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Nanomechanics of Graphene and Nanocrystals

机译:石墨烯和纳米晶体的纳米力学

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Nanomechanics understandings for nanostructures are critical not only for their integrity concerns but also for their utilization. Attention here is focused on two types of low-dimensional materials, graphene and nanocrystals, with characteristic lengths in nanometers or even angstrom scales. In nanocrystals, the dislocation mechanism is suppressed, and their plasticity is dictated by diffusive atomistic flow along the grain boundaries. Nanomechanics models are developed for the plastic flow and fracture in nanocrystals. Simulations based on micro-structural evolution demonstrate the capability in predicting the brittle versus ductile transition of nanocrystal. To put this mechanism into atomistic images, in-situ tests of nano-crystalline gold were performed under HRTEM. We observe atoms flow along certain atomistic planes of the crack faces to facilitate the advance of the crack. This diffusion assisted mode, along with GB cavitations and cleavage, give a complete spectrum of defect evolutions in nanocrystals. Aside from the danger of degrading the nanostructures, defects in graphene may serve to enrich its functions. The functioning of pristine graphene is rather limited for exploration. Doping of graphene, however, can be achieved around their defects, such as vacancies and edges. We study the defect creation and evolution in graphene. A two-step method was devised for atomic doping of graphene: the first step consists of creating holes and vacancies in graphene by the bombardment of Au atoms, while the second step consists of doping atoms of various kinds to the edges of the hole, as well as into the atomic vacancies. These doping atoms serve to functionalize the edges and to create catalysts in the form of single atom arrays. The mechanics of graphene is explored by monitoring the atom-resolved tearing in graphenes, and by elucidating the tailoring mechanisms of graphene nano-ribbon. We are able to create a two- dimensional iron film, termed ironene, with the constraining support from the graphene edges. The segregation of metallic clusters on a graphene sheet is also explored.
机译:纳米力学对纳米结构的理解不仅对于完整性的考虑而且对于其利用都是至关重要的。这里的注意力集中在石墨烯和纳米晶体这两种低维材料上,其特征长度为纳米甚至埃尺度。在纳米晶体中,位错机制受到抑制,其可塑性由沿晶界的扩散原子流决定。针对纳米晶体中的塑性流动和断裂,开发了纳米力学模型。基于微观结构演变的模拟证明了预测纳米晶体的脆性与延性转变的能力。为了将此机制转化为原子图像,在HRTEM下对纳米晶金进行了原位测试。我们观察到原子沿着裂纹面的某些原子平面流动,以促进裂纹的发展。这种扩散辅助模式,以及GB空化和分裂,给出了纳米晶体中缺陷演化的完整谱图。除了会降解纳米结构的危险外,石墨烯中的缺陷可能有助于丰富其功能。原始石墨烯的功能在探索上相当有限。但是,可以围绕石墨烯的缺陷(如空位和边缘)进行掺杂。我们研究了石墨烯中缺陷的产生和演化。设计了一种用于石墨烯原子掺杂的两步方法:第一步是通过轰击Au原子在石墨烯中产生空穴和空位,而第二步包括将各种类型的原子掺杂到空穴的边缘,例如以及进入原子空缺。这些掺杂原子用于功能化边缘并创建单原子阵列形式的催化剂。通过监测石墨烯中的原子分解撕裂,以及阐明石墨烯纳米带的定制机制,探索了石墨烯的力学。我们能够创建二维铁膜,称为氧化铁,并由石墨烯边缘提供约束支撑。还研究了石墨烯片上金属簇的偏析。

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