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Multicanonical Monte Carlo Calculation of the First-order Phase Transition of Lennard-Jones Fluids

Chizuru Muguruma
Yuko Okamoto
Masuhiro Mikami

Puni tekst: engleski, pdf (360 KB) str. 203-209 preuzimanja: 1.155* citiraj
APA 6th Edition
Muguruma, C., Okamoto, Y. i Mikami, M. (2007). Multicanonical Monte Carlo Calculation of the First-order Phase Transition of Lennard-Jones Fluids. Croatica Chemica Acta, 80 (2), 203-209. Preuzeto s https://hrcak.srce.hr/12852
MLA 8th Edition
Muguruma, Chizuru, et al. "Multicanonical Monte Carlo Calculation of the First-order Phase Transition of Lennard-Jones Fluids." Croatica Chemica Acta, vol. 80, br. 2, 2007, str. 203-209. https://hrcak.srce.hr/12852. Citirano 31.10.2020.
Chicago 17th Edition
Muguruma, Chizuru, Yuko Okamoto i Masuhiro Mikami. "Multicanonical Monte Carlo Calculation of the First-order Phase Transition of Lennard-Jones Fluids." Croatica Chemica Acta 80, br. 2 (2007): 203-209. https://hrcak.srce.hr/12852
Harvard
Muguruma, C., Okamoto, Y., i Mikami, M. (2007). 'Multicanonical Monte Carlo Calculation of the First-order Phase Transition of Lennard-Jones Fluids', Croatica Chemica Acta, 80(2), str. 203-209. Preuzeto s: https://hrcak.srce.hr/12852 (Datum pristupa: 31.10.2020.)
Vancouver
Muguruma C, Okamoto Y, Mikami M. Multicanonical Monte Carlo Calculation of the First-order Phase Transition of Lennard-Jones Fluids. Croatica Chemica Acta [Internet]. 2007 [pristupljeno 31.10.2020.];80(2):203-209. Dostupno na: https://hrcak.srce.hr/12852
IEEE
C. Muguruma, Y. Okamoto i M. Mikami, "Multicanonical Monte Carlo Calculation of the First-order Phase Transition of Lennard-Jones Fluids", Croatica Chemica Acta, vol.80, br. 2, str. 203-209, 2007. [Online]. Dostupno na: https://hrcak.srce.hr/12852. [Citirano: 31.10.2020.]

Sažetak
The liquid-solid phase transition was investigated by the multicanonical Monte Carlo method for a bulk Lennard-Jones fluid system that consists of 256 argon particles. The reliability of the multicanonical weight factor we determined was confirmed by the flatness of the histogram obtained by the multicanonical Monte Carlo production run. The first-order phase transition between solid and liquid phase was observed around 130 K from the change in thermodynamic properties as a function of temperature. Besides, the small change between two solid structures was also observed at 60 K from the radial distribution function, from the heat capacity and from conventional canonical Monte Carlo calculation at 60 K. Neither of them is not f. c. c. structure which is known as the most stable.

Ključne riječi
the multicanonical Monte Carlo method; first-order phase transition; liquid-solid phase transition; solid-solid phase transition; a bulk Lennard-Jones fluid system; thermodynamic properties

Hrčak ID: 12852

URI
https://hrcak.srce.hr/12852

Posjeta: 1.509 *