Molecular Dynamic Simulation of Lattice Distortion Region Produced by Rounded Grain Boundary in Nano

• 作 者: XiaoweiWANG J.Rifkin 等
• 机 构: ShenyangNationalLaboratoryforMaterialsScience,InstituteofMaterialsScience
• 出 处: 材料科学技术：英文版
• 发表日期: 2002年3期
• 关键词: 纳米材料 晶体材料 镍铝合金 结构 分子动力学模拟 Molecular dynamic simulation Nanocrystalline Distort
• 基金项目: 国家自然科学基金，国家重点基础研究发展计划(973计划)

The distortion structure in nanocrystalline NiAl is studied using molecular dynamics simulation. The rounded grain boundaries in these nanograins are a direct source for the observed lattice distortion. The change of grain size affects directly the volume