서지주요정보
Nanomechanical behavior of β-SiC nanowire and CNT/β-SiC nanowire junction; molecular dynamics simulations = 분자동역학 전산모사를 이용한 β-SiC nanowire 와 CNT/β-SiC nanowire 접합의 기계적 특성 평가
서명 / 저자 Nanomechanical behavior of β-SiC nanowire and CNT/β-SiC nanowire junction; molecular dynamics simulations = 분자동역학 전산모사를 이용한 β-SiC nanowire 와 CNT/β-SiC nanowire 접합의 기계적 특성 평가 / Tae-Yeon Kim.
저자명 Kim, Tae-Yeon ; 김태연
발행사항 [대전 : 한국과학기술원, 2004].
Online Access 원문보기 원문인쇄

소장정보

등록번호

8015069

소장위치/청구기호

학술문화관(문화관) 보존서고

MAME 04009

SMS전송

도서상태

이용가능

대출가능

반납예정일

초록정보

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.

서지기타정보

서지기타정보
청구기호 {MAME 04009
형태사항 iii, 63 p. : 삽도 ; 26 cm
언어 영어
일반주기 저자명의 한글표기 : 김태연
지도교수의 영문표기 : Hyuch-Mo Lee
지도교수의 한글표기 : 이혁모
학과명칭변경 : 재료공학과가 신소재공학과로 변경
학위논문 학위논문(석사) - 한국과학기술원 : 신소재공학과,
서지주기 Reference : p. 55-59
주제 MOLECULAR DYNAMICS (MD) SIMULATIONS
TERSOFF POTENTIAL
MECHANICAL PROPERTIES
ELASTIC MODULUS
분자동역학 전산모사
Tersoff 포텐셜
기계적 특성
탄성계수
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