DOI: 10.1063/1.447223. Inherent pair correlation in simple liquids

Inherent pair correlation in simple liquids

10.1063/1.447223

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

This paper is dedicated to the proposition that liquids possess an inherent packing structure which is determined by their collection of potential energy minima. To reveal the inherent structure in a given thermodynamic state, it is necessary to subject the dynamical system to steepest-descent ‘‘quenches’’ that remove thermal motion and distortion and leave the system in the nearest mechanically stable arrangement. Such a program has been carried out via molecular dynamics simulation on an argon-like system containing 108 atoms. Two thermodynamic states at the same reduced density (ρ*=1.0) were considered, one just above the melting temperature T*m and one at approximately 3.5 T*m . Although the pair correlation functions g(r) in these thermodynamic states differed considerably, those produced by the corresponding sets of quenches gq(r) were virtually identical. The implied inherent structure common to both states appears to be best described in terms of highly defective face-centered-cubic crystalline configurations.

Bibliography

Stillinger, F. H., & Weber, T. A. (1984). Inherent pair correlation in simple liquids. The Journal of Chemical Physics, 80(9), 4434â4437.

Authors 2

Frank H. Stillinger (first)
Thomas A. Weber (additional)

References 13 Referenced 138

{'key': '2024021000391147800_r1', 'first-page': '159', 'volume': '3A', 'year': '1981', 'journal-title': 'Kinam'} / Kinam (1981)
10.1103/PhysRevA.25.978 / Phys. Rev. A (1982)
10.1021/j100238a027 / J. Phys. Chem. (1983)
10.1063/1.446468 / J. Chem. Phys. (1984)
10.1103/PhysRevA.28.2408 / Phys. Rev. A (1983)
10.1063/1.447072 / J. Chem. Phys. (1984)
{'key': '2024021000391147800_r7'}
10.1063/1.432380 / J. Chem. Phys. (1976)
10.1063/1.1658310 / J. Appl. Phys. (1970)
10.1063/1.1659198 / J. Appl. Phys. (1970)
10.1103/PhysRevLett.41.1244 / Phys. Rev. Lett. (1978)
10.1063/1.438857 / J. Chem. Phys. (1980)
10.1063/1.446338 / J. Chem. Phys. (1983)

Dates

Type	When
Created	22 years, 6 months ago (Feb. 28, 2003, 12:18 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 8:59 p.m.)
Indexed	3 weeks, 1 day ago (Aug. 7, 2025, 4:52 a.m.)
Issued	41 years, 3 months ago (May 1, 1984)
Published	41 years, 3 months ago (May 1, 1984)
Published Print	41 years, 3 months ago (May 1, 1984)

Funders 0

None

BibTeX

@article{Stillinger_1984, title={Inherent pair correlation in simple liquids}, volume={80}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.447223}, DOI={10.1063/1.447223}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Stillinger, Frank H. and Weber, Thomas A.}, year={1984}, month=may, pages={4434–4437} }

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