The University of Southampton
University of Southampton Institutional Repository

A new mathematical interpretation of disordered nanoscale material systems for computational modelling

A new mathematical interpretation of disordered nanoscale material systems for computational modelling
A new mathematical interpretation of disordered nanoscale material systems for computational modelling
As the era of microscale technologies becomes increasingly overcome by that of the nanoscale, an ever-increasing emphasis on the accurate modelling of such scaled systems is apparent. This work explores the combination of the finite element method with a new set of statistical algorithms to model the optical properties of disordered nanoscale morphologies. A silicon surface textured with a random distribution of nanowires is created to simulate, as an example study, how it responds to incident light. By averaging over many iterations of the model in which the structural parameters are varied around average values, a good match to experiment is achieved, showcasing an error as low as 1.34% in magnitude against measured data. This research introduces a fresh computational approach to simulating heterogeneous material structures widely applicable for modelling across the field of nanotechnology.
COMSOL, Heterogeneous, Materials, Modelling, Nanoscale
0010-4655
1-15
Tyson, Jack
72808b94-f100-4205-9e7e-89405dca45ac
Rahman, Tasmiat
e7432efa-2683-484d-9ec6-2f9c568d30cd
Boden, Stuart
83976b65-e90f-42d1-9a01-fe9cfc571bf8
Tyson, Jack
72808b94-f100-4205-9e7e-89405dca45ac
Rahman, Tasmiat
e7432efa-2683-484d-9ec6-2f9c568d30cd
Boden, Stuart
83976b65-e90f-42d1-9a01-fe9cfc571bf8

Tyson, Jack, Rahman, Tasmiat and Boden, Stuart (2020) A new mathematical interpretation of disordered nanoscale material systems for computational modelling. Computer Physics Communications, 255, 1-15, [107399]. (doi:10.1016/j.cpc.2020.107399).

Record type: Article

Abstract

As the era of microscale technologies becomes increasingly overcome by that of the nanoscale, an ever-increasing emphasis on the accurate modelling of such scaled systems is apparent. This work explores the combination of the finite element method with a new set of statistical algorithms to model the optical properties of disordered nanoscale morphologies. A silicon surface textured with a random distribution of nanowires is created to simulate, as an example study, how it responds to incident light. By averaging over many iterations of the model in which the structural parameters are varied around average values, a good match to experiment is achieved, showcasing an error as low as 1.34% in magnitude against measured data. This research introduces a fresh computational approach to simulating heterogeneous material structures widely applicable for modelling across the field of nanotechnology.

Text
A new mathematical interpretation of disordered nanoscale material systems for computational modelling - Version of Record
Available under License Creative Commons Attribution.
Download (3MB)
Text
Nanoscale Material Systems for Computational Modelling - Proof
Available under License Creative Commons Attribution.
Download (2MB)

More information

Submitted date: 28 October 2019
Accepted/In Press date: 24 May 2020
e-pub ahead of print date: 30 May 2020
Published date: October 2020
Keywords: COMSOL, Heterogeneous, Materials, Modelling, Nanoscale

Identifiers

Local EPrints ID: 441097
URI: http://eprints.soton.ac.uk/id/eprint/441097
ISSN: 0010-4655
PURE UUID: 82c59f21-5ee7-4925-aa58-16ab25d47896
ORCID for Jack Tyson: ORCID iD orcid.org/0000-0002-3112-5899
ORCID for Stuart Boden: ORCID iD orcid.org/0000-0002-4232-1828

Catalogue record

Date deposited: 01 Jun 2020 16:30
Last modified: 17 Mar 2024 04:09

Export record

Altmetrics

Contributors

Author: Jack Tyson ORCID iD
Author: Tasmiat Rahman
Author: Stuart Boden ORCID iD

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×