Nanodevice lifetime prediction - the challenge for nano- and micromechanics

摘要

The main challenges in predicting the lifetime of nanoelements and nanodevices, as well as key physical effects that govern this lifetime are considered. An approach is proposed for predicting the lifetime of such objects, which is based on the original model of the fluctuation-induced interatomic bond break under the action of a force field. This model doesn't contain any empirical constants; the atomic interaction parameters for this model are determined by first-principle (DFT) calculations. The existence of two mechanisms for nanoelement failure is predicted, namely: (i) high-energy and (ii) low-energy. The kinetics of these mechanisms is demonstrated by the example of carbyne-graphene nanoelements, which are graphene sheets connected by a carbyne chain. The transition from the first to the second mechanism is manifested in decrease (by many orders of magnitude) in the lifetime of nanoelements. This is a consequence of the synergistic effect of the force field and thermal fluctuations of atomic displacements. The existence of a quantum-mechanical effect is predicted for the lifetime of nanoelements, which consists in the dependence of the lifetime on whether the number of atoms in a carbyne chain is even or odd ("even-odd" effect).