On mechanical characteristics of nanocrystals

The dependence of the elastic moduli of a nanocrystal on its size is investigated theoretically with reference to a two-dimensional single-crystal strip. It is shown that the uncertainty (of a fundamental nature) in the size of a nanocrystal causes the determination of many of its mechanical characteristics to be ambiguous. It is found that the Cauchy-Green relations are modified and the elastic-constant tensor ceases to be symmetric; the size and shape of a nanocrystal render its mechanical properties more anisotropic. For a single-crystal strip, the Poisson ratio decreases and the Young modulus increases with decreasing thickness of the strip; in the case of a very thin crystal film (two atomic layers thick), these elastic moduli can differ from their macroscopic values by a factor of two. The size effects which make the continuum elasticity theory inapplicable to nanocrystals are estimated. The size effects that occur when the molecular dynamics method is applied for modeling macroscopic objects are also discussed. (C) 2002 MAIK "Nauka/Interperiodica".