화학공학소재연구정보센터
학회 한국재료학회
학술대회 2012년 봄 (05/17 ~ 05/18, 무주덕유산리조트)
권호 18권 1호
발표분야 E. 구조 재료(Structural Materials)
제목 Effects of Cooling rate on amorphous structures and thermal properties of Zr50Cu50 metallic glasses
초록 Metallic glasses show some superior properties different from crystalline, but the nature of amorphous structure and structural change during glass transition don’t have been completely understood yet. Molecular dynamics simulation provides intuitive insight into the microstructure and properties at atomistic level. Before probing into the microstructures of metallic glass with molecular dynamics (MD) simulation, it is important to obtain amorphous state first. In the current work, we reproduce the process of manufacturing metallic glass in laboratory including the melting, equilibrating and quenching procedure with molecular dynamics simulations and experiments. The structural evolution at melting point and glass transition temperature are investigated with the different cooling processing. The partial radial distribution function (PRDF) and Voronoi Diagram Analysis are applied as a criterion to judge the final amorphous state obtained at different cooling rates. Furthermore the effects of cooling rate on the formation of amorphous structures are discussed.
저자 문상철1, 박은미1, 이찬호1, 조재혁1, 신호정1, 남호석2, 김기범1
소속 1세종대, 2국민대
키워드 Molecular Dynamics; Voronoi Tessellation; Partial Radial Distribution Function; LAMMPs
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