Molecular Modelling of Stresses and Deformations in Nanostructured Materials

• Autorzy: Szefer G.
• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

molecular modelling; deformation analysis; stress analysis; nanostructured material

PL

modelowanie molekularne; analiza deformacji; analiza naprężeń; materiał nanostrukturalny

• Wydawca: Oficyna Wydawnicza Uniwersytetu Zielonogórskiego
• Czasopismo: International Journal of Applied Mathematics and Computer Science
• Rocznik: 2004
• Tom: Vol. 14, no 4
• Strony: 541--548
• Opis fizyczny: Bibliogr. 13 poz., rys., wykr.

Twórcy

autor

Szefer G.

• Institute of Structural Mechanics, AGH University of Science and Technology ul. Warszawska 24, 31-155 Cracow, Poland,

Bibliografia

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• [13] Szefer G. (2003): Molecular stress analysis in nanostructural materials.—Proc. Conf. Computer Meth. Mech., Gliwice, Poland, (in Polish).