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Some important thermal properties of both PuO 2 and α-Pu 2 O 3 have been investigated by atomic simulation between 298K and 1500K using BMH empirical potential and shell potential, including thermal expansion coefficient, entropy, heat capacity and enthalpy. The BMH empirical potential of Pu–O bond in α-Pu 2 O 3 was fitted by GULP program. The calculated values...
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