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Most metals and semiconductors, from the steel in a knife blade to the silicon in a solar panel, are made up of many tiny crystalline grains. The way these grains meet at their edges can have a major ...
etal-organic frameworks (MOFs), covalent-organic frameworks (COFs), and related molecular porous materials have entered a stage where not just the porosity, but other physical attributes are now playi...
Shear transformations play an important role in accommodating plastic strain in some crystalline materials. Specifically, twinning in the case of HCP and TWIP, and martensitic transformations in the c...
We describe a new computational analysis technique to identify lattices and structural defects in large-scale atomistic computer simulations of crystalline materials. Our approach is based on a user-s...

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