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Liquid Crystals and their Application
Russian Journal Zhidkie kristally i ikh prakticheskoe ispol'zovanie Жидкие кристаллы и их практическое использование |
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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2013, 4, 96—102. |
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Ab-Initio Modeling for Free Void Evolution in Lyotropic Aggregates, Defined by the Reactions of Low-Energy Positrons
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L. V. El'nikova
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Author affiliations
SSC RF A.I. Alikhanovs Institute for Theoretical and Experimental Physics,
B. Cheremushkinskaya str. 25, 117218 Moscow, Russia.
E-mail: elnikova@itep.ru
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Abstract
An ab-initio modeling approach for calculations of the functions of energy and polarization on the example of water, taking into account the geometric parameters of nanoscale voids in the reactions of positron annihilation is proposed. The applicability of this method in the analysis of the positron and positronium reactions in micellar aggregates is discussed.
Keywords: polar liquids, positron annihilation, first-principles calculations, micelles
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