Combining density functional theory (DFT) and pair distribution function (PDF) analysis to solve the structure of metastable materials: the case of metakaolin

Understanding the atomic structure of complex metastable (including glassy) materials is of great importance in research and industry, however, such materials resist solution by most standard techniques. Here, a novel technique combining thermodynamics and local structure is presented to solve the s...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2010-01, Vol.12 (13), p.3239-3245
Hauptverfasser:	White, Claire E, Provis, John L, Proffen, Thomas, Riley, Daniel P, van Deventer, Jannie S J
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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