Abstract
Constant-pressure molecular dynamics simulations are carried out to study the liquid-amorphous-crystalline transition behavior in a model system composed of 500 Lennard-Jones particles under three-dimensional periodic boundary conditions. The critical quenching rate (CQR) for amorphization, i.e., the minimum rate above which no crystallization occurs on quenching, is found to be about 5.52 x 1012 K/s for a one-component, unary system. For lower quenching rates, the amorphous phase transforms to a crystalline phase with 0.3~0.5 of the melting point as the transition temperature. A binary system with a misfit in atomic size shows a smaller CQR, while a system with a higher bond strength for solute atoms requires a greater CQR. A crystallization behavior of an amorphous phase on reheating is also studied. Its crystallization temperature depends on the history: the higher the quenching rate for amorphization, the higher the crystallization temperature.
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References
K. A. Rubin,MRS Symp. Proc. 230, 239 (1992).
N. Yamada, E. Ohno, K. Nishiuchi and N. Akahira,J. Appl. Phys. 69, 2849 (1991).
J. K. Lee, B. Cheong, W. M Kim and S. G. Kim, inChemistry and Physics of Nanostructures and Related Non-equilibrium Materials (eds., E. Ma, B. Fultz, P. Nash, J. Morral and R. Shull), p. 105, TMS, Warrendale, PA (1997).
H. C. Andersen,J. Chem. Phys. 72, 2384 (1980).
M. Parrinello and A. Rahman,Phys. Rev. Lett. 45, 1196 (1980).
M. P. Allen and D. J. Tildesley,Computer Simulation of Liquids, p. 71, Oxford University Press, New York, NY (1987).
F. Yonezawa,Solid State Physics 45, 179 (1991).
M. J. Mandell, J. P. McTague and A. Rahman,J. Chem. Phys. 64, 3699 (1976).
J. K Lee, J. A Barker and F. F. Abraham,J. Chem. Phys. 58, 3166 (1973).
H. R. Wendt and F. F. Abraham,Phys. Rev. Lett. 41, 1244 (1978).
S. K. Lai and M. S. Lin,J. Non-Crystalline Solids 1171 118, 907 (1990).
H. J. Raveche, R. D. Mountain and W. D. Streett,.J. Chem. Phys. 61, 1970 (1974).
G. D. Scott and D. L. Mader,Nature 201, 382 (1964).
R. D. Mountain and P. K. Basu,J. Chem. Phys. 78, 7318 (1983).
A. D. J. Haymet,Chem. Phys. Lett. 107, 77 (1984).
J. Hafner,J. Phys. F: Met. Phys. 12, L205 (1982).
Theory of Alloy Phase Formation (ed., L. H. Bennet), p. 1, TMS, Warrendale, PA (1980).
S. Nose and F. Yonezawa,J. Chem. Phys. 84, 1803 (1986).
M. Shimono and H. Onodera, inModelling and Simulation for Materials Design (eds., S. Nishijima and H. Onodera), p. 215, NRIM, Tsukuba (1996).
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Chang, H.K., Kim, S.G., Cheong, B. et al. A molecular dynamics study on the liquid-amorphous-crystalline transition in a Lennard-Jonesian FCC system: I. bulk crystal. Metals and Materials 4, 1143–1151 (1998). https://doi.org/10.1007/BF03025988
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DOI: https://doi.org/10.1007/BF03025988