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- W1593724761 abstract "Abstract Background We present a robust method to obtain the displacement field of a dislocation core, which is one of the building blocks for the development of a direct multiscale method coupling an atomistic domain to a discrete dislocation dynamics engine in 3D (e.g. CADD3D). Methods The core structure is achieved by modeling of a straight dislocation with an arbitrary mixed angle using atomistic simulation. In order to validate the obtained atomistic core structures, a variational Peierls-Nabarro method is extended to include arbitrary characters. Results Both methods show comparable dislocation core structures for all studied angles. We provide also the Peierls stress for a wide range of character angles. Conclusions The obtained displacement fields for the dislocation cores were fully validated. These can consequently be employed to construct the described CADD3D coupling scheme." @default.
- W1593724761 created "2016-06-24" @default.
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- W1593724761 date "2015-06-18" @default.
- W1593724761 modified "2023-10-16" @default.
- W1593724761 title "Toward a 3D coupled atomistic and discrete dislocation dynamics simulation: dislocation core structures and Peierls stresses with several character angles in FCC aluminum" @default.
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- W1593724761 doi "https://doi.org/10.1186/s40323-015-0028-6" @default.
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