@inproceedings{3f927c67dc8543de96ad43a1b53f04e4,
title = "Development of density-functional tight-binding repulsive potentials for bulk zirconia using particle swarm optimization algorithm",
abstract = "We report the preliminary results of the development of density-functional tight-binding (DFTB) repulsive potentials for the Zr - O element pair. The repulsive potentials were created using a computer code based on the particle swarm optimization. The potentials were tested on a set of systems for high temperature phases of bulk ZrO2, namely cubic and tetragonal. The potential sets were primarily developed for simulation of zirconia phase transitions at elevated temperatures.",
author = "Hutama, {Aulia S.} and Yoshifumi Nishimura and Chou, {Chien Pin} and Stephan Irle",
note = "Publisher Copyright: {\textcopyright} 2017 Author(s).; International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017 ; Conference date: 21-04-2017 Through 25-04-2017",
year = "2017",
month = nov,
day = "28",
doi = "10.1063/1.5012294",
language = "English",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics Inc.",
editor = "Simos, {Theodore E.} and Simos, {Theodore E.} and Simos, {Theodore E.} and Theodore Monovasilis and Zacharoula Kalogiratou",
booktitle = "Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017",
}