한국재료학회지 (Korean Journal of Materials Research)

  • 제10권8호
  • /
  • Pages.581-588
  • /
  • 2000
  • /
  • 1225-0562(pISSN)
  • /
  • 2287-7258(eISSN)
한국재료학회 (Materials Research Society of Korea)
권호 표지

자유표면을 가진 이원계의 상전이에 대한 분자동역학 연구

A Molecular Dynamics Study in a Binary System with Free Surface

  • 한혜원 (성균관대학교 재료공학과) ;
  • 장현구 (성균관대학교 재료공학과)
  • Han, Hye-Won (Department of Materials Engineering, Sungkyunkwan University) ;
  • Jang, Hyeon-Gu (Department. of Materials Engineering, Sungkyunkwan University)
  • 발행 : 2000.08.01
PDF 다운로드
⟨ 이전 논문 다음 논문 ⟩

초록

Free surface를 가진 레나트-존스 이원계의 가열, 냉각에 따른 상전이를 molecular dynamics simulation을 이용하여 연구하였다. 용매-용질우너자간의 size misfit과 용질우너자의 농도변화에 따른 상전이 거동을 살펴본 결과 size misfit과 용질원자의 농도가 증가함에 따라 가열시 용융시 낮은 온도에서 쉽게 발생하였고, 냉각시 임계냉각속도가 감소하여 결정화는 어려워졌다.

Phase transition of the Lennard-Jonesian binary system with a free surface was studied by employing molecular dynamics simulation. The main focus of this study was to investigate the effect of size misfit and solute concentration on phase transition during heating and quenching. For a binary system with a free surface, the melting point and the critical quenching rate decrease as size misfit and solute concentration increase.

키워드

참고문헌

  1. Physical Review B v.32 no.8 T.A. Wever;F.H. Stillinger
  2. J. Appl. Phys. v.48 no.1 D.S. Boundreaux;J.M. Gregor
  3. Fluid Phase Equilibria v.16 C. Hoheisel;F. Kohler
  4. J. Chem. Phys. v.70 no.12 K. Nakanishi;K. Toukubo
  5. J. Chem. Phys. v.87 no.8 M.S. Watanabe;K.Tsumuraya
  6. Chemistry and physics of Nanostructures and Related Non-equilibrium Materials J.K. Lee;B. Cheong;W.M. Kim;S.G. Kim;E. Ma(et al.)(ed.)
  7. J. Chem. Phys. v.72 H.C. Andersen
  8. Phys. Rev. Lett. v.45 M. Parrinello;A. Rahman
  9. Metals and Materials v.4 no.6 H.K. Chang;S.G. Kim;B. Cheong;W.M. Kim;M. Chung;T.S. Lee;J.K. Lee
  10. 한국재료학회지 v.8 no.8 장현구;이종길;김순광
  11. Phys. Rev. v.159 L. Verlet
  12. Phys. Rev. Lett. v.41 H.R. Wendt;F.F. Abraham
  13. J. Non-Crystalline Solids v.117/118 S.K. Lai;M.S. Lin
  14. Chem. Phys. Lett. v.107 A.D.J. Haymet
  15. Phase Transitions in Surface Films 2 Surface induced melting of solids J.F. van der Veen
  16. J. Phys. C:Solid State Phys. v.20 J.L. Barrat;M. Baus;J.P. Hansen
  17. Solid State Physics v.45 F. Yonezawa
  18. Phys. Rev. B v.35 no.5 S.H. Liou;C.L. Chien