Chemistry: Fully Funded EPSRC and TATA Steel PhD Scholarship: Computational chemistry supported investigation of sustainable organic coatings for next generation coated steel products
Funding providers: Engineering and Physical Sciences Research Council (EPSRC) and TATA Steel
Subject areas: Chemistry, Computer Science
Project start date:
- 1 October 2022 (Enrolment open from mid-September)
Supervisors:
- Dr Francisco Martin-Martinez (academic)
- Christopher Mills (industrial)
- Dr Ian Mabbett (academic)
Aligned programme of study: PhD in Chemistry
Mode of study: Full-time
Project description:
Global challenges associated with resource scarcity, climate change, overpopulation and overconsumption have resulted in recent global and regional initiatives such as the United Nation’s 2030 Agenda with the sustainable development goals (SDGs), and the European Green Deal. Such initiatives, in parallel with social concerns, have finally highlighted the importance of driving sustainability across most of the sectors of our society. Aligning with these ambitions of achieving climate neutrality by 2050, implementing circular economy principles, reducing waste, and increasing materials efficiency and resiliency, the steel industry must make pioneering changes towards new product and process developments for all its upstream and downstream value chain operations. To this end, this project aims to computationally design sustainable organic coated steel (OCS) products with tailored functional properties that meet operational performance while addressing environmental and social concerns. Atomistic modelling methods, from Density Functional Theory (DFT) calculations to Molecular Dynamics simulations, in combination with machine learning (ML) algorithms and big data analytical techniques are expected to be used and/or developed during the project. Thus, experience with DFT, MD, ML and/or python programming are desired. Tata Steel is one of the World’s leading steel producers, with steelmaking in Port Talbot in Wales and manufacturing and distribution operations across the UK . The company supplies high-quality steel products to the most demanding markets, including construction and infrastructure, automotive, packaging and engineering. Tata Steel works closely with customers to develop new steel products which give them a competitive edge. The Tata Steel group is among the top global steel companies with an annual crude steel capacity of 34 million tonnes. It is one of the world’s most geographically-diversified steel producers, with operations and a commercial presence across the world. The group’s turnover (excluding its South East Asia operations) in the year ending 31st March 2020 was US $19.7 billion.
Established in 1920, Swansea University is a non-profit public higher education institution located in the suburban setting of the large town of Swansea (population range of 50,000-249,999 inhabitants), Wales. Officially accredited and/or recognized by the Privy Council, Swansea University is a large (uniRank enrollment range: 15,000-19,999 students) coeducational higher education institution. Swansea University offers courses and programs leading to officially recognized higher education degrees such as pre-bachelor degrees (i.e. certificates, diplomas, associate or foundation degrees), bachelor degrees, master degrees, doctorate degrees in several areas of study. See the uniRank degree levels and areas of study matrix below for further details. This 99 years old higher-education institution has a selective admission policy based on entrance examinations and students' past academic record and grades. International applicants are eligible to apply for enrollment.