Analytic equation of state for FCC C60 solid based on analytic mean-field potential approach

2006 ◽  
Vol 381 (1-2) ◽  
pp. 34-39 ◽  
Author(s):  
Sun Jiu-xun
Keyword(s):  
Equation Of State ◽  
Mean Field ◽  
Field Potential ◽  
Analytic Equation ◽  
Potential Approach ◽  
Mean Field Potential

Analytic Equation of State and Thermodynamic Properties of Solid FCC C61D2 Based on an Analytic Mean Field Approach

2008 ◽  
Vol 63 (5-6) ◽  
pp. 321-328
Author(s):  
Wei Yang ◽  
Jiu-Xun Sun ◽  
Li-Guo Wang
Keyword(s):  
Equation Of State ◽  
Internal Energy ◽  
Mean Field ◽  
Field Potential ◽  
Analytic Equation ◽  
Analytic Expressions ◽  
Compression Data ◽  
The Difference ◽  
Potential Parameters ◽  
Mean Field Potential

Analytic expressions for the equation of state and internal energy of poly-exponential solids are derived based on the analytic mean field potential (AMFP) method. The formalism is applied to fcc C61D2. Two sets of potential parameters are determined by fitting the experimental compression data of C61D2 up to 1 GPa at 343 and 307 K, respectively. The difference between the two sets of parameters is small. Whereas the difference between the potential of the C61D2 molecules and that of the C60 molecules is fairly prominent, the conclusion is different from that in the literature, and the reason is unclear at present. The thermo-physical properties including the isothermals, thermal expansion, isochoric heat capacity, Helmholtz free energy and internal energy are calculated and analyzed. The theoretical results agree well with the experimental data available for solid C61D2.

Mean-field potential calculations of high-pressure equation of state for BeO

2008 ◽  
Vol 17 (4) ◽  
pp. 1341-1348 ◽  
Author(s):  
Zhang Qi-Li ◽  
Zhang Ping ◽  
Song Hai-Feng ◽  
Liu Hai-Feng
Keyword(s):  
High Pressure ◽  
Equation Of State ◽  
Mean Field ◽  
Field Potential ◽  
Pressure Equation ◽  
Mean Field Potential

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.

ANALYTIC EQUATION OF STATE AND THERMODYNAMIC PROPERTIES FOR FCC C70 SOLID BASED ON THE ANALYTIC MEAN FIELD APPROACH

2008 ◽  
Vol 22 (07) ◽  
pp. 515-525 ◽  
Author(s):  
YANG WEI ◽  
JIU-XUN SUN ◽  
LI-GUO WANG ◽  
RONG-GANG TIAN
Keyword(s):  
Equation Of State ◽  
Internal Energy ◽  
Mean Field ◽  
Field Potential ◽  
Analytic Equation ◽  
Analytic Expressions ◽  
Compression Data ◽  
The Difference ◽  
Potential Parameters ◽  
Good Agreement

The analytic expressions for equation of state and internal energy for the poly-exponential solid have been derived based on the analytic mean-field potential (AMFP) method. The formalism is applied to the fcc C 70 solid. One set of potential parameters are determined through fitting the experimental compression data1 of C 70 up to 1 GPa and at temperature 365 K. The difference between the well depth for C 70 molecules and that for C 60 molecules is fairly small. The thermo-physical properties including the isothermals, thermal expansivity, isochoric heat capacity, Helmholtz free energy and internal energy have been calculated and analyzed. The theoretical results are in good agreement with the experimental data of C 70 solid available. Based on the results of our calculations, we may also predict the behaviors of C 70 at extreme conditions.

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