Abstract

Computer MD calculations for liquid argon have been made at five states over the number density range 0.01312 A -3 to 0.02040 A -3 and the temperature range 93 K to 145 K using the Lennard-Jones (LJ) potential and the Barker-Fisher-Watts (BFW) pair potential with the Axilrod-Teller (AT) three-body interactions; the latter potential being considered to be a more realistic potential for argon. From an essential agreement of various static and dynamic quantities with the BFW-AT results as well as with experimental data, the availability of the LJ potential as an effective potential for liquid argon was clarified. The behaviors of velocity auto-correlation functions at intermediate times for both potential functions, including its long-time behaviors, were also examined extensively.

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