A molecular dynamics approach to the deformation and stress analysis in structured materials is presented. A new deformation measure for a lumped mass system of points is proposed. In full consistency with the continuum mechanical description, three kinds of stress tensors for the discrete system of atoms are defined. A computer simulation for a set of 10^5 atoms forming a sheet undergoing tension (Case 1) and contraction (Case 2) is given. Characteristic microstress distributions evoked by a crack propagation illustrate the mechanical problem considered.
@article{bwmeta1.element.bwnjournal-article-amcv14i4p541bwm,
author = {Szefer, Gwidon},
title = {Molecular modelling of stresses and deformations in nanostructured materials},
journal = {International Journal of Applied Mathematics and Computer Science},
volume = {14},
year = {2004},
pages = {541-548},
zbl = {1137.74427},
language = {en},
url = {http://dml.mathdoc.fr/item/bwmeta1.element.bwnjournal-article-amcv14i4p541bwm}
}
Szefer, Gwidon. Molecular modelling of stresses and deformations in nanostructured materials. International Journal of Applied Mathematics and Computer Science, Tome 14 (2004) pp. 541-548. http://gdmltest.u-ga.fr/item/bwmeta1.element.bwnjournal-article-amcv14i4p541bwm/
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