In situ SAXS measurement and molecular dynamics simulation of magnetic alignment of hexagonal LLC nanostructures

Weiwei Cong; Weimin Gao; Christopher J. Garvey; Ludovic F. Dumée; Juan Zhang; Ben Kent; Guang Wang; Fenghua She; Lingxue Kong

doi:10.3390/membranes8040123

In situ SAXS measurement and molecular dynamics simulation of magnetic alignment of hexagonal LLC nanostructures

Weiwei Cong, Weimin Gao, Christopher J. Garvey, Ludovic F. Dumée, Juan Zhang, Ben Kent, Guang Wang, Fenghua She, Lingxue Kong

Chemical and Petroleum Engineering

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

6 Scopus citations

Abstract

The alignment of nanostructures in materials such as lyotropic liquid crystal (LLC) templated materials has the potential to significantly improve their performances. However, accurately characterising and quantifying the alignment of such fine structures remains very challenging. In situ small angle X-ray scattering (SAXS) and molecular dynamics were employed for the first time to understand the hexagonal LLC alignment process with magnetic nanoparticles under a magnetic field. The enhanced alignment has been illustrated from the distribution of azimuthal intensity in the samples exposed to magnetic field. Molecular dynamics simulations reveal the relationship between the imposed force of the magnetic nanoparticles under magnetic field and the force transferred to the LLC cylinders which leads to the LLC alignment. The combinational study with experimental measurement and computational simulation will enable the development and control of nanostructures in novel materials for various applications.

Original language	British English
Article number	123
Journal	Membranes
Volume	8
Issue number	4
DOIs	https://doi.org/10.3390/membranes8040123
State	Published - 1 Jan 2018

Keywords

Alignment
Hexagonal
In situ small angle X-ray scattering (SAXS)
Lyotropic liquid crystals
Magnetic field
Nanofiltration

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title = "In situ SAXS measurement and molecular dynamics simulation of magnetic alignment of hexagonal LLC nanostructures",

abstract = "The alignment of nanostructures in materials such as lyotropic liquid crystal (LLC) templated materials has the potential to significantly improve their performances. However, accurately characterising and quantifying the alignment of such fine structures remains very challenging. In situ small angle X-ray scattering (SAXS) and molecular dynamics were employed for the first time to understand the hexagonal LLC alignment process with magnetic nanoparticles under a magnetic field. The enhanced alignment has been illustrated from the distribution of azimuthal intensity in the samples exposed to magnetic field. Molecular dynamics simulations reveal the relationship between the imposed force of the magnetic nanoparticles under magnetic field and the force transferred to the LLC cylinders which leads to the LLC alignment. The combinational study with experimental measurement and computational simulation will enable the development and control of nanostructures in novel materials for various applications.",

keywords = "Alignment, Hexagonal, In situ small angle X-ray scattering (SAXS), Lyotropic liquid crystals, Magnetic field, Nanofiltration",

author = "Weiwei Cong and Weimin Gao and Garvey, {Christopher J.} and Dum{\'e}e, {Ludovic F.} and Juan Zhang and Ben Kent and Guang Wang and Fenghua She and Lingxue Kong",

note = "Funding Information: Australian Synchrotron SAXS was performed on the SAXS beamline at the Australian Synchrotron during the proposal 4977 (July 2012). We appreciate the support from the beamline scientists: S. T. Mudie, N. M. Kirby and A. M. Hawley. W. W. Cong is the recipient of an AINSE Post Graduate Research Award and a Deakin University Postgraduate Research Scholarships (DUPRS). This work was performed in part at the Institute for Frontier Materials at Deakin University using in-kind equipment/resources from the Victorian Node of the Australian National Fabrication Facility (ANFF). Publisher Copyright: {\textcopyright} 2018 by the authors. Licensee MDPI, Basel, Switzerland.",

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day = "1",

doi = "10.3390/membranes8040123",

language = "British English",

volume = "8",

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T1 - In situ SAXS measurement and molecular dynamics simulation of magnetic alignment of hexagonal LLC nanostructures

AU - Cong, Weiwei

AU - Gao, Weimin

AU - Garvey, Christopher J.

AU - Dumée, Ludovic F.

AU - Zhang, Juan

AU - Kent, Ben

AU - Wang, Guang

AU - She, Fenghua

AU - Kong, Lingxue

N1 - Funding Information: Australian Synchrotron SAXS was performed on the SAXS beamline at the Australian Synchrotron during the proposal 4977 (July 2012). We appreciate the support from the beamline scientists: S. T. Mudie, N. M. Kirby and A. M. Hawley. W. W. Cong is the recipient of an AINSE Post Graduate Research Award and a Deakin University Postgraduate Research Scholarships (DUPRS). This work was performed in part at the Institute for Frontier Materials at Deakin University using in-kind equipment/resources from the Victorian Node of the Australian National Fabrication Facility (ANFF). Publisher Copyright: © 2018 by the authors. Licensee MDPI, Basel, Switzerland.

PY - 2018/1/1

Y1 - 2018/1/1

N2 - The alignment of nanostructures in materials such as lyotropic liquid crystal (LLC) templated materials has the potential to significantly improve their performances. However, accurately characterising and quantifying the alignment of such fine structures remains very challenging. In situ small angle X-ray scattering (SAXS) and molecular dynamics were employed for the first time to understand the hexagonal LLC alignment process with magnetic nanoparticles under a magnetic field. The enhanced alignment has been illustrated from the distribution of azimuthal intensity in the samples exposed to magnetic field. Molecular dynamics simulations reveal the relationship between the imposed force of the magnetic nanoparticles under magnetic field and the force transferred to the LLC cylinders which leads to the LLC alignment. The combinational study with experimental measurement and computational simulation will enable the development and control of nanostructures in novel materials for various applications.

AB - The alignment of nanostructures in materials such as lyotropic liquid crystal (LLC) templated materials has the potential to significantly improve their performances. However, accurately characterising and quantifying the alignment of such fine structures remains very challenging. In situ small angle X-ray scattering (SAXS) and molecular dynamics were employed for the first time to understand the hexagonal LLC alignment process with magnetic nanoparticles under a magnetic field. The enhanced alignment has been illustrated from the distribution of azimuthal intensity in the samples exposed to magnetic field. Molecular dynamics simulations reveal the relationship between the imposed force of the magnetic nanoparticles under magnetic field and the force transferred to the LLC cylinders which leads to the LLC alignment. The combinational study with experimental measurement and computational simulation will enable the development and control of nanostructures in novel materials for various applications.

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KW - In situ small angle X-ray scattering (SAXS)

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KW - Magnetic field

KW - Nanofiltration

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In situ SAXS measurement and molecular dynamics simulation of magnetic alignment of hexagonal LLC nanostructures

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Keywords

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