The Local Rearrangement of Tension Deformation in AlSi Amorphous Alloy: A Molecular Dynamics Study

Abstract

Al 100¹x Si x (x = 2, 4, 6, 8, 10) amorphous alloy models are constructed by using molecular dynamics (MD) simulations. In order to investigate the local rearrangement during the tension deformation, Honeycutt-Andersen (HA) method and Voronoi tessellation method are performed for the initial state, The HA method and the atomic local shear strain are used for the deformed states of the models. The structure of AlSi alloys is mainly amorphous structure. It is found that the Si element enhanced glass-forming ability. Moreover, the amorphous structure breaks and transforms into other tiny complex structure during the tension deformation. In addition, it is observed that the amorphous regions which preferentially undergo atomic rearrangement in the elastic stage and early plastic stage.

Histological and mechanical properties of laser-melted carbon nanotube-toughened Fe-based amorphous coatings

“…Where Δ𝐺 𝑣 is the difference between the Gibbs free energy of the liquid and solid phases, Δ𝐻 𝑓 is the enthalpy change of the liquid phase into the solid phase, Δ𝑆 𝑓 is the entropy change of the liquid phase into the solid phase, 𝑇 is the temperature, 𝑇 𝑚 is the melting point of the material, and Δ𝐶 𝑝 is the difference in the constant pressure specific heat capacity of the liquid and solid phases. According to the nucleation theory, it is known that when Δ𝐻 𝑓 the enthalpy change is smaller and Δ𝑆 𝑓 the entropy change is larger, Δ𝐺 𝑣 the free energy is smaller and the driving force for nucleation in the alloy liquid is smaller, making it easier to form amorphous alloys [16]. A least squares linear fit for the data points without Co and 𝑁𝑖 gives the following equation:…”