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Microstrain in nanocrystalline solids under load by virtual diffraction

: Markmann, J.; Bachurin, D.; Shao, L.; Gumbsch, P.; Weissmüller, J.

Postprint urn:nbn:de:0011-n-1726128 (1.4 MByte PDF)
MD5 Fingerprint: 9ee60ddf7c6dbcdc8ac0479de09dde6b
Erstellt am: 30.3.2012

epl. A letters journal exploring the frontiers of physics 89 (2010), Nr.6, Art. 66002, 6 S.
ISSN: 0302-072X
ISSN: 0295-5075
ISSN: 1286-4854
Zeitschriftenaufsatz, Elektronische Publikation
Fraunhofer IWM ()

We propose a method for computing virtual X-ray diffractograms for nanocystalline materials under uniaxial load based on molecular-dynamics simulation data. While the increase in diffraction microstrain during deformation is generally taken as evidence for the generation of lattice dislocations, our virtual diffraction data show extra microstrain even at small load, before the onset of lattice dislocation activity. We show that the microstrain data have a natural explanation in the elastic response of a heterogeneous medium. The results imply that the conclusions of previous experimental in situ diffraction data for nanocystalline metals may deserve a critical examination.