AI Article Synopsis
- USi has been tested as a nuclear fuel, with aluminum (Al) enhancing its oxidation resistance, but there has been no research on its mechanical and thermal properties.
- First principles calculations reveal two stable Al-alloyed structures, sub-USiAl and sub-USiAl(I), which show significant improvements in toughness compared to pure USi.
- The analysis indicates that sub-USiAl has higher mechanical isotropy, while sub-USiAl(I) displays greater mechanical anisotropy, and both compounds exhibit high isotropy in lattice thermal conductivity as temperature increases.
Article Abstract
USi has been tested as a new type of nuclear fuel, and Al has been proven to improve its oxidation resistance. However, there is no research on its anisotropic mechanical and thermal properties. The mechanical and thermal properties of Al-alloyed USi nuclear fuel are calculated on the basis of first principles. Through the phonon dispersion curves, two kinetic stable structures sub-USiAl and sub-USiAl(I) are screened out. It is found that the toughness of these two compounds after alloying are significantly improved compared to USi. The three-dimensional Young's modulus shows that, the sub-USiAl formed by Al alloying in USi maintains a higher mechanical isotropy, while sub-USiAl(I) shows higher mechanical anisotropy, which is consistent with the value of . The calculation result shows that the lattice thermal conductivity of sub-USiAl and sub-USiAl(I) after alloying exhibits high isotropy as the temperature increases.
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|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056832 | PMC |
| http://dx.doi.org/10.1039/d0ra07374a | DOI Listing |
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