Pseudo-Elasticity and Variable Electro-Conductivity Mediated by Size-Dependent Deformation Twinning in Molybdenum Nanocrystals

Deformation twinning merits attention because of its intrinsic importance as a mode of energy dissipation in solids. Herein, through the atomistic electron microscopy observations, the size-dependent twinning mechanisms in refractory body-centered cubic molybdenum nanocrystals (NCs) under tensile loading are shown. Two distinct twinning mechanisms involving the nucleation of coherent and inclined twin boundaries (TBs) are uncovered in NCs with smaller (diameter < approximate to 5 nm) and larger (diameter > approximate to 5 nm) diameters, respectively. Interestingly, the ultrahigh pseudo-elastic strain of approximate to 41% in sub-5 nm-sized crystals is achieved through the reversible twinning mechanism. A typical TB cross-transition mechanism is found to accommodate the NC re-orientation during the pseudo-elastic deformation. More importantly, the effects of different types of TBs on the electrical conductivity based on the repeatable experimental measurements and first-principles calculations are quantified. These size-dependent mechanical and electrical properties may prove essential in advancing the design of next-generation flexible nanoelectronics.

Automated summary

Through atomistic electron microscopy observations, the size-dependent twinning mechanisms in refractory body-centered cubic molybdenum nanocrystals under tensile loading are revealed. Two distinct twinning mechanisms involving the nucleation of coherent and inclined twin boundaries are uncovered in nanocrystals with smaller and larger diameters, respectively. The effects of different types of twin boundaries on electrical conductivity are quantified, providing valuable insights for the design of next-generation flexible nanoelectronics.