Aiichiro Nakano

TL;DR: In this paper, a parallel molecular-dynamics approach based on dynamic charge transfer among atoms was used for aluminum nanoclusters to investigate the negative pressure in the oxide which dominates the positive pressure due to steric forces.

TL;DR: In this article, an effective interatomic interaction potential for SiC is proposed, which consists of two-body and three-body covalent interactions, including steric repulsions due to atomic sizes, Coulomb interactions resulting from charge transfer between atoms, charge-induced dipole-interactions due to the electronic polarizability of ions, and induced dipoledipole (van der Waals) interactions.

TL;DR: Simulations of indentation of nanocrystalline silicon carbide reveals unusual deformation mechanisms in brittle nanophase materials, resulting from the coexistence of brittle grains and soft amorphous grain boundary phases, critical for the design of ceramics with superior mechanical properties.

TL;DR: A recently developed interaction potential consisting of long-range Coulomb interactions, the effect of electronic polarizability, and three-body covalent forces is used in the molecular-dynamics study of the vitreous state.

TL;DR: In this paper, a review of atomistic aspects of dynamic fracture in a variety of brittle crystalline, amorphous, nanophase, and nanocomposite materials are reviewed.