The chemical thermodynamic properties of nuclear materials I. Uranium mononitride

Oetting, F.L.; Leitnaker, J.M.

doi:10.1016/0021-9614(72)90057-2

Cited by 50 publications

(16 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Their data on the heat capacities of UN and PuN agreed with the data in literature [21][22][23] within experimental errors and the heat capacity of NpN was nearly the same as those of UN and PuN.…”

Section: Heat Capacities Of Actinide Nitridessupporting

confidence: 82%

Thermochemical and thermophysical properties of minor actinide compounds

Minato

Takano

Otobe

et al. 2009

Journal of Nuclear Materials

View full text Add to dashboard Cite

Section: Heat Capacities Of Actinide Nitridessupporting

confidence: 82%

Thermochemical and thermophysical properties of minor actinide compounds

Minato

Takano

Otobe

et al. 2009

Journal of Nuclear Materials

View full text Add to dashboard Cite

“…For comparison, the experimental data from Refs. [29][30][31][32][33][34] and the theoretical domain has also been observed in the all-electron calculation [36]. Therefore, one needs to take into account the conduction electrons contributions to the C P for metallic material UN.…”

Section: Thermodynamic Propertiesmentioning

confidence: 99%

Structural, electronic, and thermodynamic properties of UN: Systematic density functional calculations

Wang

et al. 2010

Journal of Nuclear Materials

View full text Add to dashboard Cite

A systematic first-principle study is performed to calculate the lattice parameters, electronic structure, and thermodynamic properties of UN using the local-density approximation (LDA)+U and the generalized gradient approximation (GGA)+U formalisms. To properly describe the strong correlation in the U 5f electrons, we optimized the U parameter in calculating the total energy, lattice parameters, and bulk modulus at the nonmagnetic (NM), ferromagnetic (FM), and antiferromagnetic (AFM) configurations. Our results show that by choosing the Hubbard U around 2 eV within the GGA+U approach, it is promising to correctly and consistently describe the above mentioned properties of UN. The localization behavior of 5f electrons is found to be stronger than that of UC and our electronic analysis indicates that the effective charge of UN can be represented as U 1.71+ N 1.71− . As for the thermodynamic study, the phonon dispersion illustrates the stability of UN and we further predict the lattice vibration energy, thermal expansion, and specific heat by utilizing the quasiharmonic approximation. Our calculated specific heat is well consistent with experiments.

show abstract

“…The specific heat capacity of AmN was not available unfortunately. The specific heat capacities of PuN [7] are nearly equal to those of UN [13] and NpN [14]. In addition, the element of Pu is next to that of Am in periodic table.…”

Section: Resultsmentioning

confidence: 93%