Displaying similar documents to “Material symmetry in slightly defective crystals.”

Molecular modelling of stresses and deformations in nanostructured materials

Gwidon Szefer (2004)

International Journal of Applied Mathematics and Computer Science

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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 10^5 atoms forming a sheet undergoing tension (Case 1) and contraction (Case 2) is given. Characteristic microstress distributions evoked...

Atomistic to Continuum limits for computational materials science

Xavier Blanc, Claude Le Bris, Pierre-Louis Lions (2007)

ESAIM: Mathematical Modelling and Numerical Analysis

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The present article is an overview of some mathematical results, which provide elements of rigorous basis for some multiscale computations in materials science. The emphasis is laid upon atomistic to continuum limits for crystalline materials. Various mathematical approaches are addressed. The setting is stationary. The relation to existing techniques used in the engineering literature is investigated.