DOI: 10.1063/1.1682198. Freezing and melting properties of the Lennard-Jones system

Freezing and melting properties of the Lennard-Jones system

10.1063/1.1682198

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Using Monte Carlo simulations, we investigate average molecular arrangements that occur with the fluid-solid transition in a classical Lennard-Jones system. The crystalline order of the solid phase is explicitly shown by the angularly averaged molecular correlation functions which, in the solid, exhibit a behavior not observed in the fluid. The pair and triplet correlation functions delineate the crystalline pattern of the ordered phase out to internuclear separations of many nearest-neighbor distances. A molecular criterion for freezing is reported which claims a proportionality between the values of the pair correlation function in the fluid at the positions of the first and second nearest neighbors. The general behavior of the triplet correlation function in the fluid phase is interpreted. We also compare predictions for melting pressures and the densities of the coexisting fluid and solid phases.

Bibliography

RavechÃ©, H. J., Mountain, R. D., & Streett, W. B. (1974). Freezing and melting properties of the Lennard-Jones system. The Journal of Chemical Physics, 61(5), 1970â1984.

Authors 3

Harold J. Raveché (first)
Raymond D. Mountain (additional)
William B. Streett (additional)

References 27 Referenced 112

10.1063/1.1682197 / J. Chem. Phys. (1974)
{'key': '2024020912172511500_r2'}
{'key': '2024020912172511500_r2a'}
10.1103/PhysRevA.7.1723 / Phys. Rev. A (1973)
10.1143/PTP.47.1087 / Prog. Theoret. Phys. (1972)
10.1063/1.1723737 / J. Chem. Phys. (1942)
{'key': '2024020912172511500_r4a'}
10.1007/BF01647090 / Commun. Math. Phys. (1970)
{'key': '2024020912172511500_r4c'}
{'key': '2024020912172511500_r5', 'first-page': '609', 'volume': '11', 'year': '1910', 'journal-title': 'Phys. Z.'} / Phys. Z. (1910)
10.1103/PhysRev.184.233 / Phys. Rev. (1969)
10.1103/PhysRev.184.151 / Phys. Rev. (1969)
10.1103/PhysRevA.2.221 / Phys. Rev. A (1970)
10.1088/0305-4470/4/6/028 / J. Phys. A: Gen. Phys. (1971)
{'key': '2024020912172511500_r9'}
{'key': '2024020912172511500_r10'}
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Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 4:23 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 8:08 a.m.)
Indexed	1 month, 3 weeks ago (July 2, 2025, 3:47 p.m.)
Issued	50 years, 11 months ago (Sept. 1, 1974)
Published	50 years, 11 months ago (Sept. 1, 1974)
Published Print	50 years, 11 months ago (Sept. 1, 1974)

Funders 0

None

BibTeX

@article{Ravech__1974, title={Freezing and melting properties of the Lennard-Jones system}, volume={61}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1682198}, DOI={10.1063/1.1682198}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Raveché, Harold J. and Mountain, Raymond D. and Streett, William B.}, year={1974}, month=sep, pages={1970–1984} }

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