The influence of complex thermal treatment on mechanical properties of amorphous materials

Computational Materials Science. 2019. Vol. 161. P. 93–98.

Priezjev N., Liu Q.

We study the effect of periodic, spatially uniform temperature variation on mechanical properties and structural relaxation of amorphous alloys using molecular dynamics simulations. The disordered material is modeled via a non-additive binary mixture, which is annealed from the liquid to the glassy state with various cooling rates and then either aged at constant temperature or subjected to thermal treatment. We found that in comparison to aged
samples, thermal cycling with respect to a reference temperature of approximately half the glass transition temperature leads to more relaxed states with lower levels of potential energy.  The largest energy decrease was observed for rapidly quenched glasses cycled with the thermal amplitude slightly smaller than the reference
temperature. Following the thermal treatment, the mechanical properties were probed via uniaxial tensile strain at the reference temperature and constant pressure.  The numerical results indicate an inverse correlation between the levels of potential energy and values of the elastic modulus and yield stress as a function of the
thermal amplitude.

Keywords: Mechanical properties of materials, metallic glasses, molecular dynamics simulations

Publication based on the results of: Supercomputer technologies of atomic modeling in the material science and physics of biomembranes (2019)