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Spreading the load: Parallel Quantum Dynamics Calculations
Dr Anthony JHM Meijer
Department of Chemistry, University of Sheffield
Tea, coffee and cakes in the Turner Museum from 2.30 Hadfield Building
30 Jun 2010 - 15:00
LT22, Hadfield Building
A talk given by Dr Anthony JHM Meijer from the Department of Chemistry, University of Sheffield
Tea, coffee and cakes in the Turner Museum will be available from from 2.30 pm in the Hadfield Building
“VAMPIRE: Advanced modelling of complex magnetic materials”
Richard Evans and Roy Chantrell
Lecture Theatre 22
Refreshments in the Turner Museum from 2.30
The continuing development of advanced magnetic nanomaterials for electronic devices and medical applications necessitates an understanding of magnetism at the atomistic, granular and macroscopic level – a true multi-scale problem. Computer simulation can give added insight to the fundamental physical properties of such nanomaterials and the interplay of effects at different length and timescales. At the nanoscale everything becomes complex – surfaces, crystallographic defects, interface mixing, surface roughness all have a bearing on the macroscopic magnetic properties of a material. Such phenomena can lead to strange spin states, magnetic reversal modes, temperature dependent properties making the physics of the nanoscale somewhat probabilistic. Even simple systems, such as isolated nanoparticles, in reality will show some size and shape variation, leading to a dispersion of the magnetic properties. In order to understand these effects detailed models of individual particles are still needed, but additionally the collective or large scale behaviour needs to be modelled presenting a much more significant problem. Due to the fundamental resolution of atomistic spin models, large scale simulations require a significant amount of computational effort, well beyond the capability of a single desktop computer.
VAMPIRE is a computer code which has been specifically developed to model these larger collective systems while retaining all the complex microscopic detail. In this talk I will outline the wide range of effects which can be simulated with the atomistic model and how they are implemented in VAMPIRE. I will also cover the computational strategies used to enable the code to run on supercomputing clusters and graphics cards. Finally I will present some immediate applications which will provide new insight into the magnetic behaviour of some of the most complex materials known today.
The next MESAS meeting will be at 3.30 Tuesday 30th March.
Presented by Dr Yvette Hancock of York University.
More details to follow…
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We are a group of modellers and simulators based in the Department of Engineering Materials at Sheffield Univeristy. This website gives details of our research, software development and upcoming seminar talks. Please explore!