Atomistic and Multi-scale Continuum Modelling of Nanomaterial Systems

纳米技术的研究正在受到全世界的关注，由于其在不同领域的特殊应用潜力，如先进材料，信息和通信技术，医学，农业等纳米技术是设计，表征，生产和应用的材料，结构，设备和系统，通过控制其形状和尺寸在纳米尺度。纳米材料被分类为具有至少一维在1-100 nm范围内的结构化组分的那些。在过去的二十年中，两项诺贝尔奖被授予与纳米技术有关的发现（富勒烯和石墨烯的发现）。该提案涉及碳基纳米材料，特别是石墨烯纳米带和碳纳米管增强水泥复合材料的力学行为的建模。石墨烯已被确定为21世纪的神奇材料，近年来，实验室演示了由石墨烯制成的革命性新材料和设备。三个博士学生将在该项目中接受培训，以使用先进的数值模拟工具来推进石墨烯机械响应的建模。他们将开发新的软件工具来模拟由单层和少层石墨烯制成的谐振器的行为，并研究碳纳米管增强水泥材料的界面行为和有效特性。该项目的研究结果将有利于加拿大信息和通信技术、电子、精密工程和新型建筑材料等领域的先进技术公司。研究结果将通过会议介绍、国际研究期刊和与潜在行业用户的互动传播。

Nanotechnology research is receiving worldwide attention due to its potential for extraordinary applications in areas as diverse as advanced materials, information and communication technology, medicine, agriculture, etc. Nanotechnologies are the design, characterization, production and application of materials, structures, devices and systems by controlling their shape and size at the nanometer scale. Nanomaterials are categorized as those that have structured components with at least one dimension in the 1-100 nm range. Over the past two decades, two Nobel prizes were awarded to discoveries that are connected to nanotechnology (discovery of fullerene and graphene). This proposal is concerned with Carbon-based nanomaterials, especially the modelling of mechanical behaviour of graphene nanoribbons and carbon nanotube reinforced cement composites. Graphene has been identified as the wonder material of the 21st century, and laboratory demonstrations of revolutionary new materials and devices made out of graphene have been made in recent years. Three Ph.D. students will be trained in this project to advance the modelling of mechanical response of graphene using advanced numerical simulation tools. They will develop new software tools to model the behaviour of resonators made of single and few-layer graphene and study the interface behaviour and effective properties of carbon nanotubes reinforced cement materials. The findings of this project will be beneficial to Canadian advanced technology companies in information and communication technology, electronics, precision engineering and novel construction materials. The results will be disseminated through conference presentations, international research journals and interaction with potential industry users.