Research Article

Potential Functions and Thermodynamic Properties of UC, UN, and UH

Table 3

Entropy and heat capacity of UN.

Temp. (K)DFT-PBE1Morse
CP (J/mol/K)S (J/mol/K)CP (J/mol/K)S (J/mol/K)

298.231.26239.3431.74239.55
400.032.88248.7633.37249.12
500.034.06256.2334.48256.69
600.034.87262.5135.22263.04
700.035.45267.9335.73268.51
800.035.85272.6936.08273.30
900.036.15276.9336.34277.57
1000.036.37280.7536.53281.41
1100.036.54284.2236.68284.89
1200.036.67287.4136.79288.09
1300.036.78290.3536.88291.04
1400.036.86293.0836.95293.77
1500.036.93295.6237.01296.32