Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method

The main aim of this study is to simulate and investigate the gamma and gamma prime phases structure stability and behaviour of misfit dislocation-precipitate with additional of Ni3Ti (DO24) in Ni-based superalloys using MD at 10 K, 293 K and 1000 K. The Ni3Ti are homogeneously distributed through ?...

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Main Author:	Goh, Kian Heng
Format:	Thesis
Language:	English
Published:	2013
Subjects:	TJ Mechanical engineering and machinery
Online Access:	http://eprints.utm.my/id/eprint/39006/5/GohKianHengMFKM2013.pdf
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id	my-utm-ep.39006
record_format	uketd_dc
spelling	my-utm-ep.390062017-06-22T02:09:22Z Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method 2013-09 Goh, Kian Heng TJ Mechanical engineering and machinery The main aim of this study is to simulate and investigate the gamma and gamma prime phases structure stability and behaviour of misfit dislocation-precipitate with additional of Ni3Ti (DO24) in Ni-based superalloys using MD at 10 K, 293 K and 1000 K. The Ni3Ti are homogeneously distributed through ? phase and the percentages are varied from 0.22%, 0.5%, 0.89% and 2.11%. MD is capable to produce three dimensions modelling based on time evolution of a set of interacting atoms and integrating their equation of motion. The Embedded Atom Method (EAM) is used to calculate phase stability, point defect properties, surface energies and relaxation for Ni-Ti-Al system. The empirical embedding energy function, electron density function and interatomic pair potential function used by this method are obtained. The conclusion of this simulation shows that distribution of Ni3Ti is vital in determining the Ni-Ni3Al phase stability. The data of temperature, total energy, stress in x-axis, stress in y-axis, stress in z-axis and volume are plotted and snapshot of each percentage of Ni3Ti added is taken at different step. At higher temperature (1000 K), it is more favourable and stable condition for higher Ti concentration (9L 2.11%) because of lower energy level and more stable temperature condition. 2013-09 Thesis http://eprints.utm.my/id/eprint/39006/ http://eprints.utm.my/id/eprint/39006/5/GohKianHengMFKM2013.pdf application/pdf en public masters Universiti Teknologi Malaysia, Faculty of Mechanical Engineering Faculty of Mechanical Engineering
institution	Universiti Teknologi Malaysia
collection	UTM Institutional Repository
language	English
topic	TJ Mechanical engineering and machinery
spellingShingle	TJ Mechanical engineering and machinery Goh, Kian Heng Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method
description	The main aim of this study is to simulate and investigate the gamma and gamma prime phases structure stability and behaviour of misfit dislocation-precipitate with additional of Ni3Ti (DO24) in Ni-based superalloys using MD at 10 K, 293 K and 1000 K. The Ni3Ti are homogeneously distributed through ? phase and the percentages are varied from 0.22%, 0.5%, 0.89% and 2.11%. MD is capable to produce three dimensions modelling based on time evolution of a set of interacting atoms and integrating their equation of motion. The Embedded Atom Method (EAM) is used to calculate phase stability, point defect properties, surface energies and relaxation for Ni-Ti-Al system. The empirical embedding energy function, electron density function and interatomic pair potential function used by this method are obtained. The conclusion of this simulation shows that distribution of Ni3Ti is vital in determining the Ni-Ni3Al phase stability. The data of temperature, total energy, stress in x-axis, stress in y-axis, stress in z-axis and volume are plotted and snapshot of each percentage of Ni3Ti added is taken at different step. At higher temperature (1000 K), it is more favourable and stable condition for higher Ti concentration (9L 2.11%) because of lower energy level and more stable temperature condition.
format	Thesis
qualification_level	Master's degree
author	Goh, Kian Heng
author_facet	Goh, Kian Heng
author_sort	Goh, Kian Heng
title	Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method
title_short	Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method
title_full	Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method
title_fullStr	Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method
title_full_unstemmed	Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method
title_sort	effects of ni3ti (do24) precipitates and composition on ni-based superalloys using molecular dynamics method
granting_institution	Universiti Teknologi Malaysia, Faculty of Mechanical Engineering
granting_department	Faculty of Mechanical Engineering
publishDate	2013
url	http://eprints.utm.my/id/eprint/39006/5/GohKianHengMFKM2013.pdf
_version_	1747816537763348480

Effects of Ni3Ti (DO24) Precipitates and composition on Ni-based superalloys using molecular dynamics method

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