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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

Observation on the local structural transformation of amorphous zinc oxide during the heating process by molecular dynamics

Tsai, Jen-Yu 15 August 2012 (has links)
In this study, we employ molecular statics to construct the structure of amorphous zinc oxide. First, we find out the first number of higher energy structures in all local stable structures by Basin-Hopping algorithm, which are separated into different ratio of crystalline/amorphous zinc oxide structures, and then we judge the type of zinc oxide structure by radial distribution function. In addition, we use coordination number to analyse the interatomic bond length and bond angle in the structures. Furthermore, we employ molecular dynamics to increase the temperature of amorphous zinc oxide structures, and then use the distribution of coordination number, bond length and bond angle between zinc and oxygen atom to analyse the change of the local structure of amorphous zinc oxide during the heating process.

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