Affiliation:
1. National Cheng Kung University (NCKU)
Abstract
A molecular dynamic (MD) simulation, which is used for estimating mechanical properties of both microscopic and mesoscopic materials during loading/unloading processes. Understanding the deformation mechanisms of material's internal structure, shape and volume is a key step to enhance its strength and rigidity. Novel nanostructures, nanoparticles and nanocomposites, more efficient, selective, and environmental friendly can be developed and suggested. At the moment, few experimental methods can characterize molecular mechanisms due to their time-consuming and cost-intensive. Therefore, MD simulation allows to gain understanding in structure-to-function relationships involved in the low-dimensional materials. Specifically, MD simulation can be performed on the time scale of nanoseconds, and in three dimensions, it is thus sufficient for the study of the mechanical behaviors and deformation mechanisms at a molecular level. This work reviews the progress in MD simulation of the mechanical properties and structure deformations for various tubular nanomaterials including silicon, carbon and III-V compound nanotubes (NTs), respectively. In particular, we have a detailed description and analysis of the impacts of environmental and structural factors on material strength for the present nanostructures. It is hopeful that this review can provide certain reference for the follow-up research.
Publisher
Trans Tech Publications, Ltd.
Subject
Condensed Matter Physics,General Materials Science,Atomic and Molecular Physics, and Optics
Cited by
1 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献