화학공학소재연구정보센터
학회 한국고분자학회
학술대회 2014년 가을 (10/06 ~ 10/08, 제주 ICC)
권호 39권 2호
발표분야 대학원생 구두발표 (발표10분)
제목 Prediction of the Thermo-elastic and Glass Transition Properties for Carbon Nanotube Reinforced Epoxy Composites using Molecular Dynamics Simulations
초록 In this study, the thermo-elastic and glass transition properties of carbon nanotube (CNT) reinforced epoxy composites are investigated using molecular dynamics (MD) simulations. The six different unit cells are modeled with respect to volume fraction of CNT. In order to calculate the glass transition temperature and coefficient of thermal expansion (CTE), the heating-up simulations are performed in isobaric condition, and specific volumes at each temperature are obtained. In addition, the elastic stiffness moduli at each temperature are predicted under equivalent external pressure. As a result, the thermo-elastic and glass transition properties are improved by increasing volume fraction of CNT. Not surprisingly, it is also observed that the thermal behavior is clearly differed in glassy and rubbery states.
저자 정하나1, 유재상1, 최회길1, 신의섭2
소속 1한국과학기술(연), 2전북대
키워드 Molecular dynamic simulation; Glass transition temperature; Nanocomposites
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