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Liu et al. J Mater Inf 2023;3:17 https://dx.doi.org/10.20517/jmi.2023.19 Page 13 of 17

Figure 9. (A) Total electron density of states (TDOS) and (B) Partial electron density of states (PDOS) of (TaZrU)C and (YZrU)C. The
blue vertical dotted lines at 0 eV dictate the Fermi level.

hardness due to its larger volume modulus and thermal conductivity, making it more suitable for
engineering applications. Since the entropy was found to increase significantly with temperature for both
carbides, (YZrU)C becomes more stable at high temperatures due to its greater contribution from entropy.
Therefore, the present work provides some reference value for the optimization and application of future
medium entropy ceramic NTP fuels.

DECLARATIONS
Authors’ contributions
Investigation, Methodology, Calculation, Data curation, Analysis, Writing - original draft, Writing - review
and editing: Liu Y
Conceptualization, Methodology, Investigation, Resources, Writing - original draft, Writing - review and
editing, Supervision, Funding acquisition: Wang WY
Investigation, Data curation, Analysis, Writing - review and editing: Li J
Conceptualization, Methodology, Software: Zhang Y
Conceptualization, Methodology, Software, Data curation, Analysis: Yin J
Conceptualization, Methodology, Supervision, Writing - review and editing: Pan X, Gao X, Chen Y, Song
H, Lu Y
Resources, Writing - review and editing, Project administration, Funding acquisition: Li J

Availability of data and materials
Not applicable.

Financial support and sponsorship
This work was financially supported by the National Defense Basic Scientific Research
(2022-JCKY-JJ-1086). First-principles calculations were carried out on the clusters at Northwestern
Polytechnical University.

Conflicts of interest
All authors declared that there are no conflicts of interest.

Ethical approval and consent to participate
Not applicable.

Consent for publication
Not applicable.