Computational Modelling Group

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.

Advanced modelling for two-phase reacting flow

Edward Richardson (Investigator)

Engine designers want computer programs to help them invent ways to use less fuel and produce less pollution. This research aims to provide an accurate and practical model for the injection and combustion of liquid fuel blends.

Advanced simulation tools for prediction of flash-back in hydrogen-rich gas turbine combustion

Edward Richardson (Investigator), James Bailey

The project involves the numerical simulation of hydrogen-rich flows using Direct Numerical Simulation (DNS) and Large Eddy simulations. Hydrogen rich fuels offer the opportunity to reduce the carbon intensity of energy supply. Hydrogen-rich fuels and other low-carbon energy sources are expect to become increasingly important in this regard. Hydrogen is more reactive and diffusive than conventional hydrocarbon fuels requiring advanced computational methods to optimise the use of these fuels in gas turbines.

Aerofoil noise

Richard Sandberg (Investigator)

High-performance computing is used to identify noise sources on aerofoils.

Antimicrobial Peptide and E. coli Membrane Interactions

Syma Khalid (Investigator), Thomas Piggot, Nils Berglund

Antimicrobial peptides (AMPs) are known to disrupt the membranes of bacterial cells such as E. coli. I work on investigating the nature of these interactions using molecular dynamics (MD) simulations.

Application of RNA-Seq for gene fusion identification in blood cancers

William Tapper (Investigator), Marcin Knut

Gene fusions are often the cause of different blood cancers. As such, accurate identification of them provides information on the underlying cause of a cancer, ensuring appropriate choice of treatment. However, due to shortcomings of the currently applied methods for gene fusion identification, some of them escape undetected. We are employing RNA-Seq, a cutting-edge method for sequencing RNA, the messenger of genetic information, to investigate gene fusions.

Automatic Image Retrieval with Soft Biometrics for Surveillance

Mark Nixon, John Carter (Investigators), Daniel Martinho-Corbishley

We're investigating ways to automatically describe and identify pedestrians from surveillance footage using human understandable, soft biometric labels. Our goal is to enable surveillance operators to search for pedestrians in a video network using soft biometric descriptions, and to automatically retrieve these descriptions from CCTV images.

B-meson coupling with relativistic heavy quarks

Jonathan Flynn (Investigator), Ben Samways, Dirk Broemmel, Patrick Fritzsch

We non-perturbatively compute the coupling between B* and B pi meson states relying on relativistic heavy quarks and domain wall light fermions. The coupling is of importance for an effective description of hadronic heavy meson decays.

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.

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.

BRECcIA - Building REsearch Capacity for sustainable water and food security In sub-saharan Africa

The BRECcIA project is aimed at developing research and researchers to understand water and food security challenges in sub-Saharan Africa

Cellular Automata Modelling of Membrane Formation and Protocell Evolution

Seth Bullock (Investigator), Stuart Bartlett

We simulated the meso-level behaviour of lipid-like particles in a range of chemical and physical environments. Self-organised protocellular structures can be shown to emerge spontaneously in systems with random, homogeneous initial conditions. Introducing an additional 'toxic' particle species and an associated set of synthesis reactions produced a new set of ecological behaviours compared to the original model of Ono and Ikegami.

Centre for Doctoral Training in Next Generation Computational Modelling

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

Chaotic Analysis of Partial Discharge

Paul Lewin (Investigator), Lyuboslav Petrov

The deterministic character of PD pulses predicted by theory has been shown to be existent for certain PD events. Finding characteristic patterns in phase space enables field-data PD detection with high reliability.

Colonising Polynesia; Uncertain sailing craft route modelling

Thomas Dickson (Investigator), David Sear

Through developing a novel methodology of modelling sailing craft routing it is possible to investigate archaeological problems as well as applications to modern yacht racing and autonomous sailing technology. This research uses iridis to provide accurate and fast analysis of shortest path routes for sailing craft in order to provide insight and improve safety of operation.

Complexity in Modelling Electric Marine Propulsive Devices

Suleiman Sharkh, Neil Bressloff, Hans Fangohr (Investigators), Aleksander Dubas

This project involves the simulation of turbulent flow around a marine rim-driven thruster and the complex interaction of flow features involved through computational fluid dynamics. Following this, the optimisation of design parameters using computational fluid dynamics to calculate the objective function is performed and surrogate modelling utilised to estimate optimum design configuration.

Cosmological evolution of supermassive black holes in the centres of galaxies

Anna Kapinska (Investigator)

Radio galaxies and quasars are among the largest and most powerful single objects known and are believed to have had a significant impact on the evolving Universe and its large-scale structure. Their jets inject a significant amount of energy into the surrounding medium, hence they can provide useful information in the study of the density and evolution of the intergalactic and intracluster medium. The jet activity is also believed to regulate the growth of massive galaxies via the AGN feedback. In this project, through the use of numerical simulations, I explore the intrinsic and extrinsic physical properties of the population of Fanaroff-Riley II (FR II) objects, i.e. their kinetic luminosities, lifetimes, and central densities of their environments. This allows one to investigate evolution of these radio sources across cosmic time, and to discuss the significance of the impact of these sources on the evolving Universe.

Coupled multi-scale simulation of high Reynolds number airfoil flows

Neil Sandham, Nicola De Tullio (Investigators), David Lusher

Application of multi-scale nested direct numerical simulations to high Reynolds number aerofoil flows.

Deep Optimisation

Jamie Caldwell

The project will develop the implementation and application of a new optimisation technique. 'Deep optimisation' combines deep learning techniques in neural networks with distributed optimisation methods to create a dynamically re-scalable optimisation process. This project will develop this technique to better-understand its capabilities and limitations and develop GPU implementations. The protein structure prediction problem will be used as the main test application.

Development of a novel Navier-Stokes solver (HiPSTAR)

Richard Sandberg (Investigator)

Development of a highly efficient Navier-Stokes solver for HPC.

Development of wide-ranging functionality in ONETEP

Chris-Kriton Skylaris (Investigator), Jacek Dziedzic

ONETEP is at the cutting edge of developments in first principles calculations. However, while the fundamental difficulties of performing accurate first-principles calculations with linear-scaling cost have been solved, only a small core of functionality is currently available in ONETEP which prevents its wide application. In this collaborative project between three Universities, the original developers of ONETEP will lead an ambitious workplan whereby the functionality of the code will be rapidly and significantly enriched.

Direct Numerical Simulations of transsonic turbine tip gap flow

Richard Sandberg (Investigator)

Direct Numerical Simulations are conducted of the transsonic flow through the tip gap at real engine conditions.

Dynamag: computational magnonics

Hans Fangohr, Atul Bhaskar (Investigators), Matteo Franchin, Andreas Knittel

Analytical treatment of long range magneto-dipole interactions is a bottle-neck of magnonics and more generally of the theory of spin waves in non-uniform media. This project develops a theoretical framework for analysis of magnonic phenomena in magnetic nano-structures, including isolated nano-elements, arrays of those, and extended magnonic crystals. The DYNAMAG project is funded by the EU FP7 and the DST of India.

Dynamics of interacting magnetic nanoparticles

Thomas Fischbacher (Investigator), Maximilian Albert

The project aims at extending the micromagnetic simulation framework 'nmag' developed at the University of Southampton to enable it to handle dynamic geometries. The extended framework will then be used to study systems such as interacting magnetic nanoparticles.

Dynamics simulations for quantum feedback to steer a single-particle harmonic oscillator in non-classical states

Hendrik Ulbricht (Investigator), Ashley Setter

This PhD project is about using digital electronics to implement a parametric feedback loop to modulate the intensity of an optical trapping laser in order to stabilise/cool the centre of mass motion of a nanoparticle. It is then intended we use digital parametric feedback to drive the motion of the particle, which is essentially a quantum harmonic oscillator, into non-classical quantum states such as squeezed and number states.

Eddy-resol?ving Simulation?s for Turbomachi?nery Applicatio?ns

Richard Sandberg (Investigator), Li-Wei Chen

Traditionally, the design of turbomachinery components has been exclusively accomplished with steady CFD, with Reynolds Averaged Navier-Stokes (RANS) models being the predominant choice. With computing power continuously increasing, high-fidelity numerical simulations of turbomachinery components are now becoming a valuable research tool for validating the design process and continued development of design tool.
In the current project, Direct Numerical Simulations (DNS) and other eddy-resolving approaches will be performed of turbomachinery components to establish benchmark data for design tools, and to investigate physical mechanisms that cannot be captured by traditional CFD approaches.

First Principles Simulation of Glycine Adsorption to Amorphous Silica

Chris-Kriton Skylaris (Investigator), Benjamin Lowe

Understanding the molecular interactions between silica and biomolecules is an important in the fields of Bionanotechnology, Biomimetic Material Science and Prebiotic Chemistry. DFT calculations were performed based on a literature study to better understand the interaction between silica and glycine.

Fluid Dynamics Optimisation of Rim-Drive Thrusters and Ducted Hydrokinetic Generators

Aleksander Dubas, Suleiman Sharkh (Investigators)

This is a Knowledge Transfer Partnership project is a collaboration between the University of Southampton and TSL Technology Ltd. to develop computational fluid dynamics software design tools for modelling and optimising the design of propeller thrusters and water turbine generators.

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?”

Fluid Structure Interactions of Yacht Sails

Stephen Turnock (Investigator), Daniele Trimarchi

The research is the main subject of the PhD topic. It regards the application of fluid structure interaction techniques to the domain of yacht sails simulation

High-resolution shock-capturing (HRSC) methods for elastic matter in general relativity

Carsten Gundlach, Ian Hawke, Stephanie Erickson (Investigators)

We are designing HRSC methods for numerical simulation of elastic matter coupled to general relativity and later magnetic fields, with the ultimate aim of simulating old neutron stars, which have elastic crusts.

Hybrid quantum and classical free energy methods in computational drug optimisation

Jonathan Essex, Chris-Kriton Skylaris (Investigators), Christopher Cave-Ayland

This work is based around the application of thermodynamics and quantum mechanics to the field of computational drug design and optimisation. Through the application of these theories the calculation of the physical properties of drug-like molecules is possible and hence some predictive power for their pharmaceutical activity in vivo can be obtained.

Hybrid RANS/LES methods

Richard Sandberg (Investigator), Markus Weinmann

Novel hybrid RANS/LES methods are developed for more accurate and efficient simulation of flow over complex geometries.

Integrating Automated Vehicles into the Transport Network

Bani Anvari, Ben Waterson (Investigators), Craig Rafter

Innovative new designs to transportation infrastructure - with a strong evidence base - that will support automated vehicles to maximize sustainability in the transport network.

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.

Is fine-scale turbulence universal?

Richard Sandberg (Investigator), Patrick Bechlars

Complementary numerical simulations and experiments of various canonical flows will try to answer the question whether fine-scale turbulence is universal.

Jet noise

Richard Sandberg (Investigator), Neil Sandham

Direct numerical simulations are used to investigate jet noise.

Lagrangian modelling of ecosystem dynamics at the Bermuda Atlantic Time-series Study station

Tom Anderson, Seth Bullock (Investigators), Melissa Saeland

Focus in the marine ecosystem modelling community is starting to shift towards the use of Lagrangian, agent-based models as these are believed to produce more realistic results. The basic assumptions behind these models have not been thoroughly tested, and this project aims to undertake a detailed study of Lagrangian marine ecosystem models, before creating one to investigate the dynamics at the Bermuda Atlantic Time-series Study station (BATS).

Laminar to Turbulent Transition in Hypersonic Flows

Neil Sandham, Heinrich Luedeke

Understanding of laminar to turbulent transition in hypersonic boundary-layer flows is crucial for re-entry vehicle design and optimization. The boundary-layer state directly affects the temperatures on the vehicle surface and its viscous drag. Therefore transition has to be considered to correctly compensate for drag and to properly design the thermal protection system.
For the proposed study, in order to obtain a clear understanding of the transition process, the configuration is kept as simple as possible by varying only a minimum number of parameters affecting transition on a simple test geometry such as a swept ramp at different sweep angles. To investigate the influence of such sweep angles on the transition process in the hypersonic regime, Direct Numerical Simulations (DNS) of the turbulent flow field are carried out on the Iridis cluster.

Mathematical modelling of plant nutrient uptake

Tiina Roose (Investigator)

In this project I will describe a model of plant water and nutrient uptake and how to translate this model and experimental data from the single root scale to the root branching structure scale.

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.

Micromagnetic simulation of Magnetoelectric Multiferroics

Hans Fangohr (Investigator), Rebecca Carey

The focus of this project is towards the understanding of the magnetic and electric couplings in multiferroic materials, in order to create a magnetoelectric micromagnetic model.

Microstructural modeling of skin mechanics

Georges Limbert (Investigator), Emanuele Zappia

Microstructural modeling of skin mechanics to gain a mechanistic insight into the biomechanics of the skin.

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 micromagnetism at elevated temperature

Hans Fangohr, Kees de Groot, Peter de_Groot (Investigators), Dmitri Chernyshenko

We aim to develop a multiscale multiphysics model of
micromagnetism at elevated temperatures with atomistic simulations for
material parameter. The tool will be used to guide the development of the next generation magnetic data storage technology: heat assisted magnetic recording.

Modelling of neutron star interactions in X-ray binary systems

Malcolm Coe (Investigator), Rory Brown

Investigating the X-ray production mechanisms of binaries containing neutron stars and the decretion disks of Be stars using Smoothed Particle Hydrodynamics (SPH).

Modelling the morphodynamic evolution of the Ganges-Brahmaputra-Meghna (GBM) Delta over centennial time scales

Stephen Darby (Investigator), Balaji Angamuthu

Around 0.5 Billion people live in deltaic environments where they are threatened by flooding and land loss frequently. Yet, our understanding of the threats posed by land dynamic process remains limited. In this work, we try to address this issue through a land dynamic simulation of the largest and most populated of all the deltas, the GBM Delta, using the CFD software Delft3D for a range of climate change and management scenarios. The results provide new insight into the factors controlling past morphodynamics that, in turn, are helpful when assessing the possible trajectories of future evolution.

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.

Multiscale modelling of neutron star oceans

Ian Hawke (Investigator), Alice Harpole

Type I X-ray bursts are explosions which occur on the surface of some
neutron stars. It is believed that the burning begins in a localised spot in the ocean of the
star before spreading across the entire surface. By gaining a better understanding of X-ray
bursts, it is hoped that tighter limits can be determined for other neutron star properties
such as the radius and magnetic field strength.

Next Generation Space Debris Environment Model

Hugh Lewis (Investigator), Samuel Diserens

Developing a next generational model of the space debris environment. Including inter-disciplinary issues related to space debris, space operations, space situational awareness, space weather, commercialisation, possible conflicts in space and regulation

NGCM-0054 - Automatic Code Generation for Computational Science

Hans Fangohr (Investigator), Gary Downing

Automatically generate code to solve partial differential equations specified symbolically.

On the applicability of nonlinear timeseries methods for partial discharge analysis

Paul Lewin (Investigator), Lyuboslav Petrov

The governing processes of Partial Discharge (PD)
phenomena trigger aperiodic chains of events resulting in ’ap-
parently’ stochastic data, for which the widely adopted analysis
methodology is of statistical nature. However, it can be shown,
that nonlinear analysis methods can prove more adequate in
detecting certain trends and patterns in complex PD timeseries.
In this work, the application of nonlinear invariants and phase
space methods for PD analysis are discussed and potential pitfalls
are identified. Unsupervised statistical inference techniques based
on the use of surrogate data sets are proposed and employed for
the purpose of testing the applicability of nonlinear algorithms
and methods. The Generalized Hurst Exponent and Lempel Ziv
Complexity are used for finding the location of the system under
test on the spectrum between determinism and stochasticity. The
algorithms are found to have strong classification abilities at
discerning between surrogates and original point series, giving
motivation for further investigations.

OpenDreamKit

Hans Fangohr (Investigator), Marijan Beg

OpenDreamKit is a [Horizon 2020](https://ec.europa.eu/programmes/horizon2020/) European Research Infrastructure project (#676541) providing substantial funding to the open-source computational mathematics ecosystem, and in particular popular tools such as LinBox, MPIR, SageMath, GAP, Pari/GP, LMFDB, Singular, MathHub, and the IPython/Jupyter interactive computing environment.

Optical Characterisation of Black Silicon for Photovoltaics Using the Finite Element Method

Jack Tyson (Investigator)

Here we present a novel method of simulating the reflectance spectra of black silicon solar cells using the finite element method. Designed in COMSOL Multiphysics is a new set of algorithm-controlled-geometries rendering a vast array of different structural permutations of silicon nanowires. Our model focused on the variation of this geometry within customisable predefined conditions in large output quantities, collated and averaged to reliably determine the reflectance of an entire black silicon solar cell.

Origins of Evolvability

Richard Watson, Markus Brede (Investigators), William Hurndall

This project examined the putative evolvability of a Lipid World model of fissioning micelles. It was demonstrated that the model lacked evlovability due to poor heritability. Explicit structure for micelles was introduced along with a spatially localised form of catalysis which increased the strength of selection as coupling between potential chemical units of heredity were reduced.

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.

Precision study of critical slowing down in lattice simulations of the CP^{N-1} model

Jonathan Flynn, Andreas Juttner (Investigators), Andrew Lawson

This project involves the study of critical slowing down (CSD): a property that may arise when taking measurements in Monte Carlo simulations. In order to study and quantify this phenomenon we have performed extensive simulations of the CP^{N-1} model. By studying the properties of the Monte Carlo algorithms in this model, we hope to make algorithmic improvements that can then be employed in simulations of physical quantum field theories, such as in lattice quantum chromodynamics (lattice QCD).

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.

Pushing the Envelope of Planetary Formation and Evolution Simulations

Peter Bartram

A full understanding of the formation and the early evolution of the Solar System and extrasolar planetary systems ranks among natural science's grand challenges, and at present, even the dominant processes responsible for generating the observed planetary architecture remain elusive.

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.

Sample tracking in whole-exome sequencing projects

Andrew Collins, Sarah Ennis (Investigators), Reuben Pengelly

Whole-exome sequencing is entering clinical use for genetic investigations, and it is therefore essential that robust quality control is utilised. As such we designed and validated a tool to allow for unambiguous tying of patient data to a patient, to identify, and thus prevent errors such as the switching of samples during processing.

Self-Force and Black Hole Inspirals

Sam Dolan (Investigator)

We use IRIDIS to compute the self-force acting on a solar-mass black hole orbiting a supermassive black hole.

Sensitivity of the critical depth to the choice of particle movement rules in Lagrangian models and the consequences for the predicted timing of the spring bloom

Tom Anderson (Investigator), Melissa Saeland

Individual-based (Lagrangian) models lend themselves to the study of the controls of the spring bloom in the ocean, due to their ability to represent both the turbulence and the phytoplankton motion. Here, we use a Lagrangian phytoplankton model to test some of the most prevalent hypotheses (e.g. critical depth and critical turbulence).

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.

Skyrmionic states in confined nanostructures

Hans Fangohr (Investigator), Marijan Beg

An ever increasing need for data storage creates great challenges for the development of high-capacity storage devices that are cheap, fast, reliable, and robust. Because of the fundamental constraints of today's technologies, further progress requires radically different approaches. Magnetic skyrmions are very promising candidates for the development of future low-power, high-capacity, non-volatile data storage devices.

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.

Space Debris and Evolution of of Resilient Space Systems

Hugh Lewis (Investigator), Marian Daogaru

The aim of the project will be to characterise and quantify the possible evolution of space systems in response to future environmental change; in particular, with respect to changes in the space debris environment.

Space debris has been recognised by the international space-faring community as a significant threat to spacecraft operations in Earth orbit. Impacts on spacecraft can result in damage to critical systems, the loss of the mission, and the generation of fragment clouds which may go on to endanger other spacecraft. With the population of objects in near-Earth orbit ever-increasing, future space systems will need to develop greater resilience to the growing space debris threat. Resilience to this threat can be achieved in several ways, through adaptation, redundancy, protection, distribution and restoration, for example.

These resilience measures can be included within space systems design, which is a multi-objective optimisation process, such that the resulting spacecraft or architectural design is well-suited for operation in the space environment, whilst at the same time respecting mass, power, and cost constraints, amongst others. However, rapidly changing priorities in the space sector and changes in the debris population mean that optimal designs will need to evolve through time such that successive generations of spacecraft continue to be, or are better adapted to survive in the space environment. At the same time, better adapted spacecraft represent a possibly beneficial feedback into the space debris environment, meaning that future generations of spacecraft will also be indirectly affected by the designs of previous generations (and vice versa). Consequently, the multi-objective optimisation needs to be integrated with an appropriate space debris model.

The development of this integrated assessment and optimisation approach, and its application to identify future trends in space systems design, will form the basis of the project. Firstly, an appropriate methodology for identifying and representing the key design objectives, including concepts such as resilience, will be developed. Secondly, this methodology will be incorporated within a novel integrated assessment framework that will perform the multi-objective design optimisation through time.

Given the potential complexity of this task, arising from the large parameter space and the uncertainties in the future debris environment predictions, there will be a need for new and state-of-the-art computational modelling and optimisation approaches that enable solutions to be found in a reasonable time-frame. Such approaches could include evolutionary algorithms and particle swarm optimisation techniques. In addition, the project will also benefit from developments in space debris modelling coming from a parallel project.

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!

Stratified combustion physics and modelling

Edward Richardson (Investigator)

Full-resolution simulation data for turbulent combustion are used to investigate the fundamental impact, and practical modelling, of fuel-air stratification.

Supernova Rates in the Local Universe

Mark Sullivan (Investigator), Christopher Frohmaier

This project will calculate the frequency of exploding stars -- or supernovae -- in the nearby universe. We simulate a 'toy universe' by exploding billions of stars in a computer, and then artificially 'observing' these explosions by replicating a real astronomical sky survey, the Palomar Transient Factory (PTF). The results of this simulation allows us to discover the rate at which supernovae occur in the local universe each year.

Supersonic axisymmetric wakes

Richard Sandberg (Investigator)

Direct numerical simulations are used to shed more light on structure formation and evolution in supersonic wakes.

Sustainable domain-specific software generation tools for extremely parallel particle-based simulations

Chris-Kriton Skylaris (Investigator)

A range of particle based methods (PBM) are currently used to simulate materials in chemistry, engineering, physics and biophysics. The 4 types of PBM considered directly in the proposed are molecular dynamics (MD), the ONETEP quantum mechanics-based program, discrete element modelling (DEM), and smoothed particle hydrodynamics (SPH).
The overall research objective is to develop a sustainable tool that will deliver, in the future, cutting edge research applicable to applications ranging from dam engineering to atomistic drug design.

Test and Rest

Hans Fangohr (Investigator), Evander DaCosta, James Graham, Oliver Laslett

Regression and system testing, automatic execution of testing - establishing best practice.

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 Ca-geospeedometer - A tool for investigating the processes that generate oceanic crust

We quantify the errors inherent in the current methods of geospeedometry, which lets one obtain the cooling rate of a rock, using mineral trace element chemistry. Calcium-in-Olivine geospeedometry is useful for deep ocean crust.

We want to use this proxy to figure out how ocean crust actually accretes, it provides key evidence as to how magma chambers and hydrothermal systems interact to produce new lithosphere. But to do so we first have to determine how reliable the method is and therefore how much can be inferred from results.

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 Maximum Entropy Production Principle and Natural Convection

Seth Bullock, James Dyke (Investigators), Stuart Bartlett

In this project I wanted to perform some tests of the so-called Maximum Entropy Production Principle (MEPP) in the context of buoyancy-driven convection in a system with negative feedback boundary conditions.

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.

The use of channel wings for slow speed UAV flight

Andy Keane (Investigator), Juraj Mihalik

In this project, advanced computational modeling and robust design optimization tools are used to observe the possibility of use of the Custer channel wings for slow speed UAV flights.

Towards biologically-inspired active-compliant-wing micro-air-vehicles

Richard Sandberg (Investigator), Sonia Serrano-Galiano

Despite a good knowledge of the physiology of bats and birds, engineering applications with active dynamic wing compliance capability are currently few and far between. Recent advances in development of electroactive materials together with high-fidelity numerical/experimental methods provide a foundation to develop biologically-inspired dynamically-active wings that can achieve "on-demand" aerodynamic performance. However this requires first to develop a thorough understanding of the dynamic coupling between the electro-mechanical structure of the membrane wing and its unsteady aerodynamics. In this collaborative initiative between the University of Southampton and Imperial College London, we are developing an integrated research programme that carries out high-fidelity experiments and computations to achieve a fundamental understanding of the dynamics of aero-electro-mechanical coupling in dynamically-actuated compliant wings. The goal is to utilise our understanding and devise control strategies that use integral actuation schemes to improve aerodynamic performance of membrane wings. The long-term goal of this project is to enable the use of soft robotics technology to build integrally-actuated wings for Micro Air Vehicles (MAV) that mimic the dynamic shape control capabilities of natural flyers.

Towards Exascale computing in particle physics

Andreas Juttner, Jonathan Flynn (Investigators), James Harrison

Lattice QCD

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).

Water molecules in drug development: can we predict drug affinity when water molecules are involved?

Jonathan Essex (Investigator), Hannah Bruce Macdonald, Christopher Cave-Ayland

Water molecules are often found to be involved in drug-protein binding and can influence the effectiveness of a drug. We aim to aid drug design by calculating the energies involved with complexes of drugs, proteins and water molecules to predict the affinities of drug molecules.

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.