Friction-induced
surface amorphization of silicon is one of the
most important surface wear and damage forms, changing the material
properties and harming the reliability of silicon-based devices. However,
knowledge regarding the amorphization mechanisms as well as the effects
of temperature is still insufficient, because the experimental measurements
of the crystal–amorphous interface structures and evolutions
are extremely difficult. In this work, we aim to fully reveal the
temperature dependence of silicon amorphization behaviors and relevant
mechanisms by using reactive molecular dynamics simulations. We first
show that the degree of amorphization is suppressed by the increasing
temperature, contrary to our initial expectations. Then, we further
revealed that the observed silicon amorphization behaviors are attributed
to two independent processes: One is a thermoactivated and shear-driven
amorphization process where the theoretical amorphization rate shows
an interesting valley-like temperature dependence because of the competition
between the increased thermal activation effect and the reduction
of shear stress, and another one is a thermoactivated recrystallization
process which shows a monotonically increasing trend with temperature.
Thus, the observed reduction of amorphization with temperature is
mainly due to the recrystallization effect. Additionally, analytical
models are proposed in this work to describe both the amorphization
and the recrystallization processes. Overall, the present findings
provide deep insights into the temperature-dependent amorphization
and recrystallization processes of silicon, benefiting the further
development of silicon-based devices and technologies.