Molecular dynamics simulations of the effects of nanopores on mechanical behavior in the Mg2Sn system

Synergetic Evolution of Sacrificial Bonds and Strain-Induced Defects Facilitating Large Deformation of the Bi2Te3 Semiconductor

“…This also means that because of the sacrifice of the VdW force to partly suppress CL during slipping, the Bi 2 Te 3 lattice can hold integrity and bear more strain. It seems to be a sophisticated evolution against the stated cumulative disadvantage of structure softening that could easily lead to strain localization and brittle failure of TE semiconductors under loads, that is, bond weakening (in local configurations), structural softening,..., further weakening and breakage of bonds, further structural softening,..., fracture. − However, for better understanding of the micromechanics in the Bi 2 Te 3 HBS, the combined information of configuration, energy, and stress is necessary.…”

“…bond weakening (in local configurations), structural softening, …, further weakening and breakage of bonds, further structural softening, …, fracture. [29][30][31][32][33] However, for better understanding of the micromechanics in Bi2Te3 HBS, the combined information of configuration, energy and stress is necessary.…”

“…24 Other than the introduction of various defects and external conditions, the welltailored deformability should be related to the layered HBS especially VdW. According to our previous researches, though weak VdW is mainly responsible for large deformation and fracture of Bi2Te3 lattice [25][26][27][28] as the cumulative disadvantage of structure softening with applied loads found in other TE semiconductors, [29][30][31][32][33] it can also be greatly strengthened to form a new covalent Te1-Te1 bond and triple the shear strength via nanotwinning. 34 Moreover, inspired by some peculiar behaviors dominated by weak but reversible dynamic bonding, namely the dislocation-controlled deformation of extraordinarily ductile α-Ag2S semiconductor 15,35 and the reversible interlayer separation of flexible MoS2 sheet, 36 this intramolecular dispersion force should belong to the concept of sacrificial bonds (SB) concerned in artificial polymeric and natural materials with excellent mechanical properties.…”

“…Other than the introduction of various defects and external conditions, the well-tailored deformability should be related to the layered HBS, especially VdW forces. According to our previous research studies, although weak VdW forces are mainly responsible for large deformation and fracture of the Bi 2 Te 3 lattice − as the cumulative disadvantage of structure softening with applied loads found in other TE semiconductors, − it can also be greatly strengthened to form a new covalent Te1–Te1 bond and triple the shear strength via nanotwinning . Moreover, inspired by some peculiar behaviors dominated by weak but reversible dynamic bonding, namely, the dislocation-controlled deformation of the extraordinarily ductile α-Ag 2 S semiconductor , and the reversible interlayer separation of the flexible MoS 2 sheet, this intramolecular dispersion force should belong to the concept of sacrificial bonds (SBs) concerned in artificial polymeric and natural materials with excellent mechanical properties. − Because of the nature of adaptability and self-healing, the SBs in these hierarchical structures can break and reform dynamically during deformation, providing a microscopic, reversible, energy-dissipation mechanism to strengthen/toughen the materials. , Because both SBs and strain-induced defects involve VdW breakage in the Bi 2 Te 3 HBS, is there any sophisticated interaction between them accounting for the stated improvement of mechanical performance? , …”