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...

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Main Authors:	Jianlei Cui, Huanhuan Mei, Jianwei Zhang, Zhengjie Fan, Jun Yang, Wenjun Wang, Hironori Tohmyoh, Xuesong Mei
Format:	Article
Language:	English
Published:	MDPI AG 2020-03-01
Series:	Materials
Subjects:	contact behavior carbon nanotubes ag nanowire interfaces md simulation
Online Access:	https://www.mdpi.com/1996-1944/13/6/1290

id	doaj-2097ecd558854283999d152a6378e0bc
record_format	Article
spelling	doaj-2097ecd558854283999d152a6378e0bc2020-11-25T01:48:28ZengMDPI AGMaterials1996-19442020-03-01136129010.3390/ma13061290ma13061290Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics SimulationJianlei Cui0Huanhuan Mei1Jianwei Zhang2Zhengjie Fan3Jun Yang4Wenjun Wang5Hironori Tohmyoh6Xuesong Mei7State Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, ChinaState Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, ChinaState Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, ChinaState Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, ChinaState Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, ChinaState Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, ChinaDepartment of Finemechanics, Tohoku University, Aoba 6-6-01, Aramaki, Aoba-ku, Sendai 980-8579, JapanState Key Laboratory for Manufacturing Systems Engineering, Xi’an Jiaotong University, Xi’an 710049, ChinaThe 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.https://www.mdpi.com/1996-1944/13/6/1290contact behaviorcarbon nanotubesag nanowireinterfacesmd simulation
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Jianlei Cui Huanhuan Mei Jianwei Zhang Zhengjie Fan Jun Yang Wenjun Wang Hironori Tohmyoh Xuesong Mei
spellingShingle	Jianlei Cui Huanhuan Mei Jianwei Zhang Zhengjie Fan Jun Yang Wenjun Wang Hironori Tohmyoh Xuesong Mei Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation Materials contact behavior carbon nanotubes ag nanowire interfaces md simulation
author_facet	Jianlei Cui Huanhuan Mei Jianwei Zhang Zhengjie Fan Jun Yang Wenjun Wang Hironori Tohmyoh Xuesong Mei
author_sort	Jianlei Cui
title	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_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_sort	interfacial contact behavior between cnts and agnw with molecular dynamics simulation
publisher	MDPI AG
series	Materials
issn	1996-1944
publishDate	2020-03-01
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.
topic	contact behavior carbon nanotubes ag nanowire interfaces md simulation
url	https://www.mdpi.com/1996-1944/13/6/1290
work_keys_str_mv	AT jianleicui interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation AT huanhuanmei interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation AT jianweizhang interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation AT zhengjiefan interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation AT junyang interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation AT wenjunwang interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation AT hironoritohmyoh interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation AT xuesongmei interfacialcontactbehaviorbetweencntsandagnwwithmoleculardynamicssimulation
_version_	1725012095793102848

Interfacial Contact Behavior between CNTs and AgNW with Molecular Dynamics Simulation

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