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Title Lattice Parameters and Thermal Expansion of Zirconium Thin Films
Authors Dolgusheva, E.B.
Trubitsin, V.Yu.
Keywords Thin films
Size Effect
Phase Transformation
MD Simulation
Type Conference Papers
Date of Issue 2013
URI http://essuir.sumdu.edu.ua/handle/123456789/35222
Publisher Sumy State University
License
Citation Dolgusheva, V.Yu. Lattice Parameters and Thermal Expansion of Zirconium Thin Films [Текст] / E.B. Dolgusheva, V.Y. Trubitsin // Nanomaterials: Applications & Properties (NAP-2013) : 2-nd International conference, Alushta, the Crimea, September 17-22, 2012 / Edited by: A. Pogrebnjak. - Sumy : Sumy State University, 2013. - V.2, No1. - 01NTF33
Abstract Using the molecular-dynamics method with many-body potential of interatomic interaction we have studied the polymorphism of zirconium thin films. The conditions for stability of metastable bcc(001) and fcc Zr films are determined at constant zero pressure. The dependences of the lattice parameters and thermal expansion coefficients on the temperature and thickness of bcc, fcc and hcp Zr films are calculated. The peculiarities of their variation near structural transformations are discussed. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35222
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