ITER

Mechanical Properties of Materials for Fusion Power Plants

Combined Modelling and Experimental Project

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Location: Queen's University Belfast, School of Mathematics and Physics: Theory and Simulation of Liquids and Solids

Post type: Postdoctoral researcher

Duration: Up to 3 years, starting October 2004

Funding: Funded by EPSRC

Area: Ab-initio calculations of defect energies

Supervisor: Mike Finnis

Application deadline: Contact Mike Finnis

Brief Description of Project

This modelling project is part of a large multi-scale modelling consortium, full details of which can be found here, in parallel with an experimental programme.

This particular project. will involve close collaboration with the various other members of the modelling consortium, especially the Materials Department in Oxford, Sergei Dudarev's group at Culham and Graeme Ackland's group in Edinburgh. We plan to make accurate ab initio calculations of self-interstitial structures and energies in the BCC transition metals and in particular for the Fe-Cr alloy system. Particular attention will be given to the stability of the alternative structures: <111> crowdion or <110> dumbell, and to their migration energies and paths. The data so generated will be used as benchmarks for the generation of simpler models based on tight-binding theory (see Finnis: Interatomic Forces in Condensed Matter, OUP 2003, Ch.7) in collaboration with the other theory groups.

For informal discussion of the project contact Mike Finnis

Selection criteria

Essential requirements

  1. A first class honours degree or equivalent in materials science, or a related physical science subject.
  2. A PhD (by the start date) or equivalent in materials science, or a related physical science subject.
  3. Two or more years of experience in carrying out large scale ab initio calculations for solids in a Unix/Linux environment.
  4. Evidence of high-quality research output, commensurate with years of research experience.
  5. Ability to identify research objectives and complete research tasks within an agreed time-scale.
  6. Ability to be flexible in the tasks to achieve the set objectives.
  7. Good communication skills in English. Ability to write in English at a suitable standard for the preparation of publications.
  8. Self-motivated and able to meet agreed deadlines.
  9. Ability to work effectively in a team, and interact effectively with collaborators.
  10. Willingness and ability to travel and to spend periods at collaborators' laboratories.

Desirable experience

  1. MPI and Fortran programming experience.

Further information

See http://titus.phy.qub.ac.uk for more about the Atomistic Simulation Centre and Queen's University Belfast.

Application procedure