Atomistic modelling of diffusion
This thesis describes the dimer method, which is an algorithm that can be used to find state transitions in an atomistic system, and the application of this method to two different atomistic diffusion problems. The dimer method is an algorithm that locates the saddle points of a potential field of a...
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Loughborough University
2006
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.428913 |