A molecular dynamics study on the liquid-amorphous-crystalline transition in a Lennard-Jonesian FCC system: I. Bulk crystal
Document Type
Article
Publication Date
12-1998
Department
Department of Materials Science and Engineering
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 × 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.
Publication Title
Metals and Materials International
Recommended Citation
Chang, H.,
Kim, S.,
Cheong, B.,
Kim, W.,
Chung, M.,
Lee, T.,
&
Lee, J.
(1998).
A molecular dynamics study on the liquid-amorphous-crystalline transition in a Lennard-Jonesian FCC system: I. Bulk crystal.
Metals and Materials International,
4(6), 1143-1151.
http://doi.org/10.1007/BF03025988
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/4549