Zamora RJ1, Voter AF1, Perez D1, Perriot R2, Uberuaga BP2.
Phys Chem Chem Phys. 2016 Jul 20;18(29):19647-54. doi: 10.1039/c6cp03931f.Magnesium aluminate spinel (MgAl2O4), like many other ceramic materials, offers a range of technological applications, from nuclear reactor materials to military body armor. For many of these applications, it is critical to understand both the formation and evolution of lattice defects throughout the lifetime of the material. We use the Speculatively Parallel Temperature Accelerated Dynamics (SpecTAD) method to investigate the effects of di-vacancy and di-interstitial formation on the mobility of the component defects. Read More