Atomistic model of metal nanocrystals with line defects: contribution to diffraction line profile
Molecular Dynamics (MD) was used to simulate cylindrical Pd and Ir domains with ideal dislocations parallel to the axis. Results show significant discrepancies with respect to predictions of traditional continuum mechanics. When MD atomistic models are used to generate powder diffraction patterns, s...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2015-02-01
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| Series: | Frontiers in Materials |
| Subjects: | |
| Online Access: | http://journal.frontiersin.org/Journal/10.3389/fmats.2014.00037/full |