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2004 | 14 | 4 | 541-548
Tytuł artykułu

Molecular modelling of stresses and deformations in nanostructured materials

Autorzy
Treść / Zawartość
Warianty tytułu
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 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.
Rocznik
Tom
14
Numer
4
Strony
541-548
Opis fizyczny
Daty
wydano
2004
otrzymano
2004-06-01
poprawiono
2004-09-01
Twórcy
  • Institute of Structural Mechanics, AGH University of Science and Technology, ul. Warszawska 24, 31-155 Cracow, Poland
Bibliografia
  • Andersen H. (1980): Molecular dynamics simulation at constant pressureandor temperature. - J. Chem. Phys., Vol. 72, No. 4, pp. 2384-2390
  • Cleland A. (2003): Foudations of Nanomechanics. - Berlin: Springer.
  • Egami T. and Srolovitz D. (1982): Local structural fluctuations in amorphous and liquid metals: A simple theory of the glass transition. - J. Phys. F: Metal Phys., Vol. 12, pp. 2141-2163.
  • Heermann D. (1997): Foundations of Computer Simulations in Physics. -Warsaw: WNT (in Polish).
  • Nalva H.S. (Ed.) (2000): Handbook of Nanostructured Materials and Nanotechnology, Vols. 1-5. - Academic Press.
  • Ortiz M. and Phillips R. (1999): Nanomechanics of defects in solids.- Adv. Appl. Mech., Vol. 36, pp. 1-79.
  • Parrinello M. and Rahman A. (1980): Crystal structure and pair potentials: A molecular dynamics study. - Phys. Rev. Letters, Vol. 45, No. 14, p. 1196.
  • Ray J. (1983): Molecular dynamics equations of motion for system varying in shape and size. - J. Chem. Phys., Vol. 79, No. 10.
  • Ribarsky M. and Landman U. (1988): Dynamical simulation of stress, strain and finite deformations. - Phys. Rev. B, Vol. 38, No. 14, pp. 9522-95370.
  • Singer I. and Pollock H. (Eds). (1992): Fundamentals of Friction. - Dordrecht: Kluwer.
  • Sunyk R. and Steinmann P. (2001): Mixed continuum-atomistic analysis of single crystals, In: Zur Beschreibung komplexen Materialverhaltens: Beiträge zur Festschrift anläßlich des 50. Geburtstag von Herrn Prof. Dr.-Ing. W. Ehlers (S. Diebels, Ed.).— Stuttgart: Univ. Stuttgart.
  • Szefer G. (2000): Foundations of nanomechanics of materials.- Proc. 19-th Symp. Exp. Mech. Solids, Jachranka, Poland, (in Polish).
  • Szefer G. (2003): Molecular stress analysis in nanostructural materials. - Proc. Conf. Computer Meth. Mech., Gliwice, Poland, (in Polish).
Typ dokumentu
Bibliografia
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bwmeta1.element.bwnjournal-article-amcv14i4p541bwm
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