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  Atomistic modelling of the effect of hydrogen on steel ductility


   Engineering

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  Dr S Blackwell  Applications accepted all year round

About the Project

Hydrogen in its atomic form is the most abundant element in the universe. It is also the smallest atom and as such can penetrate the lattice of a wide range of materials including steels. It is often a product of cathodically protected components such as offshore structures and subsea pipelines, and this process can lead to a gradual increase in the hydrogen concentrations. This is of great significance because hydrogen has a deleterious effect upon material toughness and this loss of toughness has been the primary cause of costly in-service failures. Despite the obvious interest in hydrogen, the fundamental reasons for hydrogen cracking are still not well understood. TWI has amassed a considerable amount of empirical data and wish to convert this into a robust understanding. It is therefore important that a more detailed understanding is generated, using atomistic modelling techniques.

Loughborough University’s (LU) department of Mathematical Sciences has recently advanced atomistic modelling methods so that they can be extended to the prediction of physical behaviour over longer periods of time than previously possible. Classical molecular dynamics (MD) is combined with a long time scale dynamics (LTSD) technique in order to model physical behaviour over time scales of seconds, minutes and perhaps even hours, rather than the typical 10-6 seconds previously attainable using MD alone. It is proposed that these modelling techniques be applied to the problem described above of hydrogen cracking. Studies of hydrogen in pure iron and iron with the addition of other chemical elements will be undertaken, which will involve the development of complicated interatomic potentials to describe all atomic interactions. The output from the modelling will provide a greater understanding of the behaviour of hydrogen within iron based microstructures where cracks, dislocations and defects are present. Skills in computer programming are an advantage, particularly knowledge of Python.

A number of fully-funded PhD scholarships are available for suitable candidates with a strong interest in fundamental and applied research in the area of structural integrity. Scholarships cover an amount to £16,000 per annum for 3 years, Home/EU tuition fees and support for research. Overseas applicants are welcomed, with total funding capped at £20k/year.

Candidates should have a relevant degree at 2.1 minimum, or an equivalent overseas degree in mechanical, Electrical/Electronics or Civil/Structural Engineering, Material Science, Metallurgy or Physics. Candidates with suitable work experience and strong capacity in numerical modelling and experimental skills are particularly welcome to apply. Overseas applicants should also submit IELTS results (minimum 6.5) if applicable.

To apply, please send your CV and transcript of university study, with a cover letter specifying your interest and research topic to the following email address: [Email Address Removed]
Please direct general enquiries to: [Email Address Removed]

About NSIRC
NSIRC will be a state-of-the-art postgraduate engineering facility established and managed by structural integrity specialist TWI, working closely with lead academic partner Brunel University, the universities of Cambridge, Manchester, Loughborough, Birmingham, Leicester and a number of leading industrial partners. NSIRC aims to deliver cutting edge research and highly qualified personnel to its key industrial partners.

For more information about The National Structural Integrity Research Centre, visit www.nsirc.co.uk

 About the Project