Thermodynamic properties of lead at high temperatures and high pressures—mean-field potential approach

✍ Scribed by N.K. Bhatt; A.R. Jani; P.R. Vyas; V.B. Gohel

• Publisher: Elsevier Science
• Year: 2005
• Tongue: English
• Weight: 266 KB
• Volume: 357
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/j.physb.2004.11.074

✦ Synopsis

In the present paper, we report theoretical calculations for the thermodynamic properties of lead (Pb) at high temperatures and pressures. We use the mean-field potential (MFP) model proposed recently by Wang and Li (Phys. Rev. B 62 (2000) 196) for evaluating the vibrational contribution of the lattice ion to the total free energy. The MFP seen by the lattice ion is constructed, for the first time, in terms of the total energy-volume relation using the local pseudopotential due to Fiolhais et al. (Phys. Rev. B 51 (1995) 14 001). We have calculated static compression, shockwave compression, thermal expansion (b P ), isothermal and adiabatic bulk moduli (B T and B S ), internal energy, specific heats (C V and C P ), thermodynamic Gru¨neisen parameter (g th ), anharmonic contribution to the specific heat and temperature along shock Hugoniot. The results are satisfactorily comparable with those generated through firstprinciples methods, other theoretical methods and with experiments. We demonstrate that in comparison with other theoretical models, the present model has the advantages of computational simplicity and physical transparency.