Atomic Group Rotation Mechanism for {10\bar{1}2} Twinning of HCP Crystal Materials

Migration mechanism for atomic hydrogen in porous carbon materials

To explain the fast kinetics of H in porous carbon, we propose that the migration relies on H hopping from a carbon nanotube (CNT) to another. Using density functional theory, we have found that the barrier for H hopping becomes smaller than that for diffusion along a tube for certain CNT separations, decreasing to less than 0.5 eV for separations of 3.1 Å. Such significant reduction occurs irr...

Deformation twinning in nanocrystalline materials

Nanocrystalline (nc) materials can be defined as solids with grain sizes in the range of 1–100 nm. Contrary to coarse-grained metals, which become more difficult to twin with decreasing grain size, nanocrystalline face-centered-cubic (fcc) metals become easier to twin with decreasing grain size, reaching a maximum twinning probability, and then become more difficult to twin when the grain size ...

A mechanism for crystal twinning in the growth of diamond by chemical vapour deposition.

A model for the formation of crystal twins in chemical vapour deposited diamond materials is presented. The twinning mechanism originates from the formation of a hydrogen-terminated four carbon atom cluster on a local {111} surface morphology, which also serves as a nucleus to the next layer of growth. Subsequent growth proceeds by reaction at the step edges with one and two carbon atom-contain...

Spinodal twinning of a deformed crystal

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The Molecular Symmetry Group Theory for Trimethylamine-BH3 Addend(BH3 Free of Rotation)