Computational Modelling Group

A Fast Multipole Method for the Bessel potential

Marc Molinari, Simon Cox (Investigators), Neil O'Brien

The fast multipole method (FMM) proposed by Greengard and Rokhlin provides a method by which the O(N-squared) many-body problem can be reduced to O(N) complexity. In this project, a multipole method is developed to calculate the energy of a system of vortices in a high temperature superconductor, where the many-body interactions give rise to rich and complex physics. The method developed here is suitable for systems where the interactions are governed by a Bessel potential rather than the usual logarithmic potentials occurring in gravitational and electrostatic problems. We derive and apply vectorised forms of the Gegenbauer addition formulae in order to achieve the O(N) scaling associated with fast multipole methods.

A Fortran Based Mesh Viewer

Gabriel Amine-Eddine

During my final year as an undergraduate, I developed a fully functional software program for visualising geometries, grids and grid quality metrics, for and in-house CFD software tool (HARTREE CFD).

A novel method for monitoring air pollution from satellites at very high resolution

Joanna Nield, Jason Noble, Edward Milton (Investigators), Robin Wilson

Developing methods to monitor the clarity of the atmosphere from satellites at 100,000 times the resolution of previous methods. This can then be used to monitor air pollution, correct satellite images and provide data for climate studies. Simulation is used to model the effects of atmospheric pollution on light passing through the atmosphere, and to test the method under 'synthetic atmospheres'.

Ab initio simulations of chemical reactions on platinum nanoparticles

Chris-Kriton Skylaris (Investigator), Álvaro Ruiz-Serrano, Peter Cherry

•Use first principles calculations to study the relationship between shape and size of nanoparticle and the oxygen adsorption energy.

• Investigate the effect of high oxygen coverage on the catalytic activity of the nanoparticles.

An Evolutionary Economic Approach to the Household?

Jason Hilton

The household is a fundamental societal unit. In a huge array of contexts, our understanding of social behaviour relies on an interpretation of how decision are taken at the household level.This work aims to model individual decision-making and interactions between individuals explicitly within the framework of agent-based modelling, following the work of Potts (2000). Potts describes how economic problems can better be dealt with by considering how agents with incomplete, evolving preferences in the form of decision rules interact on a network, and how they cooperate and form ties to produce combinatorial technologies. Following the work of Gary Becker, he then considers how this ostensibly economic framework might hypothetically describe partnership search and household formation and dissolution.

An Investigation into the Cascade Effect of Mergers on the Global Financial Markets

Seth Bullock, Antonella Ianni (Investigators), Camillia Zedan

An investigation into the external effects that horizontal mergers have on the interconnected global markets.

Assessment of the performance of novel RANS and hybrid turbulence models on the flow around a cylinder

Manuel Diaz Brito

The turbulent flow around a circular cylinder is a widely studied problem in fluid dynamics. At a certain characteristic Reynolds numbers the development of a turbulent wake occurs simultaneously with separation of the laminar boundary layer. The mechanisms defining this critical flow state are very complex to predict computationally. In this project the suitability of novel non-linear eddy viscosity closures and a hybrid Flow Simulation Methodology formulation to face these massively separated flows is studied. The flow predicting capabilities of the baseline EASM, ?-?-EASM and FSM-?-?-EASM tested are contrasted with the industrial renowned k-?-SST turbulence model. In the visualisation of the results it is evident that the ?-?-EASM has greater flexibility estimating the components of the Reynolds stresses with respect to the baseline EASM and the k-?-SST. Although dome differences are observed, the prediction of the critical flow around a cylinder is not accurately achieved by any of these RANS models, but the FSM-?-?-EASM shows great resemblance with the validation data, demonstrating capabilities of resolving very complex flow phenomena with minimum user input if the computational grid is fine enough. In order to demonstrate even greater advantages of non-linear models it was postulated that the addition of a streamwise impinging vortex hitting the leading edge of the cylinder would make the flow field fully three-dimensional. First attempts were tried in this route but time constraints limited the ultimate scope of the present work.

Bioclimatic Architecture

Seth Bullock (Investigator), Nicholas Hill

This was a review report on bioclimatic architecture and how such architecture may be designed by agent-based models inspired by the building behaviour of insects.

Bioinformatic identification and physiological analysis of ethanol-related genes in C. elegans

Richard Edwards, Vincent O'Connor, Lindy Holden-Dye (Investigators), Ben Ient

Investigating the broad molecular, cellular and systems level impacts of acute and chronic ethanol in the nematode, Caenorhabditis elegans, as a model.

Body Forces in Particle Suspensions in Turbulence

Gabriel Amine-Eddine (Investigator)

The behaviour of multiphase flows is of primary importance in many engineering applications. In the past, experimental observations have provided many researchers with the ability to understand and probe the phenomena and physical processes occurring in such flows. With advancements in modern day computational power, we now have the ability to gain an even greater wealth of knowledge, from what used to be a physical experiment, is now a virtual simulation.

Amine-Eddine, G.H. (2015) Body forces in particle suspensions in turbulence. University of Southampton, Faculty of Engineering and the Environment, Doctoral Thesis , 283pp.

Cavity-Mediated Cooling

Peter Horak, Timothy Freegarde (Investigators), Andre Xuereb

Optical resonators enhance the interaction of light with matter while simultaneously acting as a temporal buffer. Both effects can be exploited to generate light-induced friction, or cooling, forces on atoms, molecules, or micromirrors. We investigate various aspects of these effects through numerical simulations, assisted by approximate analytical models, in this EPSRC and ESF sponsored project.

Continuously Tunable Optical Buffer

Peter Horak (Investigator)

The project aims to design, fabricate and test a novel integrated all-optical buffer device that is based on MEMS technology and provides a continuously tunable delay for optical pulses over a broad wavelength region. Such a device could play a crucial role in future packet-switched optical networks, photonic integrated circuits and coherent light based applications such as optically steered phase array antennas, LIDAR and optical coherence tomography.

This EPSRC funded project is a collaboration between the Optoelectronics Research Centre, Southampton, and University College London.

Control and Prediction of the Organic Solid State

Richard Boardman

This project aims to produce a computer technology for the prediction of the crystal structure(s) of an organic molecule, that could be used even prior to the synthesis of the compound.

Such a computational study could be done relatively quickly to predict the dangers and opportunities of the solid phases of a molecule under development. Our project will develop the methods of experimental screening for polymorphs and their characterisation, and hence the combination will provide a major new technology for aiding industrial formulation.

Coronary Artery Stent Design for Challenging Disease

Neil Bressloff (Investigator), Georgios Ragkousis

In this work, a method has been setup to (i) reconstruct diseased patient specific coronary artery segments; (ii) use the new supercomputer to run many simulations of this complex problem and (iii) assess the degree of stent malapposition. The aim now is to devise a stent delivery system that can mitigate this problem

Coupled Fluid-Structure Interaction to model Three-Dimensional Dynamic Behaviour of Ships in Waves

Pandeli Temarel, Zhi-Min Chen (Investigators), Puram Lakshmynarayanana

In the present study we focus our attention on fluid-structure interactions (FSI) of flexible marine structures in waves by coupling a fluid solver using Computational Fluid Dynamics (CFD) and a structural solver using Finite Element Analysis (FEA) software.

DePuy Technology Partnership

Mark Taylor (Investigator), Adam Briscoe

This initiative concerns the transfer of knowledge between three key institutions (University of Southampton, University of Leeds and University of Hamburg) and DePuy International limited. The project is concerned with the ongoing advancement of technology used in orthopaedic devices.

Desiging Near-Capacity Quantum Error Correction Codes

Lajos Hanzo (Investigator), Zunaira Babar

Design efficient quantum error correction codes to correct the errors encountered in a quantum transmission; thus, increasing reliability and robustness of the future quantum systems.

Design of Unmanned Air Vehicles

James Scanlan (Investigator), Robert Entwistle

Using computational modelling of a 3D airspace simulation environment to meet the safety and collision-avoidance requirements of the certification authorities.

Developing programming skills with Minecraft and Python

Hans Fangohr (Investigator), Alvaro Perez-Diaz

PythonTool is a Minecraft mod created for this project which allows interactive execution of Python scripts which interact with the game in real time. It intends to make teaching programming to children or non-expert users easier and more appealing.

DIPLOS - Dispersion of Localised Releases in a Street Network

Trevor Thomas, Ian Castro (Investigators)

The security threat level from international terrorism, introduced by the UK Security Service, has been classified as either "severe" or "critical" for much of its six-year history, and currently remains as "substantial" (source: MI5 website). Part of the risk posed by terrorist threats involves potential releases of air-borne chemical, biological, radiological or nuclear (CBRN) material into highly populated urbanised areas. Smoke from industrial accidents within or in the vicinity of urban areas also pose risks to health and can cause widespread disruption to businesses, public services and residents. The Buncefield depot fire of 2005 resulted in the evacuation of hundreds of homes and closure of more than 200 schools and public buildings for two days; consequences would have been much more severe if prevailing meteorological conditions had promoted mixing or entrainment of the smoke plume into the urban canopy. In both these scenarios it is crucial to be able to model, quickly and reliably, dispersion from localised sources through an urban street network in the short range, where the threat to human health is greatest. However, this is precisely where current operational models are least reliable because our understanding and ability to model short-range dispersion processes is limited. The contribution that DIPLOS will make is:

1. to fill in the gaps in fundamental knowledge and understanding of key dispersion processes,
2. to enable these processes to be parametrized for use in operational models,
3. to implement them into an operational model, evaluate the improvement and apply the model to a case study in central London

Most of the existing research on urban dispersion has focused on air quality aspects, with sources being extensive and distributed in space. Scientifically, this research is novel in focusing on localized releases within urban areas, and on dispersion processes at short range. Through a combination of fundamental studies using wind tunnel experiments and high resolution supercomputer simulations, extensive data analysis and development of theoretical and numerical models, DIPLOS will contribute to addressing this difficult and important problem from both a scientific research and a practical, operational perspective.

Discrete ECogeomorphic Aeolian Landscape (DECAL) modelling

Joanna Nield (Investigator)

DECAL is a cellular automaton based model which incorporated mutual feedback processes between geomorphic forcing and ecological growth to investigate fundamental controls, self-organising and non-linear behaviour in semi-arid aeolian dune environments. This project explores landscape evolution and disturbance response, developing a phase-space in which dune fields can be quantified.

Electrostatic embedded energy calculations of proteins, using the ONETEP DFT code

Chris-Kriton Skylaris (Investigator), Stephen Fox, Chris Pittock

Calculating the energy of a biomolecule in solvent, using quantum mechanics (QM) is possible, but extremely challenging, even with linear-scaling QM methods like ONETEP. Using electrostatic embedding, a novel twist on the existing QM/MM method is used to calculate the binding energy of a small ligand to a solvated protein, increasing the accuracy and realism of our general project work.

Fluid Loads and Motions of Damaged Ships

Dominic Hudson, Ming-yi Tan (Investigators), Christian Wood, James Underwood, Adam Sobey

An area of research currently of interest in the marine industry is the effect of damage on ship structures. Research into the behaviour of damaged ships began in the mid nineties as a result of Ro-Ro disasters (e.g. Estonia in 1994). Due to the way the Estonia sank early research mainly focused on transient behaviour immediately after the damage takes place, the prediction of capsize, and of large lateral motions. Further research efforts, headed by the UK MoD, began following an incident where HMS Nottingham ran aground tearing a 50m hole from bow to bridge, flooding five compartments and almost causing the ship to sink just off Lord Howe Island in 2002. This project intends to answer the following questions:
“For a given amount of underwater damage (e.g. collision or torpedo/mine hit), what will be the progressive damage spread if the ship travels at ‘x’ knots? OR for a given amount of underwater damage, what is the maximum speed at which the ship can travel without causing additional damage?”

Generic Operational Simulation of Civil Unmanned Air Vehicle Operations

Hans Fangohr, James Scanlan (Investigators)

This project creates a generic operational simulation of Unmanned Air Vehicle Operations. UAVs can be valued for their mission-suitability and compared against various configurations.

Genetic studies to characterise the role of genetic factors in early-onset breast cancer

Andrew Collins (Investigator), Rosanna Upstill-Goddard

Breast cancer is a highly heterogeneous disease, with many distinct subtypes. In the majority of breast cancer cases the causative genetic component is poorly characterised. This study aims to explore both rare and common mutations in early-onset breast cancer patients and the contribution of such variants to disease using a variety of analytic approaches.

Graphical Simulation of Archaeological Environments

Graeme Earl (Investigator)

This project defines an emerging area of interest in physically accurate rendering within the Archaeological Computing Research Group. Sub-projects include analysis of Roman spaces at herculaneum, Neolithic buildings at Catalhoyuk and simulation of a range of artefacts.

Identification of novel Crustacean Pathogen Receptor Proteins

Richard Edwards, Chris Hauton, Timothy Elliott (Investigators), Oyindamola Lawal, Lloyd Mushambadzi

We are mining EST libraries (sequence fragments of expressed genes) for novel proteins that might play a role in the immune response of crustaceans.

Immunotherapy Research: Modelling MHC Class I Complex Assembly

Timothy Elliott, Jorn Werner (Investigators), Alistair Bailey

This project uses mathematical modelling and simulation to investigate mechanisms by which our cells process and present biological information that is used by our immune system to distinguish between healthy and diseased cells.

Integrated in silico prediction of protein-protein interaction motifs

Richard Edwards (Investigator), Nicolas Palopoli, Kieren Lythgow

Many vital protein-protein interactions are mediated by Short Linear Motifs (SLiMs) which are short proteins typically 5-15 amino acids long containing only a few positions crucial to function. This project integrates a number of leading computational techniques to predict novel SLiMs and add crucial detail to protein-protein interaction networks.

Interactome-wide prediction of short linear protein interaction motifs in humans

Richard Edwards (Investigator)

Short Linear Motifs (SLiMs) are important in many protein-protein interactions. In previous work, we have developed a computational tool, SLiMFinder, which places the interpretation of evidence for motifs within a statistical framework with high specificity, and subsequently enhanced sensitivity through application of conservation-based sequence masking. We are now applying these tools to a comprehensive set of human protein-protein interactions in order to predict novel human SLiMs in silico.

Investigation into the Interfacial Physics of Field Effect Biosensors

Nicolas Green, Chris-Kriton Skylaris (Investigators), Benjamin Lowe

This interdisciplinary research aims to improve understanding of Field Effect Transistor Biosensors (Bio-FETs) and to work towards a multiscale model which can be used to better understand and predict device response.

Investigations of Lymphatic Fluid Flow

Tiina Roose, Bharathram Ganapathisubramani, Geraldine Clough (Investigators), Laura Cooper

The lymphatic system performs three main roles returns interstitial fluid back into the blood stream to maintain tissue fluid homeostasis. The aim of this project is to increase our understanding of how the lymph flows through the system by creating three dimensional fluid structure interaction models of the secondary lymphatic valves and image based models of lymph nodes.

Measuring biomolecules - improvements to the spectroscopic ruler

Pavlos Lagoudakis, Tom Brown (Investigators), Jan Junis Rindermann, James Richardson

The spectroscopic ruler is a technique to measure the geometry of biomolecules on the nm scale by labeling them with pairs of fluorescent markers and measuring distance dependent non-radiative energy transfer between them. The remaining uncertainty in the application of the technique originates from the unknown orientation between the optical dipole moments of the fluorescent markers, especially when the molecule undergoes thermal fluctuations in physiological conditions. Recently we introduced a simulation based method for the interpretation of the fluorescence decay dynamics of the markers that allows us to retrieve both the average orientation and the extent of directional fluctuations of the involved dipole moments.

Meshless Methods for Photonic Crystal Modelling

Kamal Djidjeli, Marc Molinari, Simon Cox (Investigators), Neil O'Brien, Elizabeth Hart

We apply meshless methods to the problems of simulating photonic crystals. The meshless methods utilise compactly-supported radial basis functions (CSRBFs) and offer a promising alternative to the conventional plane-wave expansion method for calculating the band structure of photonic crystals.

Modelling Macro-Nutrient Release & Fate Resulting from Sediment Resuspension in Shelf Seas

Chris Wood

This study involves adapting a previously-published model to take into account the effect resuspension events (both natural and anthropogenic) may have on nutrient dynamics at the sediment-water interface, and hence produce better estimates for the total nutrient budgets for shelf seas.

Modelling the Easterlin Effect

Jason Hilton

This project is an attempt to formalise the Easterlin hypothesis in a simulation model and test its plausibility.
The Easterlin Hypothesis, developed by economist Richard Easterlin, purports to describe a mechanism whereby the fertility decisions of a particular cohort of individuals are linked to population level conditions that held sway when they were born The empirical support for the theory is quite strong for the certain periods in the history of the United States, but elsewhere it is circumstantial and patchy. A simulation model may allows us to test under what conditions it may hold and not hold, and also might help inform more general theory building.

Multi-objective design optimisation of coronary stents

Neil Bressloff, Georges Limbert (Investigators), Sanjay Pant

Stents are tubular type scaffolds that are deployed (using an inflatable balloon on a catheter), most commonly to recover the shape of narrowed (diseased) arterial segments. Despite the widespread clinical use of stents in cardiovascular intervention, the presence of such devices can cause adverse responses leading to fatality or to the need for further treatment. The most common unwanted responses of inflammation are in-stent restenosis and thrombosis. Such adverse biological responses in a stented artery are influenced by many factors, including the design of the stent. This project aims at using multi-objective optimisation techniques to find an optimum family of coronary stents which are more resistant to the processes of in-stent restenosis (IR) and stent thrombosis (ST).

Multiscale Modelling of Cellular Calcium Signalling

Hans Fangohr, Jonathan Essex (Investigators), Dan Mason

Calcium ions play a vitally important role in signal transduction and are key to many cellular processes including muscle contraction and cell apoptosis (cell death). This importance has made calcium an active area in biomedical science and mathematical modelling.

MXL Project

Mark Taylor, Junfen Shi (Investigators)

‘MXL’ is short for “Enhanced patient safety by computational Modelling from clinically available X-rays to minimise the risk of overload and instability for optimised function and Longevity”. This is an international EU-funded project which the Bioengineering Sciences Research Group at Southampton is involved in. For more information, visit http://www.m-x-l.eu

nano-CMOS

Mark Zwolinski (Investigator), Michael Merrett

Modelling random device variations within systems using nano-CMOS technologies.

Nmag finite difference

Hans Fangohr (Investigator), Dmitri Chernyshenko, Matteo Franchin, Massoud Najafi

The goal of this project is to extends the finite element based micromagnetic simulation tool Nmag by the finite difference based extension Nmagfd and so to get an simulation tool where the user can easily switch between the used discretization method.

Nonlinear Optical Pulse Propagation

Peter Horak, Francesco Poletti (Investigators)

The work is concerned with the propagation of high-power short-pulse propagation in microstructured fibres or waveguides. Dispersion properties and optical nonlinearities are exploited for pulse shaping techniques in space, time, and frequency. Investigated microstructures include silica or soft-glass templates, gas-filled capillaries, and semiconductor-filled fibres, and optical wavelengths range from the X-ray to the mid-infrared regime.

OCCASION: Overcoming Capacity Constraints - A Simulation Integrated with Optimisation for Nodes

Tolga Bektas (Investigator)

OCCASION is a collaboration between TRG and the Schools of Mathematics and Management. The project's objective is to identify and investigate innovative methods of increasing the capacity of nodes (i.e. junctions and stations) on the railway network, without substantial investment in additional infrastructure. To this end, a state-of-the-art review of recent and ongoing work in this area will be conducted, followed by the development of tools to (i) assess existing levels of capacity utilisation at nodes, and (ii) investigate options for re-routeing and re-scheduling trains, with a view to reducing capacity utilisation levels. These tools will be used in combination to develop solutions delivering reduced levels of capacity utilisation, and thus increases in capacity and/or service reliability. Incremental changes to existing railway technologies (e.g. improved points) and operating practice (e.g. relaxations of the Rules of the Plan) will be investigated, as will concepts from other modes (e.g. road and air transport) and sectors (e.g. production scheduling).

Operational Simulation of the Solent Search-and-Rescue environment

James Scanlan, Kenji Takeda, Hans Fangohr (Investigators), Ben Schumann

This project aims to identify useful metrics for a proposed Search-and-Rescue UAV and test it virtually in a realistic environment.

Porous Media and Hydrothermal Circulation in Weakened Ocean Crust

Formation of oceanic crust is an interplay between magma and the cooling hydrothermal system above that its own heat drives. To understand this system we must understand where and how water circulates through the crust.

Ocean crust is riddled with faults and other permeable pathways along which water preferentially flows. We seek to use basic numerical models of circulation in porous media to understand how much of an influence on crust formation these anomalous features have, compared to the bulk, unfractured crust.

Prediction of orifice flow flooding rates through generic orifices

Dominic Hudson, Ming-yi Tan (Investigators), Christian Wood, Adam Sobey

This presearch concentrates on the modelling of compartment flooding rates following the occurrence of damage in a ship's side shell. Typical state of the art flooding models use Torricelli’s formula to calculate flooding rates using a constant co-efficient of discharge (Cd). Based on Bernoulli’s theorem, turbulence and viscosity effects are not included using a Cd independent of damage shape or size. Previous work indicates that this assumption over-simplifies the problem to an extent where the flooding rates used for calculation are in error. This project will use CFD validated by experiment to calculate flooding rates for a large number of cases from which a 'krigged' response surface will be generated. Validity of the subsequent response surface will be interrogated.

pyQCD

Matthew Spraggs

A basic Python package to perform coarse lattice QCD simulations on desktop and workstation computers.

Quantifying Collective Construction

Seth Bullock (Investigator), Nicholas Hill

This was an initial investigation into how best to develop quantifying and discriminating measures of both the processes and results of collective construction.

Real-time CFD for helicopter flight simulation

Kenji Takeda (Investigator), James Kenny

Project aims to show how real-time computational fluid dynamics (CFD) could be used to improve the realism of helicopter flight simulators.

Reforging the Wedding Ring: Exploring a Semi-Artificial Model of Population for the United Kingdom with Gaussian process emulators

Jason Hilton

Note: Jakub Bijak from Social Science is the lead author on this project, which is forthcoming in Demographic Research (http://www.demographic-research.org/)
Co-Authors: Eric Silverman, Viet Dung Cao

We extend the „Wedding Ring? agent-based model of marriage formation to include some empirical information on the natural population change for the United Kingdom together with behavioural explanations that drive the observed nuptiality trends.

Simulating Household Decision Making in Rural Malawi

James Dyke, Kate Schreckenberg (Investigators), Samantha Dobbie

A scoping exercise to determine whether data collection tools of the social sciences can be used effectively in the construction of empirical ABM. Focus fell upon simulating drought coping strategies of Malawian smallholders. Model implementation enabled inferences to be made concerning the impact of drought and input subsidies upon smallholder food security.

Simulating Hydro-geomorphic Changes in European Climate Hotspots

John Dearing (Investigator), Ying Wang

This project will simulate the behaviour of hydro-geomorphological processes in a fluvial system over decadal timescales is an important basis for research on catchment environmental management, especially with regards climate changes and human impacts on fluvial system.

Simulating Sleeping Sickness: a two-host agent-based model

Jason Noble, Peter Atkinson (Investigators), Simon Alderton

Sleeping sickness is a vector-borne, parastic disease which affects millions of people across 36 sub-Saharan African countries. Using agent-based models, we aim to gain a greater understanding of the interactions between the tsetse fly vector and both animal and human hosts.

Building an accurate representation will allow the testing of local interventation scenarios including the closing of watering holes, and the selective spraying of cattle with insecticides.

Simulation modelling of habitat permeability for mammalian wildlife

Patrick Doncaster, Jason Noble (Investigators), Angela Watkins

Using and integrating least-cost models and agent-based simulations to explore the way in which mammals interact with, and hence move, through fragmented landscapes.

Simulation of biological systems at long length and distance scales

Jonathan Essex (Investigator), Kieran Selvon

This project aims to shed light on cell membrane mechanisms which are difficult to probe experimentally, in particular drug permiation across the cell membrane. If one had a full understanding of the mechanism, drugs could be designed to target particular embedded proteins to improve their efficacy, the viability of nano based medicines and materials could also be assessed, testing for toxicity etc.

Simulations investigating droplet diameter-charge models, for predicting electrostatically atomized dielectric liquid spray chracteristics

Gabriel Amine-Eddine (Investigator)

Liquid sprays are atomized using electrostatic methods in many scientific, industrial and engineering applications. Due to jet and droplet breakup mechanisms, these spray plumes contain a range of drop diameters with differing droplet charge levels. Using an transient charged spray CFD code, simulations have been performed to investigate charge-diameter relationship models for predicting dynamics of poly-disperse and electrostatically atomized hydrocarbon sprays.

The methodology developed can be readily extended towards high-pressure spray applications, where secondary atomization plays a dominant role within the spray dynamics and subsequent performance of the spray itself.

Amine-Eddine, G. H. and Shrimpton, J. S. (2013), On simulations investigating droplet diameter–charge distributions in electrostatically atomized dielectric liquid sprays. Int. J. Numer. Meth. Fluids, 72: 1051–1075. doi:10.1002/fld.3776

Software Sustainability Institute

Simon Hettrick (Investigator)

A national facility for cultivating world-class research through software

Software helps researchers to enhance their research, and improve the speed and accuracy of their results. The Software Sustainability Institute can help you introduce software into your research or improve the software you already use.

The Institute is based at the universities of Edinburgh, Manchester, Oxford and Southampton, and draws on a team of experts with a breadth of experience in software development, project and programme management, research facilitation, publicity and community engagement.

We help people build better software, and we work with researchers, developers, funders and infrastructure providers to identify key issues and best practice in scientific software.

Spatial Mobility in the Formation of Agent-Based Economic Networks

Antonella Ianni, Seth Bullock (Investigators), Camillia Zedan

An investigation into the effect of spatial mobility on endogenous economic network formation.

Spatial variability of the atmosphere in southern England

Joanna Nield, Jason Noble, Edward Milton (Investigators), Robin Wilson

No-one really knows how variable key atmospheric parameters such as Aerosol Optical Thickness and Water Vapour content are over relatively small areas. This study aims to find out!

Statistical model of the knee

Mark Taylor (Investigator), Francis Galloway, Prasanth Nair

Development of methods for large scale computational testing of a tibial tray incorporating inter-patient variability.

Tag based transcriptome analysis of gene expression in a promising green algae

Richard Edwards (Investigator), Andreas Johansson

We use SuperSAGE in combination with next-generation sequencing to compare differences in gene expression between selected mutants and the wild type of a green algae. The data in the form of millions of 26 bp tags representing short stretches of expressed genes, will be analysed to find patterns of variation in gene expression under different conditions.

The application and critical assessment of protein-ligand binding affinities

Jonathan Essex (Investigator), Ioannis Haldoupis

A method that can accurately predict the binding affinity of small molecules to a protein target would be imperative to pharmaceutical development due to the time and resources that could be saved. A head-to-head comparison of such methodology, ranging from approximate methods to more rigorous methods, is performed in order to assess their accuracy and utility across a range of targets.

The application of next-generation sequencing to unresolved familial disease

Andrew Collins, Sarah Ennis (Investigators), Jane Gibson, Reuben Pengelly

Next-generation sequencing (NGS) allows us to sequence individual patients cost-effectively, allowing us to enter a new era of genomic medicine. The level of genetic detail that we can access through these methods is unprecedented making it suitable for clinical molecular diagnostics.

The Endogenous Formation of Economic Networks

Antonella Ianni, Seth Bullock (Investigators), Camillia Zedan

An investigation into endogenous network formation using a simple agent-based approach.

The Role of Information in Price Discovery

Antonella Ianni, Seth Bullock (Investigators), Camillia Zedan

The recent economic crisis has highlighted a continued vulnerability and lack of understanding in the financial markets. In order to overcome this, many believe that current market models must be improved. Recently, a trend towards agent-based modelling has emerged. Viewing the economy as a complex system is beginning to be seen as key to explaining certain market characteristics that were originally considered anomalies.

One of the fundamental assumptions in economics is that of information efficiency: that the price of a stock reflects its worth, that all possible information about a security is publicly known, and that any changes to price take place instantaneously. In reality, however, this is not the case.

This project considers the use of agents in modelling economic systems and demonstrates the effect of information levels on price discovery using a simple market simulation.

Today's Computation Enabling Tomorrow's Seamless Communication

Lajos Hanzo (Investigator), Varghese Thomas

Radio Over Fibre (ROF) is a communication technique that aims to gainfully amalgamate the benefits of optical and wireless communication, while keeping the system cost low. This technique would support the next generation of wireless services.

Traveling and movement during European Late Prehistory

Patricia Murrieta Flores

This project has as main purpose to investigate through spatial analysis and computational modelling the variables and factors that influenced how humans traveled during prehistoric times.
One of the principal objectives will be to clarify the role that certain landscape elements (i.e megalithic monuments) played in terrestrial navigation and territorial definition.

This project is supported by CONACYT (Mexico) as a doctoral research by Patricia Murrieta-Flores under the supervision of Dr. David Wheatley (University of Southampton) and Dr. Leonardo Garcia Sanjuan (University of Seville, Spain). It also counts with the collaboration of Dr. Dimitrij Mlekuz (Gent University, Belgium).

Validation of a spatial-temporal soil water movement and plant water uptake model

Tiina Roose, Sevil Payvandi (Investigators), James Heppell

We develop a model that estimates the water saturation level within the soil at different depths, and the uptake of water by the root system. Data from Smethurst et al (2012) is used to validate our model and obtain a fully calibrated system for plant water uptake. When compared quantitatively to other models such as CROPWAT, our model achieves a better fit to the experimental data because of the simpler, first, second and third order terms present in the boundary condition, as opposed to complicated non-linear functions.

Validation of GPS-derived water vapour estimates

Joanna Nield, Jason Noble, Edward Milton (Investigators), Robin Wilson

Measurements from GPS base stations can be processed to provide estimates of the water vapour content in the atmosphere. These are lots of these base stations across the world and they take measurements very frequently, making them perfect data sources for scientific use. However, we need to understand their accuracy - and this project aims to do this.

Vertical turbulence structures in the benthic boundary layer as related to suspended sediments

Hachem Kassem (Investigator), Charlie Thompson

There is a genuine need for better, more robust modelling of suspended sediment transport in the coastal zone, both to understand its morphological evolution and it's impact on biogeochemical cycling, ecosystems services and to guide engineering applications such as dredging and defence schemes against erosion and flooding.
The suspension of sediment in turbulent flows is a complex case of fluid-particle interaction, governed by shear stresses (momentum exchanges) at the bed and within the benthic boundary layer (BBL). The intermittent transfer of momentum is a manifestation of coherent turbulent vortex structures within the flow. The passage of such structures (or clusters of) is often related to perturbations of bottom sediment, which may be entrained and maintained in suspension if sufficient turbulent energy is provided. The first part of my PhD investigated the temporal and scale relationships between wave–generated boundary layer turbulence and event–driven sediment transport in oscillatory flow in the nearshore. This involved complex statistical, spectral, quadrant and wavelet analysis of high frequency nearshore measurements of turbulence and suspended sediments (medium sand), collected as part of the EU-funded Barrier Dynamics Experiment II (BARDEX II). The following step aims to develop a 3D numerical model in OpenFOAM which would reproduce the fine scale turbulence structures observed over a fixed rippled bed in oscillatory flow. The 3D velocity field, turbulent components, correlations (stresses) and quadrant structures will then be linked to observed sediment resuspension events. The model will be validated against a set of laboratory experiments undertaken at the Fast Flow Facility at HR Wallingford.

Whisky Code

Ian Hawke (Investigator)

A 3D finite volume code for simulating compact relativistic hydrodynamics.

Wind direction effects on urban flows

Zheng-Tong Xie, Ian Castro (Investigators), Jean Claus

Numerical simulations of turbulent air flow are conducted on Iridis to investigate the effects of different wind directions on the flow within and above an urban-like canopy.

µ-VIS Computed Tomography Centre

Ian Sinclair, Richard Boardman, Dmitry Grinev, Philipp Thurner, Simon Cox, Jeremy Frey, Mark Spearing, Kenji Takeda (Investigators)

A dedicated centre for computed tomography (CT) at Southampton, providing complete support for 3D imaging science, serving Engineering, Biomedical, Environmental and Archaeological Sciences. The centre encompasses five complementary scanning systems supporting resolutions down to 200nm and imaging volumes in excess of one metre: from a matchstick to a tree trunk, from an ant's wing to a gas turbine blade.