Tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties

碩士 === 國立臺灣大學 === 物理學研究所 === 90 === Abstract In this thesis, we start with the mechanical properties of single and multi walls carbon nanotubes, and generalize to amorphous carbon. The theories we use are tight-binding calculations, then simulating the energy of Hamiltonian of...

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Main Authors:	ijenWu, 吳奕箴
Other Authors:	郭光宇
Format:	Others
Language:	en_US
Published:	2002
Online Access:	http://ndltd.ncl.edu.tw/handle/75712832094030302270

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spelling	ndltd-TW-090NTU001980612017-02-24T04:14:01Z http://ndltd.ncl.edu.tw/handle/75712832094030302270 Tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties 碳奈米柱的結構和機械性質之分子動力學緊束法研究 ijenWu 吳奕箴碩士國立臺灣大學物理學研究所 90 Abstract In this thesis, we start with the mechanical properties of single and multi walls carbon nanotubes, and generalize to amorphous carbon. The theories we use are tight-binding calculations, then simulating the energy of Hamiltonian of whole system by computers. Again, using energy to find Young’s modulus, and compare with other data. On the other hand, we add Van der waals’ effects to our programs of the molecular dynamics, and observe the change of the energy. Finally, generalizing to amorphous carbon, showing pictures, which are before and after simulation, and explain it with model qualitatively. 郭光宇 2002 學位論文 ; thesis 60 en_US
collection	NDLTD
language	en_US
format	Others
sources	NDLTD
description	碩士 === 國立臺灣大學 === 物理學研究所 === 90 === Abstract In this thesis, we start with the mechanical properties of single and multi walls carbon nanotubes, and generalize to amorphous carbon. The theories we use are tight-binding calculations, then simulating the energy of Hamiltonian of whole system by computers. Again, using energy to find Young’s modulus, and compare with other data. On the other hand, we add Van der waals’ effects to our programs of the molecular dynamics, and observe the change of the energy. Finally, generalizing to amorphous carbon, showing pictures, which are before and after simulation, and explain it with model qualitatively.
author2	郭光宇
author_facet	郭光宇 ijenWu 吳奕箴
author	ijenWu 吳奕箴
spellingShingle	ijenWu 吳奕箴 Tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties
author_sort	ijenWu
title	Tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties
title_short	Tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties
title_full	Tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties
title_fullStr	Tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties
title_full_unstemmed	Tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties
title_sort	tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties
publishDate	2002
url	http://ndltd.ncl.edu.tw/handle/75712832094030302270
work_keys_str_mv	AT ijenwu tightbindingmoleculardynamicsstudiesofcarbonnanorodsstructuralandmechanicalproperties AT wúyìzhēn tightbindingmoleculardynamicsstudiesofcarbonnanorodsstructuralandmechanicalproperties AT ijenwu tànnàimǐzhùdejiégòuhéjīxièxìngzhìzhīfēnzidònglìxuéjǐnshùfǎyánjiū AT wúyìzhēn tànnàimǐzhùdejiégòuhéjīxièxìngzhìzhīfēnzidònglìxuéjǐnshùfǎyánjiū
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Tight binding molecular dynamics studies of carbon nanorods structural and mechanical properties

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