1. Atomic-scale simulations
This paragraph describes the basic concepts of the molecular dynamics models used to treat metal plasticity. Readers wishing to know more about the method can consult the reference [1] published in Techniques de l'Ingénieur.
The physical and mechanical properties of materials derive directly from their atomic structure and the nature of the bonds between atoms. There are five families of interatomic bonds:
the ionic bond found, for example, in ceramics (MgO, Al2O3) or in ionic crystals (NaCl, CsCl) ;
the covalent bond, found in polymers and diamond (carbon-carbon bond) and also in the semi-conductors used in microelectronics Si, Ge, GaAs ;
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Atomic-scale simulations