In this paper, the structural and electrical properties in MgSiO3 liquid are investigated by means of molecular dynamics simulation at 3200 K, in the range 0÷30 GPa. The simulation indicates that the structure of MgSiO3 liquid contains MgOy units (y = 3÷9). They have a tendency t...
Open access
Research Article10.9734/ajacr/2026/v17i1384
In this paper, we present the results of a molecular dynamics simulation for SiO2 liquid to study the correlation between structural and dynamics heterogeneity. The evolution of structural changes at higher temperatures has been analyzed through the help of the SiOx- and OSiy uni...
Open access
Research Article10.9734/ajacr/2025/v16i2336
In this paper, the structural phase transitions, degree of polymerization, and dynamics characteristics in liquid magnesium silicate (Mg2SiO4) under pressure have been studied using molecular dynamics (MD) simulation. The results indicate that the structure of Mg2SiO4 liquid incl...
Open access
Research Article10.9734/ajacr/2024/v15i3290
Local structure and tracer diffusion mechanism in amorphous Fe and Fe80B20 solids is studied using the statistic relaxation (SR) model containing 2×105 atoms. It was found a large number of bubbles which could break-up and leads to diffusion. A bubble diffusion mechanism is propo...
Open access
Research Article10.9734/BJAST/2013/3788