This PhD is an opportunity to be part of a team looking at cutting edge Li battery materials, during which you will acquire multiscale materials modelling and high performance computing skills enhancing your career prospects across a number of different fields.
Find out more: http://www.lboro.ac.uk/study/postgraduate/supporting-you/research/
Full Project Detail:
LISSBs are an emerging technology that uses a solid-state electrolyte (SSE) material to replace the conventional flammable liquid electrolyte. Whilst this sounds plausible, two main obstacles restrict the energy storage performance, 1) low ion diffusivity of the SSE and 2) low capacity of the electrolyte to match the electrode/electrolyte interface. Several high-capacity materials have been proposed but these undergo significant volume changes during battery charge and discharge that can fracture the entire battery.
This studentship project aims to (i) investigate fundamental structural/property mechanisms such as Li ion diffusion and defect chemistry within promising battery materials; ii) expand this knowledge to develop models of interfaces and calculating experimentally relevant properties which will be used to design strategies for improved electrochemical performance.
The methodology will use numerical quantum mechanics, molecular dynamics and extended time scale techniques. The project will utilise high performance computing (HPC) systems at Loughborough and nationally to investigate equilibrium and dynamic evolution of systems of atoms over a range of time and length scales. These techniques will allow direct comparison with experimental work being carried out with experimental collaborators in Birmingham and St. Andrews.
Strong numeracy and numerical methods skills and a willingness to learn programming and parallel computing techniques are essential requirements for this project. The candidate will be required to attend seminars and other internal events regularly.
The PhD student will be supported through joint weekly research meetings and trained on technical, industry relevant skills such as drafting publications and presenting at international conferences. There will be opportunities to travel nationally and internationally. The supervisory team have successfully supervised joint PhD students, now working in industry and international labs such Los Alamos National Lab in USA.
We actively encourage applicants from women, disabled and Black, Asian and Minority Ethnic candidates, who can bring their experiences and voices to the studentship.
Applicants should have, or expect to achieve, at least a 2:1 Honours degree (or equivalent) in Mathematics, Physics, Chemistry, Materials Science or a related subject. A relevant Master’s degree and/or experience in one or more of the following is desirable: Python, Matlab, C, Density Functional Theory, Molecular Dynamics, HPC.
The studentship is for 4 years and provides a tax-free stipend of £15,285 per annum plus tuition fees at the UK/EU rate. Due to funding restrictions, this is only available to those who are eligible to pay UK/EU fees. In order to qualify for a full award, all applicants must meet the EPSRC eligibility criteria including the minimum UK residency requirement https://www.epsrc.ac.uk/skills/students/help/eligibility/.
Contact details:
Prof. Smith or Dr Goddard
Email address: [Email Address Removed], [Email Address Removed]
Telephone number: +44 (0) 1509 223192
How to apply:
All applications should be made online at http://www.lboro.ac.uk/study/apply/research/. Under programme name, select Maths.
Please quote reference number: RS/MA/2021.
Application details:
Reference number: RS/MA/2021
Start date of studentship: 01 July 2021
Closing date of advert: 17 June 2021
Interview date: 18 June 2021
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