 · Cited by 217
Self-citationCharacterization and visualization of the lattice misfit associated with dislocation cores
Hartley, C. S., & Mishin, Y. M. (2004) · Acta Materialia · doi:10.1016/j.actamat.2004.11.027 · Cited by 166
On the elastic–plastic decomposition of crystal deformation at the atomic scale
Stukowski, A., & Arsenlis, A. (2012) · Modelling and Simulation in Materials Science and Engineering · doi:10.1088/0965-0393/20/3/035012 · Cited by 113
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Cited by
Unsupervised machine learning in atomistic simulations, between predictions and understanding
Ceriotti, M. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5091842 · Cited by 173
Metadata
- Authors
- Stukowski, A., Bulatov, V. V., & Arsenlis, A.
- Venue
- Modelling and Simulation in Materials Science and Engineering
- Publisher
- IOP Publishing
- Published
- 2012-10-31
- Volume
- 20
- Issue
- 8
- Pages
- 085007
- ISSN
- 0965-0393 (ISSN-L)
- 1361-651X
- OpenAlex
- W2150492737
- Cited by
- 2,375
- References
- 11
- FWCI
- 7.10
- Type
- journal article
- Language
- en
- Open access
- closed
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- Stukowski, A., Bulatov, V. V., & Arsenlis, A. (2012). Automated identification and indexing of dislocations in crystal interfaces. Modelling and Simulation in Materials Science and Engineering. https://doi.org/10.1088/0965-0393/20/8/085007
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