关键词: 分子动力学模拟, 原子级存储, 体心立方晶体, 原子操纵

Abstract: Molecular dynamics simulations were performed to study the atomic behaves in the surface and deeper layers of body-centered cubic(bcc) crystal, with the Morse potential denoting the interactions among the atoms. Results indicate that the bcc crystal remains stable before and after the central atom is manipulated. That is, the bcc cyrstal possesses the property of double steady states, which is capable of representing ‘0’ and ‘1’. At the same time, many-atomed combination of double steady states was investigated by the molecular dynamics simulations method. In the case of the many-atomed combination of double steady states, the bcc crystal still remains stable when manipulating other central atoms. Based on the facts given above, a novel way to achieve atomic-scale memory is put forward, which has the advantages of higher availability, better repetitiousness and stability.

Key words: molecular dynamics simulation, atomic-scale memory, bcc crystal, atom manipulation