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arxiv: 0704.0623 · v1 · submitted 2007-04-04 · ❄️ cond-mat.soft

Algorithm for anisotropic diffusion in hydrogen-bonded networks

classification ❄️ cond-mat.soft
keywords algorithmdiffusionanisotropicdescribeanalysisapplybondsdata
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In this paper I describe a specialized algorithm for anisotropic diffusion determined by a field of transition rates. The algorithm can be used to describe some interesting forms of diffusion that occur in the study of proton motion in a network of hydrogen bonds. The algorithm produces data that require a nonstandard method of spectral analysis which is also developed here. Finally, I apply the algorithm to a simple specific example.

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