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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.
0010-4655
1-15
Tyson, Jack James
1ace1d00-d4dd-48c7-aa05-61951e074e89
Rahman, Tasmiat
e7432efa-2683-484d-9ec6-2f9c568d30cd
Boden, Stuart
83976b65-e90f-42d1-9a01-fe9cfc571bf8
Tyson, Jack James
1ace1d00-d4dd-48c7-aa05-61951e074e89
Rahman, Tasmiat
e7432efa-2683-484d-9ec6-2f9c568d30cd
Boden, Stuart
83976b65-e90f-42d1-9a01-fe9cfc571bf8

Tyson, Jack James, 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.

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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

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 James 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: 07 Oct 2020 02:22

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