Cargando…

Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation

The behavior at an interface between carbon nanotubes (CNTs) and silver nanowire (AgNW) could hardly be observed experimentally on an atomic scale, and the interaction is difficult to accurately calculate due to nanometer size effects. In this work, the contact behavior is studied with the molecular...

Descripción completa

Detalles Bibliográficos
Autores principales: Cui, Jianlei, Mei, Huanhuan, Zhang, Jianwei, Fan, Zhengjie, Yang, Jun, Wang, Wenjun, Tohmyoh, Hironori, Mei, Xuesong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7142578/
https://www.ncbi.nlm.nih.gov/pubmed/32178440
http://dx.doi.org/10.3390/ma13061290
_version_ 1783519414282354688
author Cui, Jianlei
Mei, Huanhuan
Zhang, Jianwei
Fan, Zhengjie
Yang, Jun
Wang, Wenjun
Tohmyoh, Hironori
Mei, Xuesong
author_facet Cui, Jianlei
Mei, Huanhuan
Zhang, Jianwei
Fan, Zhengjie
Yang, Jun
Wang, Wenjun
Tohmyoh, Hironori
Mei, Xuesong
author_sort Cui, Jianlei
collection PubMed
description The behavior at an interface between carbon nanotubes (CNTs) and silver nanowire (AgNW) could hardly be observed experimentally on an atomic scale, and the interaction is difficult to accurately calculate due to nanometer size effects. In this work, the contact behavior is studied with the molecular dynamics (MD) simulation, which indicates that the CNTs and AgNW can move towards each other to form aligned structures with their interfaces in full contact. In these different composite systems, nanotubes may either keep their form of an inherent cylindrical structure or completely collapse into the nanoribbons that can tightly scroll on the AgNW periphery while wrapping it in a core-shell structure. Thus, the atomic configuration evolution that is affected by the van der Waals (vdW) interaction is closely analyzed to assist the understanding of interfacial contact behavior.
format Online
Article
Text
id pubmed-7142578
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-71425782020-04-15 Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation Cui, Jianlei Mei, Huanhuan Zhang, Jianwei Fan, Zhengjie Yang, Jun Wang, Wenjun Tohmyoh, Hironori Mei, Xuesong Materials (Basel) Letter The behavior at an interface between carbon nanotubes (CNTs) and silver nanowire (AgNW) could hardly be observed experimentally on an atomic scale, and the interaction is difficult to accurately calculate due to nanometer size effects. In this work, the contact behavior is studied with the molecular dynamics (MD) simulation, which indicates that the CNTs and AgNW can move towards each other to form aligned structures with their interfaces in full contact. In these different composite systems, nanotubes may either keep their form of an inherent cylindrical structure or completely collapse into the nanoribbons that can tightly scroll on the AgNW periphery while wrapping it in a core-shell structure. Thus, the atomic configuration evolution that is affected by the van der Waals (vdW) interaction is closely analyzed to assist the understanding of interfacial contact behavior. MDPI 2020-03-12 /pmc/articles/PMC7142578/ /pubmed/32178440 http://dx.doi.org/10.3390/ma13061290 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Letter
Cui, Jianlei
Mei, Huanhuan
Zhang, Jianwei
Fan, Zhengjie
Yang, Jun
Wang, Wenjun
Tohmyoh, Hironori
Mei, Xuesong
Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation
title Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation
title_full Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation
title_fullStr Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation
title_full_unstemmed Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation
title_short Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation
title_sort interfacial contact behavior between cnts and agnw with molecular dynamics simulation
topic Letter
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7142578/
https://www.ncbi.nlm.nih.gov/pubmed/32178440
http://dx.doi.org/10.3390/ma13061290
work_keys_str_mv AT cuijianlei interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation
AT meihuanhuan interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation
AT zhangjianwei interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation
AT fanzhengjie interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation
AT yangjun interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation
AT wangwenjun interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation
AT tohmyohhironori interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation
AT meixuesong interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation