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Atomistic Simulation Group | Atomistic Simulation Group

Atomistic Simulation Group - Department of Materials, Imperial College London.

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Atomistic Simulation Group | Atomistic Simulation Group | abulafia.mt.ic.ac.uk Reviews
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Atomistic Simulation Group - Department of Materials, Imperial College London.
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Atomistic Simulation Group | Atomistic Simulation Group | abulafia.mt.ic.ac.uk Reviews

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Atomistic Simulation Group - Department of Materials, Imperial College London.

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1

PhD Theses | Atomistic Simulation Group

http://abulafia.mt.ic.ac.uk/publications/theses

Michael Cooper: Atomic Scale Simulation of Irradiated Nuclear Fuel. Hassan Tahini: Controlling Dopant Distributions and Structures in Advanced Semiconductors. Thorsten Stechert: Glasses for Energy Applications - Atomic Scale Network Structure and Properties. Simon Middleburgh: Atomistic Scale Simulation of Materials for Future Nuclear Reactors. Eleanor Jay: Atomic Scale Modelling of Phosphate Mineral Phases for Nuclear Waste Form Development. Nicholas Ashley: Defect Properties of Binary Non-Oxide Ceramics.

2

Michael Cooper | Atomistic Simulation Group

http://abulafia.mt.ic.ac.uk/groupmembers/cooper

E-mail: michael.cooper06@imperial.ac.uk. I joined the ASG at Imperial College in November 2011 as a PhD student with funding from EPSRC. The focus of my research is the atomistic scale simulation of UK spent nuclear fuel (SNF) as part of a wider consortium, including experimentalists, investigating its behaviour with regards to geological disposal. Before joining the ASG I have studied the migration of fission products through SiC (a potential generation IV cladding material) using DFT at Cadarache.

3

Preprint of New Paper Now available: "From solid solution to cluster formation of Fe and Cr in α-Zr" | Atomistic Simulation Group

http://abulafia.mt.ic.ac.uk/posts/preprint-of-new-paper-now-available-from-solid-solution-to-cluster-formation-of-fe-and-cr-in-a-zr

Preprint of New Paper Now available: "From solid solution to cluster formation of Fe and Cr in α-Zr". Our latest paper on alloying additions in Zr is now available as a pre-print on arXiv. MR Wenman, B. Gault, M.P. Moody, M.Ivermark, M.J.D. Rushton. M Preuss, L. Edwards and R.W. Grimes. From solid solution to cluster formation of Fe and Cr in α-Zr , arXiv preprint (2015). PDF. Axis while contracting the.

4

Potential Update - Support for tabulation scripts and increased accuracy of reported parameters | Atomistic Simulation Group

http://abulafia.mt.ic.ac.uk/posts/potebsupport-for-tabulation-scripts-and-increased-accuracy-of-reported-parameters

Potential Update - Support for tabulation scripts and increased accuracy of reported parameters. In this update to our actinides potential model. We have made a set of python scripts. Available supporting the use of the model within DL POLY. And to allow users to modify and extend the potentials for their own use in both LAMMPS. Visit the actinides potential page for more information.

5

Prof. Robin Grimes | Atomistic Simulation Group

http://abulafia.mt.ic.ac.uk/groupmembers/robin

E-mail: r.grimes@imperial.ac.uk. Telephone: 44 (0)20 7594 6730. The main focus of my work concerns the application of atomic scale computer simulation to problems associated with the physics and chemistry of industrially significant materials, and, in particular their interaction with defects and molecules. Foreign and Commonwealth Office Chief Scientific Advisor. Specialist Adviser to the House of Lords Science and Technology Select Committee. Director, Centre for Nuclear Engineering. Imperial College A...

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Atomistic Simulation Group | Atomistic Simulation Group

The Atomistic Simulation Group headed by Professor Robin Grimes is based in the Department of Materials at Imperial College London. We use various simulation techniques to predict the atomic scale mechanisms and processes underpinning material properties in order to improve the understanding and design of new materials. The group uses both quantum mechanical and classical pair-potential approaches to study various systems including:. That was used to study the behaviour of mixed actinide oxide systems.

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