DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Lee, Hyuch-Mo | - |
dc.contributor.advisor | 이혁모 | - |
dc.contributor.author | Kim, Tae-Yeon | - |
dc.contributor.author | 김태연 | - |
dc.date.accessioned | 2011-12-15T01:46:19Z | - |
dc.date.available | 2011-12-15T01:46:19Z | - |
dc.date.issued | 2004 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=238316&flag=dissertation | - |
dc.identifier.uri | http://hdl.handle.net/10203/51602 | - |
dc.description | 학위논문(석사) - 한국과학기술원 : 신소재공학과, 2004.2, [ iii, 63 p. ] | - |
dc.description.abstract | Molecular dynamics (MD) simulations based on Tersoff potential have been performed to study the mechanical properties of a β-SiC nanowire and CNT/β-SiC nanowire under tension with a constant strain rate. A tension, proportional to the deformation within Hook’s law, eventually led to a breaking of a β-SiC nanowire and CNT/SiC junction. With the diameter and axis direction of a β-SiC nanowire and simulation temperature, we calculated the curve of strain energy vs. strain. In addition, the elastic modulus of the β-SiC nanowire and a CNT/SiC junction was determined from the curve of the strain energy vs. strain. During tensile loading, the elastic modulus of the β-SiC nanowire and a CNT/SiC junction was generally decreasing with temperature and tended to increase with diameter of the nanowire. The axis of Young’s modulus (279 to 770 GPa) of the β-SiC nanowire lay along the <111> direction was considerably higher than that (110 to 200 GPa) of the β-SiC nanowire with the axis in the <001> direction. Our simulation result with the nanowire with axis of the <111> direction was in good agreement with the experimental data which was within the range from 316 to 890 GPa. In the case of a CNT/SiC junction, also we investigated the Young’s modulus. The CNT/[111] β-SiC nanowire (241 to 392.3 GPa) was considerably higher than that (105.2 to 299.6 GPa) of the CNT/[001] β-SiC junction. The [111] Young’s modulus was higher than that of the [001] orientation in a β-SiC nanowire and a CNT/β-SiC nanowire junction. We also observed that the β-SiC nanowire formed one atomic chain consisting of Si-Si bonds near the necking occurrence area; the length of the atomic chain increased with strain and eventually the nanowire fractured. This is because the bond strength of Si-Si is weaker than those of Si-C and C-C. Due to the superior mechanical properties of the CNT, tension properties in the CNT/β-SiC nanowire junction closely depended on that of β-SiC nanowire. | eng |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.subject | 기계적 특성 | - |
dc.subject | Tersoff 포텐셜 | - |
dc.subject | 탄성계수 | - |
dc.subject | MOLECULAR DYNAMICS (MD) SIMULATIONS | - |
dc.subject | TERSOFF POTENTIAL | - |
dc.subject | MECHANICAL PROPERTIES | - |
dc.subject | ELASTIC MODULUS | - |
dc.subject | 분자동역학 전산모사 | - |
dc.title | Nanomechanical behavior of β-SiC nanowire and CNT/β-SiC nanowire junction; molecular dynamics simulations | - |
dc.title.alternative | 분자동역학 전산모사를 이용한 β-SiC nanowire 와 CNT/β-SiC nanowire 접합의 기계적 특성 평가 | - |
dc.type | Thesis(Master) | - |
dc.identifier.CNRN | 238316/325007 | - |
dc.description.department | 한국과학기술원 : 신소재공학과, | - |
dc.identifier.uid | 020023168 | - |
dc.contributor.localauthor | Kim, Tae-Yeon | - |
dc.contributor.localauthor | 김태연 | - |
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