Simulation of internal defects in tkx-50 crystals

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• who: Siqi Qiu et al. from the State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, China have published the research work: Simulation of Internal Defects in TKX-50 Crystals, in the Journal: Materials 2023, 16, x FOR PEER REVIEW maximum bond-length values of the defect-free crystals. For the different defective crystal models, the vacant defective crystal model (Model 2) has the smallest bond length of 1.572 u00c5, and the doped defective model (Model 11) has the largest bond length of 2.120 u00c5. The increase in the maximum bond . . .
  

   

  

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