Аморфизация кремниевых нанонитей при облучении ионами аргона

The irradiation of silicon nanowires with Ar+ ions with an energy of 250 keV and fluences from 1013 cm^-2 to 10^16 cm^-2 was carried out. The dependence of the destruction of the structure under the action of ion irradiation on the fluence is investigated by the Raman spectroscopy. It is shown that the amorphization of porous silicon occurs at higher dpa values than in thin silicon thin films.

Structural optimization of silicon thin film for thermoelectric materials

The method to optimize nanostructures of silicon thin films as thermoelectric materials is developed. The simulated annealing method is utilized for predicting the optimized structure. The mean free path and thermal conductivity of thin films, which are the objective function of optimization, is evaluated by using phonon transport simulations and lattice dynamics calculations. In small systems composed of square lattices, the simulated annealing method successfully predicts optimized structure corroborated by an exhaustive search. This fact indicates that the simulated annealing method is an effective tool for optimizing nanostructured thin films as thermoelectric materials.

A Multiphysics Peridynamic Model for Simulation of Fracture in Si Thin Films during Lithiation/Delithiation Cycles

Material failure is the main obstacle in fulfilling the potential of electrodes in lithium batteries. To date, different failure phenomena observed experimentally in various structures have become challenging to model in numerical simulations. Moreover, their mechanisms are not well understood. To fill the gap, here we develop a coupled chemo-mechanical model based on peridynamics, a particle method that is suitable for simulating spontaneous crack growth, to solve the fracture problems in silicon thin films due to lithiation/delithiation. The model solves mechanical and lithium diffusion problems, respectively, and uses a coupling technique to deal with the interaction between them. The numerical examples of different types of Si films show the advantage of the model in this category and well reproduce the fracture patterns observed in the experiments, demonstrating that it is a promising tool in simulating material failure in electrodes.