Prog. Theor. Phys. Supplement No.69 (1980) pp. 439-450
Molecular Dynamics Study of Velocity Autocorrelation Function in a Model of Expanded Liquid Rubidium
Department of Applied Science, Faculty of Engineering, Tohoku University, Sendai 980
(Received July 31, 1980)
The velocity autocorrelation function ψ(t) of liquid rubidium is computed by the molecular dynamics method for six states of the saturated density above the melting point. The interaction between rubidium ions is calculated using the pseudopotential method with paying attention to the density-dependence of the pseudopotential parameters, and proved useful to describe structures of liquid rubidium in expanded states. The computed self-diffusion constant of rubidium ion is in good agreement with experiments near the melting point, and can be represented by the Tn-law with n = 1.65 over the simulated states. The negative plateau of ψ(t) found near the melting point diminishes quickly as the density decreases, and the positive long-time memory in the memory function M(t) is found only near the melting point. The frequency spectra of ψ(t) and M(t) change also substantially with decreasing density.
DOI : 10.1143/PTPS.69.439
J. R. D. Copley and S. W. Lovesey, Rep. Prog. Phys. 38 (1975), 461[CrossRef].
N. K. Ailawadi, Phys. Rep. 57 (1980), 241.
A. Rahman, Phys. Rev. Lett. 32 (1974), 52[APS];
Phys. Rev. A 9 (1974), 1667[APS].
J. Bosse, W. Gotze and A. Zippelius, Phys. Rev. A 18 (1978), 1214[APS].
- L. Sjögren and A. Sjölander, Ann. of Phys. 110 (1978), 421.
R. D. Mountain, J. Phys. F: Metal Phys. 8 (1978), 1637[IoP STACKS].
M. Tanaka, J. Phys. F: Metal Phys. 10 (1980), 2581[IoP STACKS].
- R. Block, J. B. Suck, W. Freyland, F. Hensel and W. Glaser, Liquid Metals 1976: Inst. Phys. Conf. Ser. No. 30 (1977), p. 126.
R. W. Shaw Jr., J. Phys. C: Solid St. Phys. 2 (1969), 2335[IoP STACKS];
ibid. 3 (1970), 1140[IoP STACKS].
F. S. Ham, Phys. Rev. 128 (1962), 82[APS].
I. G. Dillon, P. A. Nelson and B. S. Swanson, J. Chem. Phys. 44 (1966), 4229[CrossRef].
D. A. Yong and B. J. Alder, Phys. Rev. A 3 (1971), 364[APS].
- Y. Waseda, The Structure of Non-crystalline Materials: Liquids and Amorphous Solids (McGraw-hill, New York), Tables 26, 27.
- R. Kubo, 1965 Tokyo Summer Lectures in Theoretical Physics, ed. R. Kubo (Syokabo, Tokyo and Benjamin, N.Y., 1966), Part I, p. 1;
Rep. Prog. Phys. 29 (1966), 255[CrossRef].
- A. Nordén and A. Lodding, Naturforschung 22a (1967), 215.
- S. J. Larsson, C. Roxbergh and A. Lodding, Physics and Chemistry of Liquids (Gordon and Breach, London, 1972), vol. 3, p. 137.
P. Zandveld, C. D. Andriesse, J. D. Bregman, A. Hasman and J. J. Van Loef, Physica 50 (1970), 511[CrossRef].
J. Naghizadeh and S. A. Rice, J. Chem. Phys. 36 (1962), 2710[CrossRef].
- H. Mori, Prog. Theor. Phys. 33 (1965), 423[PTP]; ibid. 34 (1965), 399[PTP].
D. Levesque and L. Verlet, Phys. Rev. A 2 (1970), 2514[APS].
B. J. Berne, J. P. Boon and S. A. Rice, J. Chem. Phys. 45 (1966), 1086[CrossRef].
Citing Article(s) :
Progress of Theoretical Physics Vol. 68 No. 5 (1982) pp. 1460-1469
Memory Function for the Autoregressed Velocity Autocorrelation Function of a Dense Liquid
Yoshikazu Endo and Homare Endo