Application of nonlocal continuum mechanics in modeling of carbon nanotubes and graphenes

非局域连续介质力学在碳纳米管和石墨烯建模中的应用

• 批准号: 341060-2012
• 负责人: Wang, Quan
• 金额: $ 2.26万
• 依托单位: University of Manitoba
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2014
• 资助国家: 加拿大
• 起止时间: 2014-01-01 至 2015-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=549270
• 关键词: Application; nonlocal; continuum; mechanics; modeling

Claimed to be "wonder material", graphene is a super-strong and transparent form of carbon with one atom thickness which can be used in solar panels and lightweight composites. A carbon nanotube is a cylinder made of graphene. Carbon nanotubes (CNTs) and graphenes have been discovered to hold great potential for countless technology innovations and applications, such as extremely lightweight and strong fabrics, chemical sensors, electrical sensors, fuel cells, and drug delivery. Unfortunately, their prompt and wide applications are hindered by insufficient understanding of their mechanical behaviour due to limitations of two major traditional approaches for graphene and CNTs modelling: atomistic modelling such as classical molecular dynamics which is usually limited to small scale calculations and local continuum mechanics which have limited applicability due to the fact that at small size the lattice spacing between individual atoms becomes increasingly important and the theory cannot account for the scale effect.

石墨烯被称为“神奇材料”，是一种超级强大和透明的碳形式，具有一个原子厚度，可用于太阳能电池板和轻质复合材料。碳纳米管是由石墨烯制成的圆柱体。碳纳米管（CNT）和石墨烯已被发现在无数技术创新和应用中具有巨大潜力，例如极轻且坚固的织物、化学传感器、电传感器、燃料电池和药物输送。不幸的是，由于石墨烯和CNT建模的两种主要传统方法的限制，对它们的机械行为的理解不足，阻碍了它们的迅速和广泛的应用：原子模型，例如通常限于小尺度计算的经典分子动力学和由于在小尺寸下单个原子之间的晶格间距变得这一理论不能解释规模效应。