Reduction of shock-wave data with mean-field potential approach

2002 ◽  
Vol 92 (11) ◽  
pp. 6616-6620 ◽  
Author(s):  
Yi Wang ◽  
Rajeev Ahuja ◽  
Börje Johansson
Keyword(s):  
Shock Wave ◽  
Mean Field ◽  
Field Potential ◽  
Potential Approach ◽  
Wave Data ◽  
Mean Field Potential

THERMODYNAMIC PROPERTIES OF 4f- AND 5f-SHELL METALS AT FINITE TEMPERATURES: MEAN-FIELD POTENTIAL APPROACH IN CONJUNCTION WITH LOCAL PSEUDOPOTENTIAL

2005 ◽  
Vol 19 (06) ◽  
pp. 999-1016 ◽  
Author(s):  
N. K. BHATT ◽  
P. R. VYAS ◽  
A. R. JANI ◽  
V. B. GOHEL
Keyword(s):  
Thermodynamic Properties ◽  
Mean Field ◽  
Field Potential ◽  
Static Compression ◽  
Potential Approach ◽  
Specific Heats ◽  
Shock Hugoniot ◽  
Volume Relation ◽  
Experimental Findings ◽  
Mean Field Potential

The thermodynamic properties of 4f- and 5f-shell metals have been studied at high temperatures using mean-field potential approach. The MFP seen by the lattice ion is constructed in terms of the total energy-volume relation using local pseudopotentials due to Pandya et al. [Physica B 307, 138 (2001)]. We have calculated static compression, shock-wave compression, volume thermal expansion, isothermal and adiabatic bulk moduli ( B T and B S ), specific heats ( C V and C P ), thermodynamic Grüneisen parameter (γ th ), anharmonic contribution to the specific heat and temperature along shock Hugoniot for 4f (γ- Ce )- and 5f (fcc-Th) -shell metals. The results are well compared with the other theoretical and experimental findings, which ensure the use of pseudopotentials for studying thermodynamic properties at higher temperatures in case of lanthanides and actinides.

First-principles calculations on MgO: Phonon theory versus mean-field potential approach

2006 ◽  
Vol 100 (2) ◽  
pp. 023533 ◽  
Author(s):  
Y. Wang ◽  
Z.-K. Liu ◽  
L.-Q. Chen ◽  
L. Burakovsky ◽  
R. Ahuja
Keyword(s):  
First Principles ◽  
Mean Field ◽  
Field Potential ◽  
First Principles Calculations ◽  
Potential Approach ◽  
Theory Versus ◽  
Mean Field Potential ◽  
Phonon Theory
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