A new interaction force model of gold nanorods derived by molecular dynamics simulation

Pan Yang; Qinghua Zeng; Kejun Dong; Haiping Zhu; Aibing Yu

doi:10.3390/nano10071293

A new interaction force model of gold nanorods derived by molecular dynamics simulation

Pan Yang, Qinghua Zeng, Kejun Dong, Haiping Zhu, Aibing Yu

Western Sydney University

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

Interactions between nanoparticles is one of the key factors governing their assembly for ordered structures. Understanding such interactions between non-spherical nanoparticles and developing a quantitative force model are critical to achieving the ordered structures for various applications. In the present study, the non-contact interactions of two identical gold nanorods (AuNRs) with different aspect ratios have been studied by molecular dynamics simulation. A new interaction potential and force model for two nanorods approaching side-by-side has been proposed as a function of particle surface separation and their relative orientation. In addition, the interaction potentials of two nanorods approaching in other typical orientation configurations (i.e., crossed, head-to-head and head-to-side) have also been investigated.

Original language	English
Article number	1293
Number of pages	14
Journal	Nanomaterials
Volume	10
Issue number	7
DOIs	https://doi.org/10.3390/nano10071293
Publication status	Published - 2020

Open Access - Access Right Statement

© 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/).

Keywords

configurations
gold
molecular dynamics
nanoparticles
simulation methods

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10.3390/nano10071293

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abstract = "Interactions between nanoparticles is one of the key factors governing their assembly for ordered structures. Understanding such interactions between non-spherical nanoparticles and developing a quantitative force model are critical to achieving the ordered structures for various applications. In the present study, the non-contact interactions of two identical gold nanorods (AuNRs) with different aspect ratios have been studied by molecular dynamics simulation. A new interaction potential and force model for two nanorods approaching side-by-side has been proposed as a function of particle surface separation and their relative orientation. In addition, the interaction potentials of two nanorods approaching in other typical orientation configurations (i.e., crossed, head-to-head and head-to-side) have also been investigated.",

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T1 - A new interaction force model of gold nanorods derived by molecular dynamics simulation

AU - Yang, Pan

AU - Zeng, Qinghua

AU - Dong, Kejun

AU - Zhu, Haiping

AU - Yu, Aibing

PY - 2020

Y1 - 2020

N2 - Interactions between nanoparticles is one of the key factors governing their assembly for ordered structures. Understanding such interactions between non-spherical nanoparticles and developing a quantitative force model are critical to achieving the ordered structures for various applications. In the present study, the non-contact interactions of two identical gold nanorods (AuNRs) with different aspect ratios have been studied by molecular dynamics simulation. A new interaction potential and force model for two nanorods approaching side-by-side has been proposed as a function of particle surface separation and their relative orientation. In addition, the interaction potentials of two nanorods approaching in other typical orientation configurations (i.e., crossed, head-to-head and head-to-side) have also been investigated.

AB - Interactions between nanoparticles is one of the key factors governing their assembly for ordered structures. Understanding such interactions between non-spherical nanoparticles and developing a quantitative force model are critical to achieving the ordered structures for various applications. In the present study, the non-contact interactions of two identical gold nanorods (AuNRs) with different aspect ratios have been studied by molecular dynamics simulation. A new interaction potential and force model for two nanorods approaching side-by-side has been proposed as a function of particle surface separation and their relative orientation. In addition, the interaction potentials of two nanorods approaching in other typical orientation configurations (i.e., crossed, head-to-head and head-to-side) have also been investigated.

KW - configurations

KW - gold

KW - molecular dynamics

KW - nanoparticles

KW - simulation methods

UR - https://hdl.handle.net/1959.7/uws:56516

U2 - 10.3390/nano10071293

DO - 10.3390/nano10071293

M3 - Article

SN - 2079-4991

VL - 10

JO - Nanomaterials

JF - Nanomaterials

IS - 7

M1 - 1293

ER -

A new interaction force model of gold nanorods derived by molecular dynamics simulation

Abstract

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