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- W2312882571 abstract "We propose a novel numerical scheme for the simulation of slow transport processes at the atomistic scale. The scheme is based on a model for non-equilibrium statistical thermodynamics recently proposed by the authors, and extends it by formulating a variational integrator, i.e. a discrete functional whose optimality conditions provide all the governing equations of the problem. The method is employed to study surface segregation of AuAg alloys and its convergence is confirmed numerically." @default.
- W2312882571 created "2016-06-24" @default.
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- W2312882571 date "2016-04-07" @default.
- W2312882571 modified "2023-09-30" @default.
- W2312882571 title "A numerical method for the time coarsening of transport processes at the atomistic scale" @default.
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- W2312882571 doi "https://doi.org/10.1088/0965-0393/24/4/045011" @default.
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