Computational Modelling Group

Advanced Materials

Advanced materials include nanomaterials and devices, metamaterials, composites and functional materials. Research is conducted, for example, to develop advanced nanoelectronics that combine functional nanomaterials which couple stress, electric polarisation, magnetization, photonic and thermal properties. Similarly, metamaterials in photonics, magnonics and photonics, which can be used for a wide range of applications, including sensors, actuators, tailored waveguides, data storage, and data processing open new opportunities. Advanced materials are a major component of UK exports.

For queries about this topic, contact Hans Fangohr.

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Projects

Centre for Doctoral Training in Next Generation Computational Modelling

Hans Fangohr, Ian Hawke, Peter Horak (Investigators), Susanne Ufermann Fangohr, Ryan Pepper, Hossam Ragheb, Emanuele Zappia, Ashley Setter, David Lusher, Alvaro Perez-Diaz, Kieran Selvon, Thorsten Wittemeier, Mihails Milehins, Stephen Gow, Ioannis Begleris, Jonathon Waters, James Harrison, Joshua Greenhalgh, Rory Brown, Robert Entwistle, Paul Chambers, Jan Kamenik, Craig Rafter

The £10million Centre for Doctoral Training was launched in November 2013 and is jointly funded by EPSRC, the University of Southampton, and its partners.

The NGCM brings together world-class simulation modelling research activities from across the University of Southampton and hosts a 4-year doctoral training programme that is the first of its kind in the UK.

Large-Scale Quantum Chemistry Simulations of Organic Photovoltaics

Chris-Kriton Skylaris (Investigator), Gabriele Boschetto

The aim of this project is to use first principles quantum mechanical calculations to provide a detailed atomic-level understanding of OPV materials and models of bulk heterojunctions on a far larger scale than possible before by using the ONETEP program for linear-scaling first principles quantum mechanical calculations.

Multi-Scale Modelling of Composite Riser Systems

Adam Sobey (Investigator), Hossam Ragheb

There is an ever increasing interest in exploiting ocean resources at greater depths. At these depths composite materials have a larger separation, in terms of benefits, from traditional steel structures as they offer lower maintenance costs, low weight and high durability. However, there are limited current examples of using composites for these applications meaning that empirical knowledge and specific computational tools are limited. As an example of this lack of knowledge current design guidance gives fatigue safety factors in a range of 15-50. Development of more accurate computational tools will allow an increase in safety and/or reduction of the structure.

A key aspect to increasing the usage of flexible composite risers is the ability to assess the reliability of such structures. Importance Sampling Simulation is becoming the preferred method to assess structures which ideally requires a fast and accurate structural modelling method. Whilst Finite Element Methods can provide an accurate solution to these problems they are slow to run. It is therefore proposed to investigate the use of multiscale modelling to investigate the reliability of such structures. This will involve the development of: a full-scale model to be run in conjunction with fluid mechanics simulations, a higher resolution model to investigate the fatigue hotspot near the seabed and a more local model to simulate the fatigue growth.

Multiscale models of magnetic materials at elevated temperatures

Denis Kramer, Ondrej Hovorka (Investigators), Jonathon Waters

This project will develop and apply multi-scale modelling approaches to investigate thermal fluctuation effects in magnetic materials.

Simulations of Magnetic Skyrmions

Hans Fangohr (Investigator), Ryan Pepper

The manipulation of magnetic skyrmions could prove to be a useful technique for storing data on an unprecedented density scale. In this project we seek to better understand their properties and ways to control them.

People

Hans Fangohr
Professor, Engineering Sciences (FEE)
Peter Horak
Reader, Optoelectronics Research Centre
Ian Hawke
Lecturer, Mathematics (FSHS)
Ondrej Hovorka
Lecturer, Engineering Sciences (FEE)
Denis Kramer
Lecturer, Engineering Sciences (FEE)
Chris-Kriton Skylaris
Lecturer, Chemistry (FNES)
Ioannis Begleris
Postgraduate Research Student, Engineering Sciences (FEE)
Gabriele Boschetto
Postgraduate Research Student, Engineering Sciences (FEE)
Rory Brown
Postgraduate Research Student, Civil Engineering & the Environment (FEE)
Paul Chambers
Postgraduate Research Student, Engineering Sciences (FEE)
Robert Entwistle
Postgraduate Research Student, Engineering Sciences (FEE)
Stephen Gow
Postgraduate Research Student, Engineering Sciences (FEE)
Joshua Greenhalgh
Postgraduate Research Student, Engineering Sciences (FEE)
James Harrison
Postgraduate Research Student, Engineering Sciences (FEE)
Jan Kamenik
Postgraduate Research Student, Engineering Sciences (FEE)
David Lusher
Postgraduate Research Student, Engineering Sciences (FEE)
Alvaro Perez-Diaz
Postgraduate Research Student, Engineering Sciences (FEE)
Craig Rafter
Postgraduate Research Student, Engineering Sciences (FEE)
Hossam Ragheb
Postgraduate Research Student, Engineering Sciences (FEE)
Kieran Selvon
Postgraduate Research Student, Engineering Sciences (FEE)
Ashley Setter
Postgraduate Research Student, Engineering Sciences (FEE)
Adam Sobey
Postgraduate Research Student, Engineering Sciences (FEE)
Alex Stuikys
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Jonathon Waters
Postgraduate Research Student, Engineering Sciences (FEE)
Thorsten Wittemeier
Postgraduate Research Student, Engineering Sciences (FEE)
Emanuele Zappia
Postgraduate Research Student, Engineering Sciences (FEE)
Susanne Ufermann Fangohr
Administrative Staff, Civil Engineering & the Environment (FEE)
Mihails Milehins
Alumnus, University of Southampton
Zheng Jiang
None, None