Comment on “Elastic constants from microscopic strain fluctuations”

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Comment on "Elastic constants from microscopic strain fluctuations".

Sengupta [Phys. Rev. E 61, 1072 (2000)] presented an elegant and simple finite-size scaling method for the calculation of elastic constants and their corresponding correlation lengths, which is suitable for many finite discrete systems considered through simulations or experiments. We take into account a mathematical finite-size effect that was neglected by the authors in order to propose a mor...

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Elastic constants from microscopic strain fluctuations

Fluctuations of the instantaneous local Lagrangian strain epsilon(ij)(r,t), measured with respect to a static "reference" lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse-grained by averaging them within subsystems (of size L(b)) of a system (of total size L) in the canonic...

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ژورنال

عنوان ژورنال: Physical Review E

سال: 2010

ISSN: 1539-3755,1550-2376

DOI: 10.1103/physreve.81.013101