Geodesic
Molecular Modelling of Stresses and Deformations in Nanostructured Materials
International Journal of Applied Mathematics and Computer Science, Tome 14 (2004) no. 4, pp. 541-548.

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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 105 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.
Keywords: molecular modelling, deformation analysis, stress analysis, nanostructured material
Mots-clés : modelowanie molekularne, analiza deformacji, analiza naprężeń, materiał nanostrukturalny 
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Szefer, G. Molecular Modelling of Stresses and Deformations in Nanostructured Materials. International Journal of Applied Mathematics and Computer Science, Tome 14 (2004) no. 4, pp. 541-548. http://geodesic.mathdoc.fr/item/IJAMCS_2004_14_4_a9/

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