DOI: 10.1063/1.473661. A calculation of the entropy and free energy differences between the α and β phases of solid nitrogen

A calculation of the entropy and free energy differences between the α and β phases of solid nitrogen

10.1063/1.473661

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The transition between fcc and hcp solid phases of N2 is examined by calculating their Helmholtz free energies using the Monte Carlo method. This shows that the transition occurs at about 41 K, with an entropy change very close to the experimental value. No plastic phase intermediate between the α and β structures is indicated. However, within a few degrees of the transition, orientational exchange of the molecules from one body diagonal to another commence. Another precursor to the transition are considerably increased orientational fluctuations.

Bibliography

Kuchta, B., Rohlender, K., Swanson, D., & Etters, R. D. (1997). A calculation of the entropy and free energy differences between the Î± and Î² phases of solid nitrogen. The Journal of Chemical Physics, 106(16), 6771â6773.

Authors 4

Bogdan Kuchta (first)
Krzysztof Rohlender (additional)
David Swanson (additional)
Richard D. Etters (additional)

References 13 Referenced 12

10.1103/PhysRevB.39.2522 / Phys. Rev. B (1989)
10.1103/PhysRevA.12.282 / Phys. Rev. A (1975)
10.1063/1.469208 / J. Chem. Phys. (1995)
10.1016/0370-1573(76)90032-6 / Phys. Reports (1976)
{'key': '2024020612171271900_r5'}
{'key': '2024020612171271900_r6'}
10.1103/PhysRevB.45.5072 / Phys. Rev. B (1992)
{'key': '2024020612171271900_r8', 'volume': '14691', 'year': '1993', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B (1993)
{'key': '2024020612171271900_r9'}
10.1063/1.439067 / J. Chem. Phys. (1980)
10.1103/PhysRevB.33.8615 / Phys. Rev. B (1986)
10.1063/1.458521 / J. Chem. Phys. (1990)
10.1103/PhysRevLett.70.2908 / Phys. Rev. Lett. (1993)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:15 a.m.)
Deposited	1 year, 6 months ago (Feb. 6, 2024, 7:55 a.m.)
Indexed	2 months ago (July 1, 2025, 8:47 a.m.)
Issued	28 years, 4 months ago (April 22, 1997)
Published	28 years, 4 months ago (April 22, 1997)
Published Print	28 years, 4 months ago (April 22, 1997)

Funders 0

None

BibTeX

@article{Kuchta_1997, title={A calculation of the entropy and free energy differences between the α and β phases of solid nitrogen}, volume={106}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.473661}, DOI={10.1063/1.473661}, number={16}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kuchta, Bogdan and Rohlender, Krzysztof and Swanson, David and Etters, Richard D.}, year={1997}, month=apr, pages={6771–6773} }

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