Abstract
The pressure-volume isotherm for krypton at 300 K is evaluated by the Monte Carlo method using pair and three-body potentials. The pair potentials used are that of Aziz and Slaman and a slightly modified version of their potential which gives better agreement with high-energy scattering data. The three-body potentials considered are the Axilrod-Teller interaction and the first-order three-body exchange interaction as parametrized by Loubeyre. The results are compared with recent measurements at pressures up to 300 kbar and the implications of the comparison are discussed. The best agreement with experiment is found using the Axilrod-Teller interaction as the only many-body interaction, indicating that the three-body exchange interaction is to a large extent canceled by higher many-body interactions, at least in the highly symmetrical environment of the crystal.
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References
J. A. Barker,Mol. Phys. 60:887 (1987).
J. A. Barker,J. Chem. Phys. 86:1509 (1987).
A. D. McLean, B. Liu, and J. A. Barker, to be published.
P. Loubeyre,Phys. Rev. B 37:5432 (1988).
P. Loubeyre,Phys. Rev. Lett. 58:1857 (1987).
R. A. Aziz, inInert Gases, M. L. Klein, ed. (Springer, 1984).
R. A. Aziz and M. J. Slaman,Mol. Phys. 58:679 (1986).
R. A. Aziz and M. J. Slaman,Mol. Phys. 57:825 (1986).
P. K. Rol, cited by R. A. Aziz, inInert Gases, M. L. Klein, ed. (Springer, 1984).
J. A. Barker, inRare Gas Solids, M. L. Klein and J. A. Venables, eds. (Academic Press, New York, 1976), Vol. 1, Chapter 6.
G. C. Maitland, M. Rigby, E. B. Smith, and W. A. Wakeham,Intermolecular Forces, Their Origin and Determination (Oxford University Press, 1981).
J. A. Barker,Mol. Phys. 57:755 (1986).
J. A. Barker,Phys. Rev. Lett. 57:230 (1986),
W. J. Meath and R. A. Aziz,Mol. Phys. 52:225 (1984).
M. Bulski and G. Chalasinski,Theor. Chim. Acta 56:210 (1980).
M. Bulski and G. Chalasinski,Chem. Phys. Lett. 89:450 (1982).
M. Bulski,Chem. Phys. Lett. 78:361 (1981).
R. LeSar,Phys. Rev. B 28:6812 (1983).
A. Polian, J. M. Besson, M. Grimsditch, and W. A. Grosshans, to be published; cited in ref. 4.
J. A. Barker, R. A. Fisher, and R. O. Watts,Mol. Phys. 21:657 (1971).
J. A. Barker and M. L. Klein,Phys. Rev. B 7:4707 (1973).
P. J. Leonard and J. A. Barker,Theor. Chem. Adv. Perspect. 1:117 (1975).
A. Kumar and W. J. Meath,Mol. Phys. 54:823 (1985).
M. S. Anderson and C. A. Swenson,J. Phys. Chem. Solids 36:145 (1975).
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This paper is dedicted to Howard Reiss on the occasion of his 66th birthday.
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Barker, J.A. High-pressure equation of state for solid krypton from interatomic potentials. J Stat Phys 52, 1359–1365 (1988). https://doi.org/10.1007/BF01011653
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DOI: https://doi.org/10.1007/BF01011653