Chang, HK Kim, SG Cheong, B Kim, WM Chung, M Lee, TS Lee, JK 2024-01-21T16:16:35Z 2024-01-21T16:16:35Z 2021-09-04 1998-12 1225-9438 https://pubs.kist.re.kr/handle/201004/142695 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 10(12) K/s for a one-component, unary system. For lower quenching rates, the amorphous phase transforms to a crystalline phase with 0.3 similar to 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. English KOREAN INST METALS MATERIALS GLASS-TRANSITION SIMULATIONS NUCLEATION A molecular dynamics study on the liquid-amorphous-crystalline transition in a Lennard-Jonesian FCC system: I. Bulk crystal Article 10.1007/BF03025988 1 METALS AND MATERIALS-KOREA, v.4, no.6, pp.1143 - 1151 METALS AND MATERIALS-KOREA 4 6 1143 1151 scie scopus 000077557500007 2-s2.0-0038934587 Materials Science, Multidisciplinary Metallurgy & Metallurgical Engineering Materials Science Metallurgy & Metallurgical Engineering Article GLASS-TRANSITION SIMULATIONS NUCLEATION molecular dynamics melting quenching amorphization crystallization