A Review on Mechanical Properties of Deformation Mechanism of Tubular Nanostructures: Molecular Dynamics Simulations

Ping Chi Tsai, Yeau Ren Jeng

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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.

Original languageEnglish
Title of host publicationInternational Symposium on Advanced Material Research V - Special topic volume with invited peer-reviewed papers only
EditorsDong Keon Kim
PublisherTrans Tech Publications Ltd
Pages79-86
Number of pages8
ISBN (Print)9783035713121
DOIs
Publication statusPublished - 2022
Event5th International Symposium on Advanced Material Research, ISAMR 2021 - Jeju Island, Korea, Republic of
Duration: 2021 Jun 192021 Jun 21

Publication series

NameSolid State Phenomena
Volume329 SSP
ISSN (Print)1012-0394
ISSN (Electronic)1662-9779

Conference

Conference5th International Symposium on Advanced Material Research, ISAMR 2021
Country/TerritoryKorea, Republic of
CityJeju Island
Period21-06-1921-06-21

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics
  • Materials Science(all)
  • Condensed Matter Physics

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