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| DC 欄位 | 值 | 語言 |
|---|---|---|
| dc.contributor.advisor | 楊照彥 | |
| dc.contributor.author | Min-Yen Wu | en |
| dc.contributor.author | 吳明彥 | zh_TW |
| dc.date.accessioned | 2021-06-13T05:47:23Z | - |
| dc.date.available | 2008-07-24 | |
| dc.date.copyright | 2006-07-24 | |
| dc.date.issued | 2006 | |
| dc.date.submitted | 2006-07-10 | |
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| dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/33849 | - |
| dc.description.abstract | 奈米碳管為二十一世紀的新興材料，逐漸被人們利用於各種高科技或是民生用品之中，所以對奈米碳管的機械性質的了解對奈米碳管的應用有十分大的幫助。本論文利用分子動力學模擬來計算單壁奈米碳管的機械性質與力學行為，採用Tersoff 勢能來表示碳管內碳原子的交互作用，於固定粒子數、固定體積及溫度的情況下開始模擬，模擬單壁奈米碳管拉伸、壓縮及扭轉的行為並利用其能量與應變的關係求得所要之楊氏模數與剪力模數。本文內有兩種方式比較碳管的機械性質，一固定直徑，改變碳管半徑，另一種為改變碳管長度，固定半徑的方式下去模擬並計算其機械性質，比較其結果。而單壁奈米碳管所求的之楊氏模數為0.613 Tpa，而剪力模數為0.396 Tpa，而透過幾何形狀的改變，楊氏模數並無一定的趨勢，而剪力模數會隨著碳管半徑增加而變大，碳管長度差增加而減小。 | zh_TW |
| dc.description.abstract | Carbon nanotube is the newest material in twenty-one century and will be widely used in high tech products and civil things. As a result, understanding the mechanical properties of the single-walled carbon nanotube (SWNT) is very important in application of the carbon nanotube.So in this paper, we use molecular dynamics method to calculate the mechanical properties of the tube and select the Tersoff potential to represent the force between carbons. Then start the simulation of tension, compression and torsion of the tube with fixed number of carbons, volume
and temperature. Using its relationship between energy and strain to calculate its Young’s modulus and Shear modulus. In this, there are two ways to compare its mechanical properties. One is to fix the radius of the tube and change its length. The other is fix the length of the tube and change its radius. Comparing the result,we find the Young’s modulus of SWNT is 0.613 Tpa and the shear modulus is 0.396 Tpa. And it seems that the Young’s modulus have no rule or trend. Shear modulus will be bigger with the increasing of radius and smaller with the decreasing of the length. | en |
| dc.description.provenance | Made available in DSpace on 2021-06-13T05:47:23Z (GMT). No. of bitstreams: 1 ntu-95-R93543054-1.pdf: 1204158 bytes, checksum: d2f0cc00bf63fd0593931a332f30dc50 (MD5) Previous issue date: 2006 | en |
| dc.description.tableofcontents | 目 錄
摘 要………………………………………………………………………… α 誌 謝………………………………………………………………………… β 目 錄………………………………………………………………………… γ 第 一 章 概 論 1.1 研究動機………………………………………………………… 1 1.2 文獻回顧………………………………………………………… 2 1.3 單壁奈米碳管的結構…………………………………………… 3 第 二 章 分 子 動 力 學 模 擬 法 2.1 分子動力學理論簡介……………………………………………… 7 2.2 分子間位勢能的選擇……………………………………………… 9 2.3 積分方法…………………………………………………………… 10 2.4 最小映射法則……………………………………………………… 12 2.5 交互作用計算……………………………………………………… 14 2.6 無因次參數………………………………………………………… 17 2.7 溫度調節…………………………………………………………… 17 2.8 物理模型…………………………………………………………… 18 2.9 應變表示式 ………………………………………………………… 20 2.10 程式模擬流程圖…………………………………………………… 21 第 三 章 勢 能 函 數 3.1 特索夫勢能的型式………………………………………………… 22 3.2 特索夫勢能的微分型式…………………………………………… 24 第 四 章 模 擬 結 果 分 析 4.1 機械性質之計算 4.1.1 楊氏模數的計算………………………………………… 29 4.1.2 剪力模數之計算………………………………………… 30 4.2 模擬條件的設定…………………………………………………… 31 4.3 (5.5)長徑比為5.08碳管的計算結果…………………………… 32 4.4 不同管長碳管之楊氏模數與剪力模數計算結果………………… 38 4.5 不同半徑碳管之楊氏模數與剪力模數計算結果………………… 40 4.6 不同長徑比碳管之楊氏模數與剪力模數計算結果比較………… 42 第 五 章 結論與展望 5.1 結論………………………………………………………………… 43 5.2 未來展望…………………………………………………………… 44 附錄 ……………………………………………………………………………45 參考文獻…………………………………………………………………………72 | |
| dc.language.iso | zh-TW | |
| dc.subject | 單壁奈米碳管 | zh_TW |
| dc.subject | 分子動力模擬 | zh_TW |
| dc.subject | Single-walled Carbon nanotube | en |
| dc.subject | Molecualr simulation | en |
| dc.title | 單壁奈米碳管機械性質之分子動力學模擬 | zh_TW |
| dc.title | Molecular dynamics simulation of mechanical properties of single-walled carbon nanotube | en |
| dc.type | Thesis | |
| dc.date.schoolyear | 94-2 | |
| dc.description.degree | 碩士 | |
| dc.contributor.oralexamcommittee | 張家歐,潘國隆,黃俊誠 | |
| dc.subject.keyword | 單壁奈米碳管,分子動力模擬, | zh_TW |
| dc.subject.keyword | Single-walled Carbon nanotube,Molecualr simulation, | en |
| dc.relation.page | 74 | |
| dc.rights.note | 有償授權 | |
| dc.date.accepted | 2006-07-12 | |
| dc.contributor.author-college | 工學院 | zh_TW |
| dc.contributor.author-dept | 應用力學研究所 | zh_TW |
| 顯示於系所單位： | 應用力學研究所 | |
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