NDLI: Thermodynamic properties of neptunium nitride: a first principles study

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Thermodynamic properties of neptunium nitride: a first principles study

Content Provider	Scilit
Author	Shibata, Hiroki Tsuru, Tomohito Nishi, Tsuyoshi Hirata, Masaru Kaji, Yoshiyuki
Copyright Year	2012
Description	Journal: Journal of Nuclear Science and Technology The thermal and mechanical properties of neptunium nitride (NpN) were investigated by first principles calculations. From the Helmholtz free energy equilibrium lattice constants, thermal expansion coefficients, bulk moduli and specific heat capacities were calculated for temperatures up to 1500 K. The electronic specific heat capacity was also calculated from the electronic density of states at the Fermi energy. The obtained specific heat capacity reproduced the experimental data well. It was thus clarified that the specific heat capacity of NpN consists of the lattice and electronic specific heat capacities and the contribution of the lattice dilatation to the specific heat capacity.
Related Links	http://www.tandfonline.com/doi/pdf/10.1080/00223131.2012.660017?needAccess=true
Ending Page	333
Page Count	6
Starting Page	328
ISSN	00223131
e-ISSN	18811248
DOI	10.1080/00223131.2012.660017
Journal	Journal of Nuclear Science and Technology
Issue Number	3
Volume Number	49
Language	English
Publisher	Informa UK Limited
Publisher Date	2012-02-20
Access Restriction	Open
Subject Keyword	Journal: Journal of Nuclear Science and Technology Neptunium Nitride Specific Heat Capacity Lattice Vibrations First Principles Nitride Fuels
Content Type	Text
Subject	Nuclear and High Energy Physics Nuclear Energy and Engineering

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