The behavior of stress correlations and glass transition temperature in liquid aluminum at cooling and heating process
Molecular dynamics study of stress correlations and shear viscosity behavior of the rapidly cooled and re-heated liquid aluminum film is performed. The embedded atom method potential is used at the simulations. The stress correlation behavior is studied in the plane of the film and along the direction normal to the plane. The behavior of the kinematic viscosity and the stress correlationsare compared for cooling and heating process. Using two methods it is shown that the glass transition temperature for the cooling process is higher than for the heating.
We investigate the effect of a single heat treatment cycle on the potential energy states and mechanical properties of metallic glasses using molecular dynamics simulations. We consider the three-dimensional binary mixture, which was initially cooled with a computationally slow rate from the liquid state to the solid phase at a temperature well below the glass transition. It was found that a cycle of heating and cooling can relocate the glass to either rejuvenated or relaxed states, depending on the maximum temperature and the loading period. Thus, the lowest potential energy is attained after a cycle with the maximum temperature slightly below the glass transition temperature and the effective cooling rate slower than the initial annealing rate. In contrast, the degree of rejuvenation increases when the maximum temperature becomes greater than the glass transition temperature and the loading period is sufficiently small. It was further shown that the variation of the potential energy is inversely related to the dependence of the elastic modulus and the yield stress as functions of the maximum loading temperature. In addition, the heat treatment process causes subtle changes in the shape of the radial distribution function of small atoms. These results are important for optimization of thermal and mechanical processing of metallic glasses with predetermined properties.
In this study, the glass transition criteria based on the viscosity change and on the transverse sound propagation, that were obtained for the aluminum melt, are validated on the aluminum–copper film. Molecular dynamics method is used to study the isobaric cooling process. The glass transition temperature is estimated from the dependence of the oscillation damping upon the temperature. The obtained temperature compared with the increasing in the kinematic viscosity.
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.
The dynamics of a two-component Davydov-Scott (DS) soliton with a small mismatch of the initial location or velocity of the high-frequency (HF) component was investigated within the framework of the Zakharov-type system of two coupled equations for the HF and low-frequency (LF) fields. In this system, the HF field is described by the linear Schrödinger equation with the potential generated by the LF component varying in time and space. The LF component in this system is described by the Korteweg-de Vries equation with a term of quadratic influence of the HF field on the LF field. The frequency of the DS soliton`s component oscillation was found analytically using the balance equation. The perturbed DS soliton was shown to be stable. The analytical results were confirmed by numerical simulations.
Radiation conditions are described for various space regions, radiation-induced effects in spacecraft materials and equipment components are considered and information on theoretical, computational, and experimental methods for studying radiation effects are presented. The peculiarities of radiation effects on nanostructures and some problems related to modeling and radiation testing of such structures are considered.