T0101-3-1 原子論的シミュレーションによる多層グラフェンナノブリッジの解析([T0101-3]マイクロ・ナノ材料システムの力学と強度・機能評価(3):先端材料システムの強度・機能解析(マクロ～マイクロ・ナノ))

抄録

Graphene is a single atomic layer of graphite which has two dimensional honeycomb structure. Although its structure is very simple, graphene has extraordinary physical properties. Its edge has a characteristic configuration called armchair (AC) or zigzag (ZZ). Graphene nanoribbons (GNRs) of various aspect ratios are equilibrated at low temperatures. The total energies of the multi-layered GNRs decrease with the increase of the number of layers and tensile strain. The amplitudes of out-of-plane deformations of the multi-layered GNRs decrease with the increase of the tensile strain.