We perform a first-principles computational tensile test on PuO_(2)based on density-functional theory within a local density approximation(LDA)+U formalism to investigate its structural,mechanical,magnetic and intrinsic bonding properties in four representative directions:[001],[100],[110]and[111].The stress-strain relations show that the ideal tensile strengths in the four directions are 81.2,80.5,28.3 and 16.8 GPa at strains of 0.36,0.36,0.22 and 0.18,respectively.The[001]and[100]directions are prominently stronger than the other two directions since more Pu-0 bonds participate in the pulling process.By charge and density of state analysis along the[001]direction,we find that the strong mixed ioni%ovalent character of the Pu-0 bond is weakened by tensile strain and PuO_(2)will exhibit an insulator-to-metal transition after tensile stresses exceeding about 79 GPa.
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机译:HidrelétricasnoRio madeira-RO:tenõessobeo o doterritórioedos recursos naturaisnaamazôniaHydélectriquesdanslarivièremadeira-RO:les tensions sur l'usage du territoire et des les ressources naturelles d'amazonie Hydroelectric at the madeira River:tensions关于亚马逊地区的使用和自然资源