The estimation of the heat capacity of NpO2

Molecular Dynamics Studies of Minor Actinide Dioxides

“…19) Our calculated C V and C d moderately agree with literature data. In this figure, the Schottky contribution (C sch ) reported by Serizawa is plotted for comparison.…”

“…AmO 2 NpO 2 [7] Temperature, T (K) MD results, C V +C d +C sch Literature data [18,19,29] MD results, C V +C d Literature data [30] Literature data [31] Temperature, T (K) and AmO 2 , together with literature data 18,19,[29][30][31] evaluated by the MD calculation in the temperature range between 300 and 2,500 K as shown in Fig. 6.…”

“…MD results Literature data [18] Literature data [19] Literature data [20] MD results Literature data [21] Literature data [22] Lattice parameter, a (nm)…”

“…5, together with literature data. 18,19,[29][30][31] For NpO 2 , the calculated values of C V þC d are in the experimental data spread. Although the temperature range of the experimental data is limited below about 1,500 K, the high temperature data are obtained from the MD calculation.…”

“…1, together with the experimental data. [18][19][20][21][22] The calculation was performed in the temperature range between 300 and 2,500 K. Although the temperature range of the experimental data is limited below about 1,500 K, the high temperature data are obtained from the MD calculation. The linear thermal expansion coefficient ( lin ) can be evaluated from the variation of the lattice parameter with temperature.…”