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               42.  Xu, D.; Zhang, Q.; Huo, X.; Wang, Y.; Yang, M. Advances in data-assisted high-throughput computations for material design. MGE.
                  Adv. 2023, 1, e11. DOI
               43.  Zhang, S.; Wang, W. Y.; Wang, X.; et al. Large language models enabled intelligent microstructure optimization and defects
                  classification of welded titanium alloys. J. Mater. Inf. 2024, 4, 34. DOI
               44.  Carrete, J.; Li, W.; Mingo, N.; Wang, S.; Curtarolo, S. Finding unprecedentedly low-thermal-conductivity half-heusler semiconductors
                  via high-throughput materials modeling. Phys. Rev. X. 2014, 4, 011019. DOI
               45.  Li, Y.; Kowalski, P. M.; Beridze, G.; Birnie, A. R.; Finkeldei, S.; Bosbach, D. Defect formation energies in A 2 B 2 O 7  pyrochlores. Scr.
                  Mater. 2015, 107, 18-21. DOI
               46.  Wang, Y.; Perdew, J. P. Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling. Phys.
                  Rev. B. Condens. Matter. 1991, 44, 13298-307. DOI PubMed
               47.  Amari, S.; Daoud, S. Structural phase transition, elastic constants and thermodynamic properties of TmAs: a DFT study. Comput.
                  Condens. Matter. 2022, 33, e00764. DOI
               48.  Söderlind, P.; Turchi, P. E.; Landa, A.; Lordi, V. Ground-state properties of rare-earth metals: an evaluation of density-functional theory.
                  J. Phys. Condens. Matter. 2014, 26, 416001. DOI PubMed
               49.  Loschen, C.; Carrasco, J.; Neyman, K. M.; Illas, F. First-principles LDA+U and GGA+U study of cerium oxides: dependence on the
                  effective U parameter. Phys. Rev. B. 2007, 75, 035115. DOI
               50.  Singh, P.; Del Rose, T.; Vazquez, G.; Arroyave, R.; Mudryk, Y. Machine-learning enabled thermodynamic model for the design of new
                  rare-earth compounds. Acta. Mater. 2022, 229, 117759. DOI
               51.  Birch, F. Finite elastic strain of cubic crystals. Phys. Rev. 1947, 71, 809-24. DOI
               52.  Chung, D. H.; Buessem, W. R. The Voigt-Reuss-Hill approximation and elastic moduli of polycrystalline MgO, CaF 2 , β-ZnS, ZnSe, and
                  CdTe. J. Appl. Phys. 1967, 38, 2535-40. DOI
               53.  Hill, R. The elastic behaviour of a crystalline aggregate. Proc. Phys. Soc. A. 1952, 65, 349-54. DOI
               54.  Wan, C.; Zhang, W.; Wang, Y.; et al. Glass-like thermal conductivity in ytterbium-doped lanthanum zirconate pyrochlore. Acta. Mater.
                  2010, 58, 6166-72. DOI
               55.  To, T.; Sørensen, S. S.; Stepniewska, M.; et al. Fracture toughness of a metal-organic framework glass. Nat. Commun. 2020, 11, 2593.
                  DOI PubMed PMC
               56.  Griffith, A. A. VI. The phenomena of rupture and flow in solids. Philos. Trans. A. Math. Phys. Eng. Sci. 1921, 221, 163-98. DOI
               57.  Zhang, Y.; Wang, W. Y.; Li, P.; et al. Hook’s law scaled broken-bond model for surface energy: from metals to ceramics. Scr. Mater.
                  2024, 244, 116026. DOI
               58.  Niu, H.; Niu, S.; Oganov, A. R. Simple and accurate model of fracture toughness of solids. J. Appl. Phys. 2019, 125, 065105. DOI
               59.  Mazhnik, E.; Oganov, A. R. A model of hardness and fracture toughness of solids. J. Appl. Phys. 2019, 126, 125109. DOI
               60.  Wang, J.; Zhang, F.; Lian, J.; Ewing, R. C.; Becker, U. Energetics and concentration of defects in Gd 2 Ti 2 O 7  and Gd 2 Zr 2 O 7  pyrochlore at
                  high pressure. Acta. Mater. 2011, 59, 1607-18. DOI
               61.  Shamblin, J.; Tracy, C. L.; Palomares, R. I.; et al. Similar local order in disordered fluorite and aperiodic pyrochlore structures. Acta.
                  Mater. 2018, 144, 60-7. DOI
               62.  Zhang, Y.; Ren, K.; Wang, W. Y.; et al. Smart design A 2 Zr 2 O 7 -type high-entropy oxides through lattice-engineering toughening strategy.
                  npj. Comput. Mater. 2024, 10, 1462. DOI
               63.  Yokogawa, Y.; Yoshimura, M. Formation and stability regions of the high‐temperature fluorite‐related phase in the R 2 O 3 ‐Ta 2 O 5  system
                  (R = La, Nd, Sm, Ho, Er, and Yb). J. Am. Ceram. Soc. 1997, 80, 1965-74. DOI
               64.  Labrincha, J. A.; Frade, J. R.; Marques, F. M. B. La 2 Zr 2 O 7  formed at ceramic electrode/YSZ contacts. J. Mater. Sci. 1993, 28, 3809-15.
                  DOI
               65.  Su, L.; Huyan, H.; Sarkar, A.; et al. Direct observation of elemental fluctuation and oxygen octahedral distortion-dependent charge
                  distribution in high entropy oxides. Nat. Commun. 2022, 13, 2358. DOI PubMed PMC
               66.  Cui, K.; Sun, T. L.; Liang, X.; et al. Multiscale energy dissipation mechanism in tough and self-healing hydrogels. Phys. Rev. Lett. 2018,
                  121, 185501. DOI
               67.  Cui, K.; Ye, Y. N.; Sun, T. L.; et al. Effect of structure heterogeneity on mechanical performance of physical polyampholytes hydrogels.
                  Macromolecules 2019, 52, 7369-78. DOI
               68.  Roth, A. E. Lloyd Shapley (1923-2016). Nature 2016, 532, 178. DOI PubMed
               69.  Zhao, X.; Guo, L.; Wang, C.; Zhang, Y.; Ye, F. Effect of phase structure evolution on thermal expansion and toughness of
                  (Nd 1-x Sc x ) 2 Zr 2 O 7  (x = 0, 0.025, 0.05, 0.075, 0.1) ceramics. J. Mater. Sci. Technol. 2017, 33, 192-7. DOI
               70.  Hua, Y.; Jiang, B.; Chen, R.; Cao, J.; Shuai, W.; Li, R. Enhanced physical properties of TiSi 2  doped Gd 2 Zr 2 O 7  ceramic for thermal barrier
                  coatings. Mater. Res. Express. 2019, 6, 056547. DOI
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