A modified embedded atom method for the corundum and the bixbyite forms of alumina: Bulk and surface studies

A molecular dynamics study of bond strength and interface conditions in the Al/Al2O3 metal–ceramic composites

“…Among all metal/ceramic composites, Al=Al 2 O 3 has been of considerable interest because of its extensive use in various application such as, microelectronics, coatings, protection against wear and corrosion purposes [7][8][9][10][11][12]. Recently, several efforts have been devoted to the investigation of the interface properties between particles and matrix in Al=Al 2 O 3 composite.…”

“…The investigations indicate that the Al monolayer is the most stable termination of the corundum phase [12,[22][23][24]. Using MD simulations based on MEAM potential, Sekkal and Zaoui investigated the structure and free surface energy of corundum and bixbyite phases of Al 2 O 3 [10]. They reported that there is just a negligible difference between the equilibrium energy of the two phases.…”

Charge optimized many-body potential for aluminum

“…While EAM parameters exist for non-metallic materials, it is not the preferred approach for these systems because of its lack of terms to address bond directionality [22]. Additionally, while MEAM potentials have been recently developed for Al 2 O 3 [23], their exclusion of explicit Coulombic interactions and atomic charge limits the problems to which they may be applied.…”