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Analysis of space correlations in a model 2D liquid through eigenvalues and eigenvectors of atomic level stress matrices | | V.A. Levashov
; M.G. Stepanov
; | | Date: |
Wed, 22 Apr 2015 05:24:40 GMT (1812kb,D) | | Abstract: | Considerations of local atomic level stresses associated with each atom
represent a particular approach to address structures of disordered materials
at the atomic level. We studied structural correlations in a two-dimensional
model liquid using molecular dynamics simulations in the following way: We
diagonalized the atomic level stress tensors of every atom and investigated
correlations between the eigenvalues and orientations of the eigenvectors of
different atoms as a function of distance between them. It is demonstrated that
the suggested approach can be used to characterize structural correlations in
disordered materials. In particular, we found that changes in the stress
correlation functions with decrease of temperature are the most pronounced for
the pairs of atoms with separation distance that corresponds to the first
minimum in the pair density function. We also show that angular dependencies of
the stress correlations previously reported in [Phys. Rev. E v.91, 032301
(2015)] are not related to the alleged properties of the stress field, but are
a trivial consequence of the rotational properties of the stress tensor. | | Source: | arXiv, 1504.5658 | | Services: | Forum | Review | PDF | Favorites | |
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