Anomalous wrinkle propagation in polycrystalline graphene with tilt grain boundaries

Abstract

Understanding the propagation of dynamic wrinkles in polycrystalline graphene with grain boundaries (GBs) is critical to the practical application of graphene-based nanodevices. Although wrinkle propagation behaviors in pristine graphene (PG)...

Effect of fission defects on tensile strength of U3Si2 Σ5(210) grain boundary from first-principles calculations

“…From our predicted results 52 and previous data, 43 the most energetically favorable occupation of Xe atoms in bulk U 3 Si 2 is on the substitution site rather than the interstitial site. In Fig.…”

“…This is because the size of the V U defect is larger than that of V Si , resulting in a relatively loose atomic arrangement with the weak interatomic bonding on the GB of U 3 Si 2 . 52 This confirms that V U is more likely to segregate to the U 3 Si 2 S5(210) GB, which may be attributed to the stability and lattice disturbance related to the neighbouring structural and chemical environment of defects. In Fig.…”

“…The conclusion of vacancy (or Xe) defects within the U 3 Si 2 grain interior is in consistent with that in bulk supercell. 43,52 Thus, the concurrent segregation of defects can be simply regarded as the aggregation of two individual defect species according to the low equilibrium defect concentration. 43…”