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Mechanical and thermal properties of carbon and boron nitride nanotubes for hydrogen storage application: A molecular dynamics study

thesis
posted on 03.01.2020, 05:48 by JACOB FEBRYADI NITHANEL DETHAN
The production and storage of the ultimate clean fuel hydrogen has received tremendous interest recently. Among the suggested hydrogen storage media for on-board applications are carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs). The present research investigated the mechanical and thermal properties of hydrogen encapsulated CNTs, BNNTs, and their hybrid structures using molecular dynamics simulations in conjunction with advanced interatomic potentials. The results suggest distinctly different bonding interactions of hydrogen with carbon, boron, and nitrogen atoms in the host that may, depending on the nanotube composition, adversely impact the mechanical robustness and thermal conductivity with increasing amounts of entrapped hydrogen.

History

Principal supervisor

Varghese Swamy

Year of Award

2020

Department, School or Centre

School of Engineering (Monash University Malaysia)

Course

Doctor of Philosophy

Degree Type

DOCTORATE

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