Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 510563
Title Anomalous dynamics of interstitial dopants in soft crystals
Author(s) Tauber, Justin; Higler, Ruben; Sprakel, Joris
Source Proceedings of the National Academy of Sciences of the United States of America 113 (2016)48. - ISSN 0027-8424 - p. 13660 - 13665.
DOI http://dx.doi.org/10.1073/pnas.1609595113
Department(s) Physical Chemistry and Soft Matter
VLAG
Publication type Refereed Article in a scientific journal
Publication year 2016
Keyword(s) Anomalous dynamics - Crystals - Doping
Abstract

The dynamics of interstitial dopants govern the properties of a wide variety of doped crystalline materials. To describe the hopping dynamics of such interstitial impurities, classical approaches often assume that dopant particles do not interact and travel through a static potential energy landscape. Here we show, using computer simulations, how these assumptions and the resulting predictions from classical Eyring-type theories break down in entropically stabilized body-centered cubic (BCC) crystals due to the thermal excitations of the crystalline matrix. Deviations are particularly severe close to melting where the lattice becomes weak and dopant dynamics exhibit strongly localized and heterogeneous dynamics. We attribute these anomalies to the failure of both assumptions underlying the classical description: (i) The instantaneous potential field experienced by dopants becomes largely disordered due to thermal fluctuations and (ii) elastic interactions cause strong dopant-dopant interactions even at low doping fractions. These results illustrate how describing nonclassical dopant dynamics requires taking the effective disordered potential energy landscape of strongly excited crystals and dopant-dopant interactions into account.

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